smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H]1[C@@]2(O)C[C@]34CC(=O)O[C@]3(C[C@H](OC(=O)c3ccccc3)[C@@H]4C)[C@@]1(C)CO2 2356405193 KDOWKKIVVPYLEG-DWMYMSHZSA-N 386.444 2.689 0 1 GFAF CNC(=O)c1coc([C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 100757008 XRRNUAXUYMWVSW-XPYUAMARSA-N 384.432 2.555 0 1 GFAF CC(=O)Nc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)cc1 2356299912 QIELWXWKCXEVGB-SJLPKXTDSA-N 383.427 2.655 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CN(C)CC[C@H]1c1c(O)cc(O)c2c(=O)cc(C)oc12 2356566337 DSBBHVSUDLJUOE-CXAGYDPISA-N 387.432 2.810 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=CC4=C5C=CC(OC)=C[C]5NC4=C3C[C@H]12 2356867194 ASAUPPHTXKGODW-DQYPLSBCSA-N 379.436 2.671 0 1 GFAF O=C(O)/C=C1\CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc21 82157035 RFMGKJNJIRXRAF-UXBLZVDNSA-N 383.347 2.776 0 1 GFAF COc1cc(Cc2cnc(N)nc2N)ccc1OCC(=O)Nc1ccc(C)cc1 45195162 NDBYZVNVQUUVOU-UHFFFAOYSA-N 393.447 2.566 0 1 GFAF C/C=C1/CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12 238735098 YRBCHUQDMNLZSV-DCTUJPBZSA-N 396.487 2.586 0 1 GFAF C[C@@H]1CC(=O)O[C@H]2C[C@H]3[C@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@@H]21 255222255 KBMHBZPVMGJISK-XOLKQWSPSA-N 390.520 2.718 0 1 GFAF NC(=O)c1c(N)n(-c2cccc(NC(=O)C3CC3)c2)c2nc3ccccc3nc12 299824243 AGFAHKSTBACDOB-UHFFFAOYSA-N 386.415 2.603 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnncc2[nH]1 586939051 XXSMTESUWURQFA-ZDUSSCGKSA-N 391.522 2.742 0 1 GFAF COc1ccc(-c2nnc(-c3ccc4nc([C@]5(N)CCOC5)[nH]c4c3)o2)cc1 587248174 HDNWIJVSYSDFFY-FQEVSTJZSA-N 377.404 2.863 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C2)C3=O 587447501 AOQPZJCXTKQUSO-OXJNMPFZSA-N 387.457 2.608 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)([C@H](C)/C=C/C(=O)O)N1 587825221 BQHRJWGVIZHDJK-SYVGLHIISA-N 386.217 2.679 0 1 GFAF C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 11422463 YNCNZXJRRRALAJ-CWTRNNRKSA-N 379.840 2.763 0 1 GFAF O=C(NCc1cn2ccccc2n1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12439072 JYNKIGMRSRWUKT-INIZCTEOSA-N 380.423 2.528 0 3 GFAF Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCC[C@H](C)[C@H]1C 12894983 YHXGYQKOYWFHJD-GMBSWORKSA-N 394.537 2.570 0 1 GFAF C[C@@H](N[C@@H](c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1 13440516 FBOPVIWMYMFESR-BMLIUANNSA-N 375.321 2.568 0 1 GFAF c1cn(C[C@H]2C[C@H]2Cn2ccc(=[N+]3CCCCC3)cc2)ccc1=[N+]1CCCCC1 169718374 LIWBUIZLUCWSOV-ZRZAMGCNSA-N 392.591 2.538 0 1 GFAF COc1ccccc1-c1ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc1 166226536 KNWZFVOURZCFAD-MRXNPFEDSA-N 385.416 2.729 0 1 GFAF Cc1c(N2CC[C@H](NC3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520859 YKHKYIPHWVOAPA-AWEZNQCLSA-N 385.439 2.653 0 1 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H]1CCCC[C@@H]1O 29326033 KJZIHOYWZYDQEJ-IRXDYDNUSA-N 383.920 2.676 0 1 GFAF COc1ccc2c(c1)OC[C@@H]1[C@@H](c3ccccc3)[C@]3(C)C(=O)N[C@H](C)C(=O)N3[C@@H]21 61931341 OOJQSDAVSZGWDX-YCXBTAOTSA-N 392.455 2.648 0 3 GFAF O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)NC[C@@H]1CCCO1 20579266 IBAFRZSYVFWODQ-INIZCTEOSA-N 381.432 2.796 0 1 GFAF CN(C(=O)CCCOc1ccc2c(c1)C(=O)N1CCN=C1N2)C1CCCCC1 26937144 DVSWFILVSHFEDT-UHFFFAOYSA-N 384.480 2.874 0 1 GFAF COc1ccc2c3n(c(=O)cc2c1OC)CCc1cc2c(cc1C3=O)OCO2 13434450 JVVLGQWLLDKJIS-UHFFFAOYSA-N 379.368 2.535 0 1 GFAF biogenic COC(=O)c1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 71318811 SHXAAVWRLZPGKQ-GOSISDBHSA-N 391.471 2.868 0 1 GFAF CCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(c23)C1=O 96273416 IKXSHOOFJBVKNK-UHFFFAOYSA-N 382.508 2.799 0 1 GFAF CC(C)NC(=O)N1[C@H](CN(C)C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1CO 95895934 ALCJIKHKHIBHCU-QHAWAJNXSA-N 395.503 2.706 0 1 GFAF O=C1NCCN1CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144860309 QEQKFXXVECVKNK-SFHVURJKSA-N 378.350 2.869 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(OC)c3)cc2)[C@H]1CNC(C)=O 95668553 UKKXAUROBSAGGY-MQSCRBSSSA-N 396.487 2.564 0 1 GFAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccc(C)c(F)c1)C2 261178903 VORGPFXKYVZSDW-OSYLJGHBSA-N 377.460 2.605 0 1 GFAF CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400519 QGNFWHQOSHIXFH-JLTOFOAXSA-N 377.437 2.824 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587134880 PVFDBNSXWXACBS-UHFFFAOYSA-N 377.344 2.722 0 1 GFAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(O)nc(=N)[nH]c2[nH]1 587033948 CRWQRSRUKPSXHD-JTQLQIEISA-N 382.449 2.957 0 1 GFAF CCOC(=O)CNc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587227825 ZLCAMIQPVSMRTO-UHFFFAOYSA-N 376.214 2.709 0 1 GFAF CCOc1n[nH]c(-c2nc3nc(Br)c[nH]c-3n2)c1Br 586979961 ZHFHSEMGHGUEAE-UHFFFAOYSA-N 388.023 2.618 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1[C@H](CC3)CN[C@@H]1C(=O)O 586989644 NSCCMLXANLZYCS-KGHSUGRISA-N 386.407 2.854 0 1 GFAF COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445527 ZZOMNXQBVLBLHW-OPAMFIHVSA-N 396.395 2.688 0 1 GFAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cnn(-c3cccnc3)c2)N1 962964171 JKUQMLVHYGFALP-YOEHRIQHSA-N 390.777 2.887 0 1 GFAF COC(=O)/C=C\c1cc(OC)c2c(c1)[C@@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 15153000 DPDJZJNYBSGDHT-ALBYTZFZSA-N 386.400 2.805 0 1 GFAF endogenous,in-man CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(Br)cn3)C2)cc1 169694398 CBKNHQRILNEGAA-NSHDSACASA-N 391.269 2.704 0 1 GFAF O=C(CO)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 200382464 RPYBHCBNJHSWTL-SFHVURJKSA-N 376.384 2.830 0 1 GFAF Cc1cc(C)c(CNc2[nH]c(=N[C@@H](C)[C@@H](C)O)nc3c2ncn3C(C)C)cn1 1857614741 PFRMQZGBTCACGO-LSDHHAIUSA-N 383.500 2.634 0 1 GFAF O=C(C1CCN(c2cnccc2-n2cc(C3CC3)cn2)CC1)N1CC[C@H](F)C1 1857621301 IASZVVYJBATEHI-SFHVURJKSA-N 383.471 2.932 0 1 GFAF O=C(NCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1 1857640738 WJTVOECAMUQNOG-UHFFFAOYSA-N 379.291 2.940 0 1 GFAF O=S1(=O)CCCCN1C[C@H](O)Cn1c2cc(F)ccc2c2c(F)cccc21 148399239 VADDOOJKRUUUMQ-AWEZNQCLSA-N 394.443 2.859 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 2498795 UCDINOGXVWLYJF-CQSZACIVSA-N 390.596 2.987 0 1 GFAF COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(N(C)C)nc32)cc1 4239047 RDFSQDHZZOIPQG-UHFFFAOYSA-N 379.445 2.979 0 1 GFAF O=C(Nc1ccc(F)cc1)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 6877486 KHFAATCVDDMWLH-LJQANCHMSA-N 395.434 2.801 0 1 GFAF C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 8679996 SHIBSTMRCDJXLN-UZCPIDRJSA-N 390.520 2.575 0 3 GFAF world CN(Cc1cccnc1)Cc1cccc(-c2nc([C@H]3CCOC3)cc(=O)[nH]2)c1 23145958 AZDUOVFWGCOJTH-IBGZPJMESA-N 376.460 2.968 0 1 GFAF O=C(c1n[nH]c2ccncc12)N1CCc2nc(COc3ccccc3)oc2C1 113245576 GCLBWZDJXWXHIS-UHFFFAOYSA-N 375.388 2.723 0 1 GFAF COc1ccccc1CNC(=O)NC1CCN(Cc2ccc3c(c2)OCO3)CC1 28459479 DWVWEWJZCJHORM-UHFFFAOYSA-N 397.475 2.888 0 1 GFAF O=C1CO[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2N1Cc1ccc(F)cc1 2356452225 JMLWGMAKFOPVHH-RTBURBONSA-N 376.378 2.716 0 1 GFAF Oc1nc2cccc3c2nc1-c1cccc2c(O)n(nc12)CCN1CC[C@@H](C1)O3 36188412 XKBVYQGZLBOXHF-LBPRGKRZSA-N 389.415 2.524 0 1 GFAF O=C(CO[C@@H](c1ccccc1)c1c(Cl)cncc1Cl)N1CCNCC1 45325086 KSAGVTKIVFWALZ-SFHVURJKSA-N 380.275 2.926 0 1 GFAF Cc1c(C(=O)N2Cc3nnn(-c4ccn[nH]4)c3C[C@H]2C)cccc1C(F)(F)F 222041350 DFBQVWUVWWXOKB-SNVBAGLBSA-N 390.369 2.905 0 1 GFAF O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)c1ccc(Cl)cc1Cl 195359483 WGFHSIVDHDSQFC-DHKWMEDESA-N 377.227 2.691 0 1 GFAF CC[C@H](C)c1nc2nc(N3CCC[C@H](C(=O)N(CC)CC)C3)ccc2[nH]c1=O 82231551 QLKRJSKQNKYLEQ-GJZGRUSLSA-N 385.512 2.916 0 1 GFAF CC(C)[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 82206491 DRMFHMLRJXXWPR-GOSISDBHSA-N 397.523 2.896 0 1 GFAF CC(C)(C(=O)NCCc1ccccn1)n1cc(-c2ccc3c(c2)OCO3)cn1 618008096 WQQJTMFKBVYUGO-UHFFFAOYSA-N 378.432 2.768 0 1 GFAF COc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(S(C)(=O)=O)cc4)C3)nc2c1 51076815 WYHCQLWYRFUULF-OAHLLOKOSA-N 385.489 2.965 0 1 GFAF biogenic Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C1)N3)O2 587399457 JAHJCVFSBMOJRM-UDQVXKKJSA-N 387.480 2.653 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCS(=O)(=O)CC3)cc1)O2 587409791 JNWUZYUFXRDNOR-LJQANCHMSA-N 386.473 2.519 0 1 GFAF Oc1nc(S)nc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587002824 ORBRICZDRSMEBO-UHFFFAOYSA-N 391.254 2.702 0 1 GFAF CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453951 QKEQFXFKIKFDMZ-OPAMFIHVSA-N 380.396 2.836 0 1 GFAF Oc1nc(O)c(I)c(-c2nc3cccc(Cl)c3[nH]2)n1 587181914 HWFLLFCGDJGZCJ-UHFFFAOYSA-N 388.552 2.689 0 1 GFAF N=c1[nH]ccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12 586944716 UWPVALILHMLBLM-UHFFFAOYSA-N 399.501 2.620 0 1 GFAF CN1C(=O)C[C@H]2CN[C@@H](c3cccc(CN4CCOCC4)c3)c3cccc1c32 963023905 IZYAVYOMXRVNPM-MBSDFSHPSA-N 377.488 2.662 0 1 GFAF COc1ccccc1CC(=O)NC[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 11882141 AMNOWSHJXRIBSI-GOSISDBHSA-N 393.418 2.954 0 1 GFAF Cc1ccc(NC(=O)c2[nH]cnc2C(=O)N2CCN(c3ccccc3)CC2)cc1 15952268 VGAQYJZNYDDVIZ-UHFFFAOYSA-N 389.459 2.933 0 3 GFAF CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)CCCC(=O)O)c3ccccc23)S1 169319793 WSCZWFKCUPORQB-APPDUMDISA-N 387.461 2.857 0 1 GFAF O=C(c1cnn(-c2nc(O)c3sccc3n2)c1)N1CCC(C(F)(F)F)CC1 1857598128 HEGCULOVFJZZOY-UHFFFAOYSA-N 397.382 2.997 0 1 GFAF N[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)C1 103284678 MQDGJABWEBWQLZ-LLVKDONJSA-N 385.370 2.505 0 1 GFAF CN(C)c1ccc(CC2(CCCc3ccccc3)C(=O)NC(=O)NC2=O)cc1 103235813 YMKGUMYQPFERLG-UHFFFAOYSA-N 379.460 2.670 0 1 GFAF C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(Cl)c(N4CCN(C)CC4)cc3n21 27524330 FPEYRRHTPROXFV-VIFPVBQESA-N 379.869 2.729 0 1 GFAF CCOc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3cccc(F)c3)c2c1 114345384 GWUYLDMVDQHMJN-GOSISDBHSA-N 397.454 2.981 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356537612 YTKUUOVYXFLJGW-YAULYFEXSA-N 378.465 2.897 0 1 GFAF Cc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3ncnc(N4CCOCC4)c32)cc1 61959678 BPIKNRIPVICKFE-GOSISDBHSA-N 395.507 2.995 0 3 GFAF Nc1ccc2oc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2c1 84652466 LZZDXJOCYMXGCD-UHFFFAOYSA-N 375.436 2.842 0 1 GFAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCCOc1ccccc1 82212922 HDFNXTFFKMQQRW-UHFFFAOYSA-N 390.491 2.998 0 1 GFAF CCOCCn1nc(CC)c2nc(N3CCNCC3)nc(Nc3ccccc3)c21 49072526 XIEAYYVLHOZOEO-UHFFFAOYSA-N 395.511 2.578 0 1 GFAF C[C@H](CS(=O)(=O)Nc1ccccc1S(N)(=O)=O)c1ccc(Cl)cc1 148637660 SVCVCZULARUJMJ-LLVKDONJSA-N 388.898 2.533 0 1 GFAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3cccnc3)C2)N1Cc1ccncc1 95667775 SKIWLGNEMXYBPI-DHIUTWEWSA-N 386.499 2.692 0 1 GFAF CC(C)[C@@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 621477871 SCJDOJLKHXWESV-CQSZACIVSA-N 393.431 2.675 0 1 GFAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c(F)c1 587145054 SIVJGFHGFRSHOX-UHFFFAOYSA-N 379.351 2.951 0 1 GFAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1 587147160 JBAJIYIEVREASJ-UHFFFAOYSA-N 395.350 2.651 0 1 GFAF NC(=O)C[C@]1(C(=O)O)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587102969 BZJHYIRSCJVQPG-HSZRJFAPSA-N 386.407 2.980 0 1 GFAF NC(=O)NCCC[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587260570 ZULOGACDUDLUQK-QMMMGPOBSA-N 394.195 2.793 0 1 GFAF COc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809601 RCPDMLJKLZZMGA-XTZNXHDOSA-N 396.256 2.685 0 1 GFAF COC(=O)C1=C[C@]2(N[C@@H](C)Cc3c(OC)ccc(OC)c32)c2ccccc2O1 963639592 VUNOYOAENQJIMJ-XMHCIUCPSA-N 381.428 2.931 0 1 GFAF CC(=O)c1ccc2c(c1)[C@@](C)([C@H](C)CO)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962622629 CSVCZJKGTFCELN-LGZJRCCHSA-N 391.464 2.979 0 1 GFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@@H]3CCOC3)c2cn1)c1ccccc1 1772577062 OCWIGDKHRXGCKW-RHSMWYFYSA-N 397.435 2.635 0 1 GFAF O[C@H]1c2ccc(F)cc2C[C@H]1N1CCC(O)(c2cccc3c2OCCO3)CC1 13471794 CNUDKIHAKDLGRP-QUCCMNQESA-N 385.435 2.539 0 1 GFAF OC[C@@H]1[C@H](O)C[C@H](NC2CCCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356288996 NRZATCAWOURNJI-YXYSEUPNSA-N 385.483 2.715 0 1 GFAF O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)NCc1cccs1 20574353 VCZWIYLKAGUZGX-UHFFFAOYSA-N 384.392 2.569 0 1 GFAF CC(C)C(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 28104620 WXJKTTVGVITSOL-BSJHOTPDSA-N 395.499 2.862 0 1 GFAF C=C1C(c2cc3c(cc2C(=O)OC)OCO3)=[N+](C)CCc2ccc3c(c21)OCO3 33832243 XIWJSLJOQFQKRN-UHFFFAOYSA-N 394.403 2.632 0 1 GFAF biogenic,in-vitro CC(C)(C)OC(=O)N1CCC[C@H](OC[C@H](O)CN2CCc3ccccc3C2)C1 219751559 FUBQOXCXAVTJNG-UXHICEINSA-N 390.524 2.822 0 1 GFAF COC[C@H]1NS(=O)(=O)c2ccc(Br)cc2O[C@@H]1c1ccccc1 72139549 RJPQTKBHZHQVFS-CZUORRHYSA-N 398.278 2.876 0 1 GFAF CCCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(F)cc2)n1 82140364 CZJLPSAXQGFQGV-UHFFFAOYSA-N 399.470 2.799 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(C)=O 95894966 LLORUJGLHNUMBM-PWRODBHTSA-N 385.508 2.638 0 1 GFAF O=C(c1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 95793928 QHMZMKOJUGPHNS-LEWJYISDSA-N 380.463 2.891 0 1 GFAF Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C2CCC(F)(F)CC2)CC1 146740069 IMXAAXJRLKLQGB-UHFFFAOYSA-N 392.450 2.654 0 1 GFAF CCCNC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O 95894859 BRJDXNPJZHGCOW-HBMCJLEFSA-N 385.508 2.638 0 1 GFAF Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1 653698664 XYDFYDIKOFTSOJ-UHFFFAOYSA-N 381.779 2.521 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)N(CO)c1ccccc12 587586809 JWSWGKWUZWEVEB-AVRDEDQJSA-N 389.363 2.546 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2cnn(C)c2)N1 587765407 TUMCUZWRIAMMGL-NTBJVBTPSA-N 394.244 2.740 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587616616 LBFCSLOKQDJEHG-LFRPXUGBSA-N 384.384 2.692 0 1 GFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 586951278 VVJJQRTZYJEFFX-UHFFFAOYSA-N 395.462 2.627 0 1 GFAF CCN(CC)c1ccc(-c2nn(C(=S)NC)c(=O)c3ccccc23)c(O)c1 587669298 HRRDLHWLGPLJEX-UHFFFAOYSA-N 382.489 2.968 0 1 GFAF CCOC(=O)CCC[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963491963 OKZBBPNJQRIGBI-SUMWQHHRSA-N 389.370 2.791 0 1 GFAF CS(=O)(=O)N[C@@H]1CCCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O 224482543 JAEZOGFUSGUUOU-MRXNPFEDSA-N 391.880 2.822 0 1 GFAF CCc1ncc(CO)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1 13832820 XABYKRSETSSJFK-UHFFFAOYSA-N 387.447 2.991 0 1 GFAF CC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1OC[C@H](O)CNC(C)C 169334083 OVGMVSSQEGZDKY-LJQANCHMSA-N 384.476 2.808 0 1 GFAF CO[C@]12C=C[C@@]3(C[C@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 169716257 VAGUZCYSBGOWIA-BDMXJLKQSA-N 395.499 2.528 0 1 GFAF c1cc(C2=NCCN2)ccc1OCCCCOc1ccc(C2=NCCN2)cc1 1552540 ZOUKRKJTIHLLOP-UHFFFAOYSA-N 378.476 2.624 0 1 GFAF CC(C)Nc1nc(-c2ccc(CN3CCOCC3)cc2)cc2ncn(C)c(=O)c12 115625240 YLEPGAHVWJVDAC-UHFFFAOYSA-N 393.491 2.648 0 1 GFAF O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)c2cccs2)on1 61904586 SMTFUJZLNNSURQ-INIZCTEOSA-N 397.456 2.880 0 3 GFAF COc1ccccc1OC[C@@H](O)CN1CCC(NC(=O)Nc2ccccc2)CC1 27984186 RBICHOPENORJGW-IBGZPJMESA-N 399.491 2.721 0 1 GFAF CN(N)c1nc(N)nc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc12 26266570 BFBKPTLFAUFSCX-UHFFFAOYSA-N 379.445 2.508 0 1 GFAF CC(C)C[C@@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1Cc2ccccc2C1=O 2356642280 BLNSUYWFPRNLJY-CTNGQTDRSA-N 380.488 2.777 0 1 GFAF COc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)O[C@H](C(C)(C)O)C2 32296553 GAUFLNQQCSXBPK-SFHVURJKSA-N 384.384 2.954 0 1 GFAF endogenous,in-man CN(CCO)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40953730 VQSDDUYZRBWYQQ-UHFFFAOYSA-N 392.438 2.604 0 1 GFAF COc1ccccc1N1CCN(c2c(C)c3c(O)cc(O)cc3oc2=O)CC1 45369286 CUZYHCASSNUGNA-UHFFFAOYSA-N 382.416 2.848 0 1 GFAF CN(Cc1cn(C[C@H](O)COC(=O)c2ccccc2)nn1)CC1CCCCC1 82156725 JZCNPDLDTLMHPT-FQEVSTJZSA-N 386.496 2.508 0 1 GFAF CCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 253917125 GILYTJDQDXXBEX-HAGLATJSSA-N 381.472 2.616 0 1 GFAF O=C(O)c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 299852857 YIRABMVNDYKHOM-UHFFFAOYSA-N 383.795 2.581 0 1 GFAF COc1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1OC1CCN(C(C)C)CC1 299850536 UWMFZKPVFGHYGU-IYARVYRRSA-N 390.524 2.980 0 1 GFAF COc1ccc(-n2cc(CN3CCN(c4noc5ccccc45)CC3)nn2)cc1 653714960 HUUDXUONJWEXGJ-UHFFFAOYSA-N 390.447 2.739 0 1 GFAF COC(=O)C[C@@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582609 QEMCPYHCPVKTOW-NQIIRXRSSA-N 394.383 2.546 0 1 GFAF O=C1CSC[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)N1 587042826 HLXLCZWOOAEYEO-SECBINFHSA-N 391.088 2.992 0 1 GFAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c[nH]c(=N)[nH]c-3n2)c1 587147182 KDETWQKSAKKPDZ-UHFFFAOYSA-N 379.351 2.897 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1ccccc1N1CCN(C(C)=O)CC1)[C@@H](C2)C3=O 587445898 YTYDHFUFPULINK-FDDCHVKYSA-N 392.455 2.852 0 1 GFAF COC(=O)[C@@H]1C[C@]2(CCN1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587762806 UTZWKLWNHNRRAY-SVKFGRERSA-N 385.277 2.585 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587005933 AGHNODNNMIGAKN-UHFFFAOYSA-N 391.250 2.893 0 1 GFAF NS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587608464 QVAVPJAOLFCXHP-XLIONFOSSA-N 397.408 2.743 0 1 GFAF O=C(O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1 587367291 VQYAMPBYIYLKIV-UHFFFAOYSA-N 390.193 2.883 0 1 GFAF COc1ccc2c(c1)[C@](CS(C)(=O)=O)(c1ccc(F)cc1)N[C@@H]1CC[C@H]21 962998320 VBRFBVGIJRZUIL-RLLQIKCJSA-N 375.465 2.972 0 1 GFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1ccccc1-c1nn3nnnc3nc12 962946854 MBBYBOVSQDRGOQ-IPQOISQHSA-N 394.442 2.592 0 1 GFAF Cc1ccc2nc(C(=O)N[C@@H](Cn3ccnc3)C(=O)OCC(C)C)sc2c1 1772593823 JNDFNXOHFQNSCY-HNNXBMFYSA-N 386.477 2.799 0 1 GFAF Nc1ccc2c(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc(O)c2n1 1772617478 XYTYUEZLMAGJFC-UHFFFAOYSA-N 375.837 2.927 0 1 GFAF CNC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1 5834209 BOPMLFWOGKLFMW-GFCCVEGCSA-N 375.444 2.640 0 1 GFAF CCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(OC(C)C)cc2)C3)CC1 21262412 HXNCLZJMLBZPEN-UHFFFAOYSA-N 395.551 2.964 0 1 GFAF Cn1cc(-c2nn(Cc3ccc(C(=O)NC4CC4)cc3)c(=O)c3ccccc23)cn1 1857756700 ZAEQBASSUJHVJX-UHFFFAOYSA-N 399.454 2.738 0 1 GFAF CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=S)N1CCCC1 5716520 CSAAUMYWSFRJKT-MOPGFXCFSA-N 389.565 2.688 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@@H](CO)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 13312012 ZHSWZGYEMVSUSM-XOKHGSTOSA-N 380.444 2.969 0 1 GFAF biogenic O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](CO)N3CC(F)(F)F 29044750 SVKIYJFOWYPEHJ-SSDOTTSWSA-N 382.260 2.669 0 1 GFAF CCc1ccc(CC(C)(C)NC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)cc1 45245509 YGZMWTZAPLFLCO-SFHVURJKSA-N 384.476 2.930 0 1 GFAF CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2)n1 82070772 XWWXMYCIBGYKHX-ZDUSSCGKSA-N 390.461 2.815 0 1 GFAF CCCCCCOc1ccc(-c2nc(C(=O)NCC(=O)OCCN)co2)cc1 82072073 SACADKSCRZYMCT-UHFFFAOYSA-N 389.452 2.532 0 1 GFAF O=C(c1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95793884 QHMZMKOJUGPHNS-NHCUHLMSSA-N 380.463 2.891 0 1 GFAF CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3cccnc3)cc21 169309901 RANRSXNHVJZBGA-NDEPHWFRSA-N 391.452 2.768 0 1 GFAF CCCC(=O)OCC(COC(=O)CCC)OC(=O)c1ccccc1OC(C)=O 169336479 LGZTWIPVBUVAAU-UHFFFAOYSA-N 394.420 2.824 0 1 GFAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F 205796701 DRFNXSLLFSRQGB-IINYFYTJSA-N 392.862 2.992 0 1 GFAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(Cl)c(Br)cnc2[nH]1 587256327 GJSIFFFKUCISEK-MRVPVSSYSA-N 389.681 2.975 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CCN(CC)C[C@H]1C(=O)OCC)CC2=O 587475916 NPIGJTAOVPFWRB-KKSFZXQISA-N 375.465 2.954 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nnnn3c2)N1 587792429 HOQXBTGZCJOIJC-JDNHERCYSA-N 376.233 2.824 0 1 GFAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1Cn1cccn1 963475025 YWYBUTFDZXYDAT-LAUBAEHRSA-N 393.443 2.642 0 1 GFAF Cc1cc(C(=O)[C@H]2C(=O)N(C)c3ccccc32)c(C(=O)N2CCCCC2)c(O)n1 1857650921 QHFCIFYYNMLKAC-KRWDZBQOSA-N 393.443 2.665 0 1 GFAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccccc3Cl)C[C@H](O)[C@H]2CO)n1 2356579614 BGTJKRQOHHMKRI-XEYPJELSSA-N 389.927 2.944 0 1 GFAF C[C@@H]1C(=CC(=O)N(C)CCO)CC[C@@H]2[C@@H]1C(=O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@]12C 2356618233 KDNBPNSKQKVOSU-FVVFXMFQSA-N 391.552 2.802 0 1 GFAF COCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 61902957 VMORJIIBKZGBOF-INIZCTEOSA-N 390.427 2.913 0 3 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1CC[C@H](O)C1 1911578844 RRLQWYCNAUBUTL-UWVGGRQHSA-N 380.330 2.701 0 1 GFAF Nc1c(CC(=O)O)cccc1C(=O)c1ccc(I)cc1 29203635 IZULUALBZMPWKX-UHFFFAOYSA-N 381.169 2.732 0 1 GFAF CN(CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)CCc1ccccc1 28525963 OPVCQQIBZYSXFB-NRFANRHFSA-N 377.488 2.940 0 1 GFAF CCOC(=O)[C@@H](CCc1ccccc1)S[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O 28756423 JFGSPCGBBXYKKA-DJIMGWMZSA-N 393.505 2.748 0 1 GFAF C[C@@H](N)Cc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2 27323425 DDPKCMIOVDQYQX-LLVKDONJSA-N 397.280 2.666 0 1 GFAF Cc1ccc(CN2C(=O)[C@@H]3CS[C@]4(C(=O)Nc5ccc(C)cc54)N3C2=O)cc1 66252427 RQDCEUJVQYTTIC-LAUBAEHRSA-N 393.468 2.988 0 1 GFAF CCN1CCN(Cc2ccccc2)[C@@H](C(=O)Oc2c(OC)cccc2OC)C1 26159753 DBYSYAXIXBIYON-GOSISDBHSA-N 384.476 2.816 0 1 GFAF CC(=O)O[C@H](C/C(C)=C/CC/C(C)=C/CC/C(=C\CO)CO)[C@H](O)C(C)(C)O 215942922 DBAHGLBNNDLYHN-TVSNDTQCSA-N 398.540 2.804 0 1 GFAF COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646793 GBQHDHMFTXPYAM-HUUCEWRRSA-N 384.384 2.727 0 1 GFAF biogenic Cc1nc2cnc(Nc3ccnc(N4CC[C@](C)(C(N)=O)C4)n3)cc2n1C(C)C 222725459 WPZKCOGUAMITHT-FQEVSTJZSA-N 394.483 2.556 0 1 GFAF C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN(C)C 82083998 SQNMUZJWTQOEBO-AWEZNQCLSA-N 381.432 2.718 0 1 GFAF COCCOc1nc(N)nc2ncc(Cc3cc(OC)ccc3OC)c(C)c12 45303182 YBUQESXSXBJSGB-UHFFFAOYSA-N 384.436 2.549 0 1 GFAF C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNC[C@@H](O)c1ccccc1 299878855 JVUZHTFMWZBZKT-RTLBOKDXSA-N 385.504 2.837 0 1 GFAF COC(=O)c1ccnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 587119858 JHCFJYZCKAOUES-UHFFFAOYSA-N 379.342 2.887 0 1 GFAF C[C@@]1(CC(=O)N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347871 VJNYYWBZLDDABQ-UNMCSNQZSA-N 399.418 2.898 0 1 GFAF N=c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c[nH]1 586946394 PREXSFMGTJNOFA-UHFFFAOYSA-N 391.503 2.639 0 1 GFAF Cc1cc(OCc2ccc3c(O)nc(O)nc3n2)c2c3c(c(=O)oc2c1)CCC3 587563349 RMOPBFKNUHPIME-UHFFFAOYSA-N 391.383 2.919 0 1 GFAF COc1cccc2cc3c(nc12)[C@]1(C=C(C)N(C[C@@H]2CCCO2)C(=O)C1)NCC3 963064010 FXNSWVZGTVZPJG-FDDCHVKYSA-N 393.487 2.900 0 1 GFAF CC(=O)CN1C=C[C@@]2(NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962923622 ITZLHYHNZDIQMN-HSZRJFAPSA-N 375.472 2.700 0 1 GFAF O=C(N[C@@H](Cc1c[nH]c2ncccc12)C(=O)O)c1ccccc1Br 13488276 NROJPSFXOQCCEX-AWEZNQCLSA-N 388.221 2.751 0 1 GFAF CN(C)CCOc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726095 UWCXUAJDHXYHCN-ROUUACIJSA-N 379.485 2.858 0 1 GFAF O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 2928901 HZSLQQAVLWAYSP-MRXNPFEDSA-N 387.505 2.694 0 3 GFAF aggregator Cc1ccc(C(=O)N2CCC[C@@]2(C)C(=O)NCc2cc(Cl)ccc2CN)[nH]1 209417571 SEHJICPMXWQVFQ-FQEVSTJZSA-N 388.899 2.746 0 1 GFAF O=C1CC[C@@H](N2Cc3c(SCc4cccc(F)c4)cccc3C2=O)C(=O)N1 1857550912 LASXNZBHOVHYKN-MRXNPFEDSA-N 384.432 2.879 0 1 GFAF Cc1cc(OC[C@H](O)CCN2CCN(c3ccccn3)CC2)ccc1Cl 29482661 MHXTYQQPJVXRKM-QGZVFWFLSA-N 375.900 2.995 0 1 GFAF CCCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)cc1 27417168 DGAKRQPMTNHEQG-UHFFFAOYSA-N 377.466 2.946 0 1 GFAF O=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2=O)c(Cl)c1)c1ccccn1 66148802 KOEUPOPGGUYZAB-YYIAUSFCSA-N 397.818 2.654 0 1 GFAF COc1cc(C2=C(c3c[nH]c4ccccc34)[C@@H](O)NC2=O)cc(OC)c1OC 40835296 IINDUQOQNFCDNN-OAQYLSRUSA-N 380.400 2.553 0 1 GFAF Cc1noc(C)c1S(=O)(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1 43080725 CSUCQZQGBNFLTM-UHFFFAOYSA-N 392.525 2.942 0 1 GFAF COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2OC)cc(O)c1OC 15271714 IJRXDOSBJGZOEL-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic NCCOC(=O)c1ccc(CNC(=O)c2csc(Nc3ccccc3)n2)cc1 82081886 ABBPZSCGRHBALQ-UHFFFAOYSA-N 396.472 2.932 0 1 GFAF CCOC(=O)CN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@H]1C 195485241 FUPAQXIAYSURIA-HPEXNQPKSA-N 386.370 2.929 0 1 GFAF COc1ccc(CN2C(=O)N3Cc4cc(OC)ccc4[C@@H]3CS2(=O)=O)cc1 96020192 RLWGSKCOMOUVDB-SFHVURJKSA-N 388.445 2.526 0 3 GFAF CCCC(=O)OC[C@H]1CN(C2CCCC2)S(=O)(=O)c2c(F)cccc2O1 96021260 UAQVYQATDMSWEY-CQSZACIVSA-N 385.457 2.863 0 3 GFAF NCCOCCNC(=O)c1ccc([C@@H]2CC[C@@H](c3ccccc3)C[C@H]2O)cc1 96086551 UWDDUVCTGLMPMN-BHIFYINESA-N 382.504 2.804 0 1 GFAF in-vitro NS(=O)(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012125 GQNWQTOEPAFCBV-UHFFFAOYSA-N 399.295 2.974 0 1 GFAF Cn1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580026 GUFNFEHLEUZFCU-WIYYLYMNSA-N 394.383 2.848 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(=O)O)c2ccccc21 587489924 WXFQFWQLEWKVCM-OAQYLSRUSA-N 381.384 2.637 0 1 GFAF Cc1nn(CCO)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578882 BSMWVRRFUBDCDE-GHTZIAJQSA-N 380.400 2.901 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(C2CC2)N1 587849112 JPHKRDQPVDUNBP-VFZGTOFNSA-N 376.291 2.772 0 1 GFAF CCOc1ccccc1[C@@](N)(c1nc2c(C(=O)OC)ccnc2[nH]1)C(F)(F)F 587093876 YYQYBIAOZZFJOP-QGZVFWFLSA-N 394.353 2.908 0 1 GFAF CC1=C([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CN2NC=NC2=N1 587796143 PKKODQKFAHEMKB-HUTHGQBESA-N 392.276 2.830 0 1 GFAF CCn1cc(Br)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 587651499 VJHFAOGLXYLWLY-UHFFFAOYSA-N 381.617 2.717 0 1 GFAF COc1ccc([C@@]2(CC3OCCO3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963038593 WMFLOSQBZCILOR-IQMFZBJNSA-N 394.471 2.755 0 1 GFAF COc1cnc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)nc1 963180621 NOLIMWRLXDRYNB-QWHCGFSZSA-N 387.745 2.846 0 1 GFAF CN(CC(=O)O)c1ncc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cn1 962997354 MAMRZSITQKKINI-LJQANCHMSA-N 395.488 2.602 0 1 GFAF COc1ccc(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1 11841307 OYPOVGWJVNJZJW-UHFFFAOYSA-N 382.464 2.646 0 3 GFAF CC(C)Cn1c(=O)n(C)c(=O)c2cc(NCc3ccc(C(=O)O)cc3)ccc21 13603216 YBUVQGRFWZFXOO-UHFFFAOYSA-N 381.432 2.667 0 1 GFAF N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCOCC2)c1 201536148 RYVFDCBKVRBYJX-UHFFFAOYSA-N 397.431 2.915 0 1 GFAF C[C@H]1C(=O)NN=C2COc3cc(-c4ccccc4)c(NC4(C)CN(C)C4)cc3N21 209550487 GGOUEYZWZHNSOB-AWEZNQCLSA-N 391.475 2.500 0 1 GFAF O=C(CN1CCOCC1)Nc1ccc(Oc2cc(=O)oc3ccccc23)cc1 1857597825 BTUHCDCLKZRYCJ-UHFFFAOYSA-N 380.400 2.856 0 1 GFAF C[C@H](NC(=O)c1cnn(-c2ccccc2)c1N)c1ccc(C(=O)NC2CC2)cc1 1857612436 HMHIDOAKZMQUIY-AWEZNQCLSA-N 389.459 2.838 0 1 GFAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)[C@@H](N)c5ccccc5)cc4)c12)CCC3 1857617833 ACNPXAMFBNISRJ-IBGZPJMESA-N 398.470 2.960 0 1 GFAF CN(C)c1nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c(=O)n1 1857664 PNXNXTFGEKXFGT-UHFFFAOYSA-N 387.443 2.530 0 1 GFAF CC1CCN(C(=O)c2ccc(C/N=c3/c(N4CCCCC4)c(O)c3=O)cc2)CC1 103900277 KPAKLOSJUSFOKO-CLCOLTQESA-N 395.503 2.591 0 1 GFAF C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)CCN1 103280666 STVFKGGBEDQFJA-GFCCVEGCSA-N 399.397 2.765 0 1 GFAF CC(C)NC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccs2)on1 61905694 CIXYLHGRSGFUOZ-CYBMUJFWSA-N 383.495 2.790 0 3 GFAF CCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 82210130 MIXAKQOEGLLSGM-PKOBYXMFSA-N 388.512 2.573 0 1 GFAF C/C1=C/C(=O)O[C@@H](C[C@@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C/CC1 40936869 JDROCHDFKUSVDQ-VBBBLVQASA-N 397.537 2.938 0 1 GFAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2ncc(-c3ccccc3)cc2C1=O 95711535 WYWRIWAKLMZJHI-GUXCAODWSA-N 383.492 2.530 0 1 GFAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 299885000 UUERVZOSVGQPSA-CWWINAKGSA-N 399.491 2.961 0 1 GFAF CC(=O)Nc1nn2c(=O)cc(-c3ccc4c(cnn4C)c3)[nH]c2c1-c1ccccn1 653663978 UACGOTPEHUKTQI-UHFFFAOYSA-N 399.414 2.597 0 1 GFAF CCOc1ccccc1[C@](N)(c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(F)(F)F 587093379 TYCCDSCTBOYDPR-AWEZNQCLSA-N 386.765 2.534 0 1 GFAF Cc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br 587202342 CZQQKUFTBFHQNN-ZDUSSCGKSA-N 381.274 2.713 0 1 GFAF COC(=O)c1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cn1 587111160 KCORUMQNFBCOLV-UHFFFAOYSA-N 378.310 2.693 0 1 GFAF O=C(Nc1cc(CN2CCCC2)[nH]n1)Nc1cccc2c1[C@H]1CCCN1C2=O 12355052 ZCRJVXDJCMBFCS-MRXNPFEDSA-N 380.452 2.940 0 1 GFAF COc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)NCC(C)C)c2)cc1OC 205214769 RXNSLPOEPJMDSP-UHFFFAOYSA-N 388.468 2.660 0 3 GFAF O=C(c1cnc2ccc(N3CCC[C@H]3c3cc(F)ccc3F)cn12)N1CC(O)C1 1857562264 FLKKGYWDUVREGM-SFHVURJKSA-N 398.413 2.771 0 1 GFAF Nc1nc(-c2ccc(Cl)c(Cl)c2)c(I)c(=O)[nH]1 3653771 WHIPVDKQSLVZDI-UHFFFAOYSA-N 381.988 2.931 0 1 GFAF Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCCCC1 6819137 TVRZDFXLAAOKCT-UHFFFAOYSA-N 387.505 2.839 0 3 GFAF CC[C@H](C(=O)N1CCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 6944396 OZOIIBIWFANVPK-QGZVFWFLSA-N 379.464 2.773 0 3 GFAF CC1(C)O[C@@H]2CO[C@@]3(COC(=O)Nc4ccccc4)OC(C)(C)O[C@H]3[C@@H]2O1 27989799 DNTTVFLQOKHLPY-CUYVQJCZSA-N 379.409 2.633 0 1 GFAF CC(=O)O[C@@H]1C[C@H](C)Cc2ccc(C)c(C=C[C@@H](O)C[C@@H](O)CC(=O)O)c21 2356691241 CFHKAMNUJQAFGO-MYFFOXHASA-N 376.449 2.781 0 1 GFAF COC(=O)C1=C2Nc3cc(OC)ccc3[C@]23CCN2CCC[C@@](C(C)=O)(C1)[C@@H]23 14594328 UPEIYBJSTNGANI-BHIFYINESA-N 382.460 2.633 0 1 GFAF biogenic CCCCCCN1CCN([C@H]2CN(Cc3ccc(C)cc3)S(=O)(=O)C2)CC1 72135726 YFEQTQSTKMYSHF-NRFANRHFSA-N 393.597 2.707 0 3 GFAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 95827211 FLMSQRUGSHIKCT-XLHHKYDGSA-N 390.520 2.575 0 1 GFAF Nc1ncnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 586961472 RPMCRUOKJWSYPZ-YUELXQCFSA-N 398.492 2.630 0 1 GFAF CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)CCC)CC1)CC2=O 587485031 IYXSYAIFPSZHMJ-UHFFFAOYSA-N 381.494 2.884 0 1 GFAF COC(=O)c1cccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 586926257 NAKGNITWRUNOEE-UHFFFAOYSA-N 386.429 2.569 0 1 GFAF Cc1c(Cl)ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 586941584 KMCBDNIABODVDY-UHFFFAOYSA-N 393.852 2.774 0 1 GFAF N=c1[nH]ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586961007 RQFNVVBYXOMRFF-QFIPXVFZSA-N 379.283 2.873 0 1 GFAF COC(=O)C1=C2CCCCN2C(=O)C[C@]12NCCc1c(OC)ccc(Cl)c12 963268939 BKXBQOZNFNRWAM-HXUWFJFHSA-N 390.867 2.533 0 1 GFAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCC[C@H](c3ccccc3)C2)c1 1772607701 DUVLGZHVLHPLOD-JYBLJSLWSA-N 377.444 2.686 0 1 GFAF CN1CCC[C@H]1c1cccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 1772620763 DEUZGMJOCHUTND-PKTZIBPZSA-N 393.531 2.602 0 1 GFAF Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C[C@H]2C)c1 13147523 RYKXPNFSKZQLRP-MRXNPFEDSA-N 399.516 2.779 0 3 GFAF aggregator CCC(CC)NC1=NS(=O)(=O)c2cc(I)ccc2N1 13524747 FCTQLDWSWUUJSK-UHFFFAOYSA-N 393.250 2.540 0 1 GFAF COc1ccccc1N1CCN(CCCCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 13802409 CKWYMRLGBVPIHJ-KDURUIRLSA-N 399.535 2.773 0 1 GFAF COC1CCC2(CC1)Cc1ccc(OC(F)(F)F)cc1[C@@]21N=C(N)N(C)C1=O 150125958 HTVRURNDXMAFIX-WQHGFJKVSA-N 397.397 2.699 0 1 GFAF CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(-c4ccc(O)cc4)cc23)c1 204893838 DABNWVFIPGBOEE-UHFFFAOYSA-N 395.444 2.982 0 1 GFAF N=C(N)N1CCc2ccc(OCC3CCN(Cc4cccc(N)c4)CC3)cc2C1 13644366 XIZINJSTBMMWIV-UHFFFAOYSA-N 393.535 2.811 0 1 GFAF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O 13650291 IVPBPKGZSHMVDK-JSGCOSHPSA-N 397.381 2.518 0 1 GFAF COc1ccccc1CNC(=O)[C@H]1C[C@H]2Cn3c(nc4ccccc43)[C@@H]2N1C 13660625 RLLCPUKXIYNIII-QKYXUNIQSA-N 376.460 2.736 0 1 GFAF C[C@H](S[C@H](CCc1ccccc1)C(=O)O)C(=O)NC1(C(=O)O)CCCC1 28755672 IRFLEJXVMMQAGR-DZGCQCFKSA-N 379.478 2.708 0 1 GFAF C[C@@H]1CCCN(c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 28883745 YXGZSXNOXQYEQA-LLVKDONJSA-N 388.415 2.926 0 1 GFAF CC(=O)O[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 29567153 XRTNIJWWOGBHSQ-IBGZPJMESA-N 390.434 2.961 0 1 GFAF CC[C@@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccsc1C(=O)OC 40424457 CCBLSWSTNQRVEC-LLVKDONJSA-N 398.437 2.600 0 1 GFAF Cc1cc(N2CCCNCC2)nc(NC2CCN(Cc3ccccc3)CC2)n1 45351623 UXGQJPXECXRIDT-UHFFFAOYSA-N 380.540 2.661 0 1 GFAF CN1CCN(Cc2cccc3c2-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 49055019 SQRIRSLOGNSMSD-UHFFFAOYSA-N 385.471 2.685 0 1 GFAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccc(O)c2)c(O)c1 64321195 SCDSELIBJNSEDK-IBGZPJMESA-N 376.412 2.591 0 1 GFAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC(F)C3)ns2)n1 66103507 JZMGYGRZHAFRMN-UHFFFAOYSA-N 384.444 2.782 0 1 GFAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c[nH]nc1-c1ccc(OC)cc1 73141388 BCUFEGCJLHANNC-UHFFFAOYSA-N 397.431 2.666 0 1 GFAF O=c1[nH]c2ncc(-c3ccc(-n4ccnn4)cc3)nc2n1CC1CCCCC1 82157490 RQSUJEWZKKTMQG-UHFFFAOYSA-N 375.436 2.948 0 1 GFAF Cn1c(N2CCN[C@@H](c3cccc(Cl)c3)C2)nc(-c2ccncc2)cc1=O 116771604 FCHCEVYONFZMDW-GOSISDBHSA-N 381.867 2.647 0 1 GFAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cn[nH]c4-c4ccccc4)C[C@@H]32)n1 116826986 BPDHYZOXKWHNQT-HKUYNNGSSA-N 388.475 2.834 0 1 GFAF CCNCc1cc2cc3c(cc2n1C)CCCCc1c-3[nH]c(=O)c(C(=O)O)c1O 142918000 RKBFJPKMKIUIFA-UHFFFAOYSA-N 395.459 2.926 0 1 GFAF NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1 200106598 PQXLABPJDAZJCK-UHFFFAOYSA-N 390.856 2.789 0 1 GFAF O=C(O)/C=C1\[C@H]2Cc3ccc(O)cc3[C@]1(CCCC(=O)O)CCN2CC1CC1 212414914 UVJXIPXZFLGNGR-MZGCMSBRSA-N 385.460 2.936 0 1 GFAF CC1=C(C(N)=O)[C@H](c2ccc(N)cc2)N2NC(SCc3ccccc3)=NC2=N1 473133977 ACUWWLIHJBIYTC-KRWDZBQOSA-N 392.488 2.548 0 1 GFAF CC(=O)N[C@@H](Cc1nc2ccnc(O)c2[nH]1)c1ccc(Br)cc1 586985124 KJNCSPJEESDCKA-ZDUSSCGKSA-N 375.226 2.846 0 1 GFAF NC(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144061 HVXOHUATLDXAQX-LBPRGKRZSA-N 377.217 2.806 0 1 GFAF Cn1nc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1C1CC1 587275988 IHSLQUKZZAWYMD-UHFFFAOYSA-N 376.210 2.925 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccco3)Cc3nc(=N)[nH]cc31)O2 587389402 KHEZZVQZCXKIFL-GTJPDFRWSA-N 376.416 2.963 0 1 GFAF O=C1N[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)Nc2ccccc21 587593399 JJHJISFAASTFQC-IOMROCGXSA-N 388.379 2.904 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(NCCCOc3cccc(F)c3)n2)c1 1772580771 CQPPDLGYQRCEIM-UHFFFAOYSA-N 396.426 2.995 0 1 GFAF Cc1cc(NC(=O)Cn2nnc(-c3cccc(F)n3)n2)n(C2CCCCC2)n1 1857599539 TUUVEWXTSCWWOF-UHFFFAOYSA-N 384.419 2.523 0 1 GFAF CC(C)c1ccc(-c2ccc(NC3CCN(C(=O)CN)CC3)c(C(N)=O)c2)cc1 1857635269 SRTZQWVTFZCWMJ-UHFFFAOYSA-N 394.519 2.938 0 1 GFAF C[C@@H]1N[C@H](CC[C@H](O)CCCC2(CC[C@H](O)CC(=O)O)CCCC2)CC[C@@H]1O 2356445120 VQRDMKWFWNHFIY-MDMHHNQBSA-N 399.572 2.975 0 1 GFAF C[C@]12C[C@H](O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356667978 YACPFMQTNQLPTL-VRSRLWCUSA-N 390.520 2.575 0 1 GFAF CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C2CCCCC2)cc1 12090193 PJWDILJELKDKID-HXUWFJFHSA-N 387.524 2.567 0 3 GFAF CN(C)CCNc1ncc2ncnc(Nc3cccc(Br)c3)c2n1 3815228 BRXQCYKQKVTPNS-UHFFFAOYSA-N 388.273 2.899 0 1 GFAF CC[C@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccccc1C 103623251 OBIXYDBRVUMBSU-LBPRGKRZSA-N 384.509 2.973 0 1 GFAF CCC(C)(C)C(=O)C(=O)N1[C@@H]2CC[C@H](C2)[C@@H]1C(=O)OCCCc1ccncc1 100043450 JMLRFOPJGOEVRD-KZNAEPCWSA-N 386.492 2.942 0 1 GFAF Cc1c(S[C@H]2CCCCN2)n(COCSc2ccccc2)c(=O)[nH]c1=O 28138207 CBBPKAKSAKZQFN-HNNXBMFYSA-N 393.534 2.761 0 1 GFAF CC=C(NC(=O)C[C@H](CCCCC)NC(=O)C[C@@H](N)CCCCC)C(=O)O 2356541657 VWSNLVVBVKAHGF-HOTGVXAUSA-N 383.533 2.844 0 1 GFAF c1ccc(CCCN[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2cc(-c3ccccc3)nn2)cc1 2356872143 YPIOVOQBBKDBPU-LUKWVAJMSA-N 390.487 2.875 0 1 GFAF CCc1nc(Cl)c([C@@H]2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC(C)C)[nH]1 35942763 AOLAQDUHDBFMAT-CQSZACIVSA-N 381.860 2.985 0 1 GFAF CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(CO)cc2)C1=O 40893254 HOQRPUGACQIBBI-UHFFFAOYSA-N 385.485 2.745 0 1 GFAF O[C@@](CNCCCOc1ccccc1)(Cn1cncn1)c1ccc(F)cc1F 84653952 NHLQKSAQPPSOSN-FQEVSTJZSA-N 388.418 2.503 0 1 GFAF COc1ccc(-c2csc(NCC(=O)NC[C@H]3CCCO3)n2)cc1OC 82193668 ZQDBAEKWHILGSQ-CYBMUJFWSA-N 377.466 2.534 0 1 GFAF O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cncnc2)ccc1=O 25435764 CPNMZRAHNAHOOP-WBVHZDCISA-N 378.476 2.831 0 1 GFAF biogenic O=C(NCCCCNC(=O)[C@@H]1CCCCO1)c1cc(-c2cccs2)on1 473089002 QBJSZHCJHXMQBE-AWEZNQCLSA-N 377.466 2.598 0 1 GFAF O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cccc(O)n2)nc1 299851980 LPNANDGJENVCFD-UHFFFAOYSA-N 380.370 2.606 0 1 GFAF C[C@@H]1C[C@H]2C(=O)C(C)(C)[C@H](OC=O)CC[C@]2(O)[C@@]1(C)CCC1=CC(=O)OC1 473119868 MWNWTMDEHMSZCG-FRRWIFOXSA-N 378.465 2.574 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587136312 NEQCLDCHQXPIKN-UHFFFAOYSA-N 388.193 2.918 0 1 GFAF COC1=COC(C(=O)O)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587618951 VPLVYDGZGHXNOY-UZLBHIALSA-N 382.324 2.579 0 1 GFAF COC(=O)c1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774807 XYERSUXGAJTRSS-GLEZIHRCSA-N 380.217 2.788 0 1 GFAF COC(=O)c1ccnc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc12 587198119 YOMICMFIGSZULO-LBPRGKRZSA-N 390.440 2.661 0 1 GFAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cc(Cl)ccc3Cl)N2C(=O)[C@@H]2CCCN12 963218753 IYEMXMMKDGZNKZ-DZKIICNBSA-N 391.258 2.564 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCC(O)CC3)c2cn1)c1ccccc1 1772622454 BJMXFHOCDZTTLD-CYBMUJFWSA-N 380.452 2.802 0 1 GFAF COc1cc(C[C@H]2COC[C@@H]2[C@H](O)c2cc(OC)c(O)c(OC)c2)ccc1O 13380185 XYTZIYNRZGBMDA-AUSJPIAWSA-N 390.432 2.662 0 1 GFAF Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc2c(c1)CCCC2 13831101 JCJJWUOGRVLHSQ-UHFFFAOYSA-N 395.455 2.795 0 1 GFAF CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1 13832109 IMYIXKWHJNYXNZ-INIZCTEOSA-N 398.334 2.691 0 1 GFAF Cc1sc2c(c1C)C(=O)[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N2C 18130597 FYOQAAJQDCKZMJ-CQSZACIVSA-N 398.893 2.988 0 1 GFAF COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169293774 HPUXACWYEUDBLN-IDVKNYFZSA-N 396.418 2.516 0 1 GFAF CC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 169347758 YNHIQKSBIVCIOK-AOJHCPBWSA-N 397.515 2.774 0 1 GFAF CN(C(=O)C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)[C@H]1CCOC1 1857602979 KWUSZAZDWRVZSF-SFHVURJKSA-N 384.455 2.746 0 1 GFAF O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4049738 YECZYMVOMYFBFZ-RBBKRZOGSA-N 391.471 2.907 0 1 GFAF O=C(O)C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1Cc1nc2cnccc2[nH]1 2356352511 VCPVZQKFBFFPAM-IAGOWNOFSA-N 392.459 2.683 0 1 GFAF CCOCCc1ccc(OCCN(C(C)=O)C(=O)c2cc(C)nn2C)c(C)c1 103288694 UBCSCBHQEPFISF-UHFFFAOYSA-N 387.480 2.684 0 1 GFAF O=C(Nc1cc(Cl)ccc1N1CCCC[C@@H]1CO)c1cnn2cccnc12 113654364 GYQKWBGFBNPDIR-CQSZACIVSA-N 385.855 2.986 0 1 GFAF CC(=O)c1ccc(N2CCN(CC[C@H](O)COc3ccc(F)cc3)CC2)cc1 29488905 ZSCMHUYFEWDLCP-NRFANRHFSA-N 386.467 2.980 0 1 GFAF Cc1cc2c(c(=O)o1)C[C@@H]1[C@](C)(CC[C@@H]3C(C)(C)OC(=O)C[C@@H](O)[C@]31C)O2 2356460123 JZUWHWXBAGVOIA-IULBNUBQSA-N 376.449 2.761 0 1 GFAF CN(C)[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 2356495304 OELGKSSJJXGXLW-FJIDUMEYSA-N 395.425 2.624 0 1 GFAF CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cccs2)[C@H]1c1cccs1 110730738 IHYDTOOPTPABPS-LSDHHAIUSA-N 376.503 2.713 0 1 GFAF CCc1c(Cc2ccccc2)c(=O)n(O)c(=O)n1COCc1ccc(F)cc1 71329136 ZVXMKXRCZJNVLE-UHFFFAOYSA-N 384.407 2.714 0 1 GFAF CN1CCN(c2ccc3nc(-c4c(N)c5cccc(F)c5[nH]c4=O)[nH]c3c2)CC1 40424269 XALNEEALNAULMH-UHFFFAOYSA-N 392.438 2.545 0 1 GFAF Nc1ccc([C@@H]2SCC(=O)N2NC(=O)CSc2nc3ccccc3[nH]2)cc1 49053741 ALRUDUYFOUUQSJ-KRWDZBQOSA-N 399.501 2.543 0 1 GFAF CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC(N)CC3)n2)cn1 224860981 ZDKAFPXWZJQNPN-UHFFFAOYSA-N 388.479 2.626 0 1 GFAF C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(CC3CCCCC3)c(=O)n21 82211041 UFFWSYYNWWCOSK-CQSZACIVSA-N 384.480 2.895 0 1 GFAF COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)O3)n2)cc1OC 141917279 IFJAICSSSBETIV-CYBMUJFWSA-N 381.388 2.801 0 1 GFAF Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccc(F)cc3)s2)s1 95576950 YGEOOSFETYQQTI-UHFFFAOYSA-N 392.485 2.858 0 1 GFAF COc1ccc2cc(C(=O)CN3CCN(c4ccccc4)CC3)c(=O)oc2c1 96905774 NPQPMICFMUSKQY-UHFFFAOYSA-N 378.428 2.807 0 1 GFAF COC1(C)CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C1 653679389 WYRUVUMMJVXGGF-UHFFFAOYSA-N 377.395 2.825 0 1 GFAF O=C1CCc2cc3nc(-c4cnn5cc(Br)cnc45)[nH]c3cc2N1 587009045 TZFJKENJBVXHSX-UHFFFAOYSA-N 383.209 2.920 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)N(CO)c1ccccc12 587586813 JWSWGKWUZWEVEB-GCJKJVERSA-N 389.363 2.546 0 1 GFAF COCOc1ccc(C[C@@H]2c3ccsc3CCN2C(N)=O)cc1OCOC 962705907 HQQSBMXZCMPFOL-OAHLLOKOSA-N 392.477 2.934 0 1 GFAF Cc1ccc(CN2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)o1 12431977 WUEXKAVDQHCXAX-HXUWFJFHSA-N 389.540 2.560 0 3 GFAF CC(=O)O[C@H]1Cc2cc3c(cc2C2=NCc4c(ccc5c4OCO5)[C@]21C)OCO3 13380156 MGTASFKHNQIQPG-UGKGYDQZSA-N 393.395 2.892 0 1 GFAF biogenic,in-vitro Cc1[nH]c(O)nc(=S)c1C(=O)NC1[C@H]2CCCC[C@H]2N[C@@H]2CCCC[C@H]12 17256219 ABTZKNNKLUKWHH-IGQOVBAYSA-N 376.526 2.972 0 1 GFAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4c3CCO4)CC2)CC1 169697058 ACEAZRLEPRIAMD-KDURUIRLSA-N 386.540 2.532 0 1 GFAF CC1(C)N=C(N)N=C(N)N1OCCOc1cc(Cl)c(Cl)cc1Cl 27316347 DJTXXKITUXEJCN-UHFFFAOYSA-N 380.663 2.638 0 1 GFAF COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@H]3C[C@@H]21 38857651 WMMZYEBFJWWUJX-XFWLNYBISA-N 384.476 2.656 0 1 GFAF CN(C)CCNC(=O)[C@@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 45367108 ALJLJCWXUSHXHE-IBGZPJMESA-N 396.516 2.983 0 1 GFAF COc1ccc(CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 73224050 WZDAWIGJXMPIOQ-GFCCVEGCSA-N 380.441 2.626 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccco2)n1 82142682 MYVXRIXMRLIEEN-UHFFFAOYSA-N 385.468 2.689 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(C)=O 95894961 LLORUJGLHNUMBM-HBMCJLEFSA-N 385.508 2.638 0 1 GFAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C(=O)[C@H](O)[C@@H](C)[C@]23CC[C@@]2(C=COC2)O3)C1(C)C 96085914 HOIUWXWVVKJHSD-WQPGSDOWSA-N 392.492 2.772 0 1 GFAF O=C(CCCCCNC(=O)c1nc(-c2nccs2)sc1C1CC1)NO 147355410 ABSSTWUONYNFRT-UHFFFAOYSA-N 380.495 2.940 0 1 GFAF C/C=C1/CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 153931960 WYNQUOUUSJZYJJ-SOZVSBGWSA-N 384.476 2.823 0 1 GFAF CCS(=O)(=O)N1C[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3Cl)[C@@H]2C1 169313591 JZUYHIAQGMBZNI-WDBKCZKBSA-N 391.320 2.783 0 1 GFAF O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)Cc1cccs1 205570561 WSKNMTNJCOYFBB-VMPITWQZSA-N 379.894 2.679 0 1 GFAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OC[C@H]3CCCO3)ccc1-2 209698051 DFBLFEOEHLUIJI-QZTJIDSGSA-N 398.459 2.582 0 1 GFAF Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C 221802118 HOABKZOZMAIVHA-UHFFFAOYSA-N 397.460 2.503 0 1 GFAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)[C@@H]1C2 253677940 QLJHRHJFUIHEAT-FFGOWVMKSA-N 384.476 2.878 0 1 GFAF Cn1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580005 GUFNFEHLEUZFCU-GHTZIAJQSA-N 394.383 2.848 0 1 GFAF CC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587830798 FTEHBYWLCOMPPP-IQSNUIKMSA-N 382.229 2.984 0 1 GFAF COc1ccccc1C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 1259847607 CSVDRYQOSJZFKX-UHFFFAOYSA-N 375.446 2.992 0 1 GFAF COc1ccc2c(c1)NC(=O)CN2c1nc(N2CC(OC)C2)nc2ccccc12 1772614059 AHGCRJOBVYSYKD-UHFFFAOYSA-N 391.431 2.564 0 1 GFAF COc1ccccc1-c1n[nH]c(=Nc2ccc(CC(N)=O)c(F)c2)c2c1CCC2 1857534011 YTURVZFMDGSREF-UHFFFAOYSA-N 392.434 2.973 0 1 GFAF COc1c(O)cc(O)c2c(=O)cc(-c3cccc(N4CCCNCC4)c3)oc12 1857546726 QVQZNOJRIAMEJV-UHFFFAOYSA-N 382.416 2.680 0 1 GFAF COc1cnc(Nc2ccc(N3CCOCC3)cc2)[nH]c1=Nc1cccc(O)c1 1857572048 BNPLRGNVECXLSC-UHFFFAOYSA-N 393.447 2.937 0 1 GFAF CCCCNC(=O)c1c(NC(=O)c2ccc(C(=O)OC)cc2)nc2ccccn12 1857601928 SFIKVOKMSKILMD-UHFFFAOYSA-N 394.431 2.903 0 1 GFAF COc1ccccc1NC(=O)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1 2356299486 IRKBVOBGNFESID-KRWDZBQOSA-N 398.438 2.988 0 1 GFAF COc1ccc([C@@H]2O[C@H](O)[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@@H]32)cc1OC 2356475172 RFMVVAAYBGTQPS-WANVKNSSSA-N 386.400 2.826 0 1 GFAF C[C@H]1C[C@@H](C)CN(C(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)C1 2467830 RITARYBFWINXKS-BETUJISGSA-N 377.872 2.628 0 1 GFAF CC1=CC[C@H](O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3C1 2356327560 DEPCTRKSAXUTDK-PZIPIOTPSA-N 375.509 2.521 0 1 GFAF Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NC[C@@H]3CCCO3)o2)cc1 2966658 FGTRMQWTKYUPIP-INIZCTEOSA-N 377.462 2.612 0 3 GFAF Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc12 3045445 XEAPSOKHKJKAKG-UHFFFAOYSA-N 389.385 2.647 0 3 GFAF Cc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)O)cc1 6727268 QCACEHGEERYHKI-WOJBJXKFSA-N 396.487 2.952 0 3 GFAF NC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 27525541 POWBBMHTPGQORA-SECBINFHSA-N 379.819 2.612 0 1 GFAF Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)oc3ccccc3c2=O)cc1 28826543 OWJKGRAHBHBTQN-UHFFFAOYSA-N 387.395 2.838 0 1 GFAF CCCOc1ccccc1C(=O)NCC(=O)c1nc(C(=O)OCC)cs1 28348971 IMQAFCZVGXLZRL-UHFFFAOYSA-N 376.434 2.721 0 1 GFAF Oc1ccc2c3c1O[C@H]1C(c4ccc[nH]4)=CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 29409043 VSZRBWVMMGPZEC-QLBRKBSLSA-N 390.483 2.978 0 1 GFAF CN1Cn2c3ccc(O)c(Br)c3c3ccnc(c32)[C@@H]1C[S@@](C)=O 15209779 FKKGARBPUIRMFS-RULNZOCKSA-N 394.294 2.980 0 1 GFAF biogenic COc1cc2cc(-c3cc4cc(OC)c(O)cc4oc3=O)c(=O)oc2cc1O 14725640 CATARVOMFPTQIG-UHFFFAOYSA-N 382.324 2.995 0 1 GFAF biogenic CC[C@]12C=CCN3CCc4c(n(c5cc(OC)ccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 197382185 HTWQPFKEAAOZFQ-BAGYTPMASA-N 382.460 2.737 0 1 GFAF COc1ccc(Cn2c3ncnc4c(ncn4Cc4ccccc4)c-3nc2=O)cc1 95581738 WEVYGXPFTYNTIN-UHFFFAOYSA-N 398.426 2.593 0 1 GFAF CCCS(=O)(=O)c1ccc2[nH]c(N3CCN[C@@H](c4ccccc4)C3)nc2c1 95574976 YRUGRFUNIYAGBJ-LJQANCHMSA-N 384.505 2.898 0 1 GFAF CCN(C[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(C)=O)C(C)=O 95895367 ZUDIINIBMRPOJK-VABKMULXSA-N 380.488 2.897 0 1 GFAF Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc2c(cnn2C)c1 95553143 DMBVYCDISNAJPU-INIZCTEOSA-N 376.468 2.832 0 1 GFAF CC(=O)NCCNc1cc(Cl)nn2c(-c3ccc(F)c(C=O)c3)c(C)nc12 299854706 AHIAFMSFOPJWHU-UHFFFAOYSA-N 389.818 2.858 0 1 GFAF COC(=O)CC1(O)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587607060 HAQLJIXMLWCACY-XTWGIRIWSA-N 398.411 2.961 0 1 GFAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(N)ncnc3[nH]2)cc1 586949860 DGTJQIZCJSWNJD-UHFFFAOYSA-N 380.433 2.711 0 1 GFAF COC(=O)c1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cn1 587014182 LVYWGPXXIWQGAP-UHFFFAOYSA-N 389.437 2.893 0 1 GFAF CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587386822 LHFNSPMKRPIAGX-FQEVSTJZSA-N 392.452 2.759 0 1 GFAF COc1cc2c(cc1OC)[C@]1(CCN(Cc3cccnc3)C(=O)C1)N(C)[C@H](C)C2 962633156 SWLGSCBFNJMZEB-WAIKUNEKSA-N 395.503 2.993 0 1 GFAF O=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1CC[C@@H](F)C1 1857611120 AZJYTYKUFGKDMH-OAHLLOKOSA-N 377.851 2.708 0 1 GFAF COc1cccc(N2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)c1 6899618 ONLNECHSZMOMOU-UHFFFAOYSA-N 378.480 2.888 0 1 GFAF O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc4c(c3)OCCO4)N3CCC[C@@]123 12317963 PDZLBARZXUNNLR-YDHSSHFGSA-N 391.471 2.791 0 1 GFAF CCN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 35079195 WHNGMNTZKOCTSB-GJZGRUSLSA-N 377.876 2.760 0 1 GFAF CC1(C)c2[nH]c3ccc(Cl)cc3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@@H]13 40862756 YPMYHKRXJAASRU-JHVJFLLYSA-N 383.879 2.905 0 1 GFAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2nnsc2C1 40880283 JICSOUQQDNPUEL-LJQANCHMSA-N 385.581 2.930 0 1 GFAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCSCC1)Nc1ccsc1 43527268 NKOACQKXEIJLPO-HLLBOEOZSA-N 380.583 2.629 0 1 GFAF biogenic CCOC(=O)CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1 45353353 ALRAARPLEVJHRN-LBPRGKRZSA-N 379.848 2.711 0 1 GFAF CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(CCO)[C@@H]1c1ccccc1 84712727 LILMSNVYMZOZSA-HXUWFJFHSA-N 380.444 2.800 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 86010747 BMPRGPGLZWJNOP-OLSXTLJTSA-N 378.465 2.897 0 1 GFAF in-man NC(=O)c1ccc(F)c2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2 117357580 MSLJBNUZYHPJBH-UHFFFAOYSA-N 395.425 2.923 0 1 GFAF CNC(=O)[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)C 146357948 YWZGEGZSNRFLOJ-AWEZNQCLSA-N 387.402 2.791 0 1 GFAF Cc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OC[C@@H]3CCCO3)n2)no1 206693573 FKUNMUZRADHSGL-AWEZNQCLSA-N 386.452 2.873 0 1 GFAF COC(=O)[C@@]12CCCC3=C1[C@H](C[C@@H](C)[C@]31C[C@@H](c3ccoc3)OC1=O)O[C@H]2O 238736163 PRUZGIISEPDMEU-VJFJHBQGSA-N 388.416 2.651 0 1 GFAF CS(=O)(=O)N1CCC(Nc2ncc(Cl)c(Nc3ccccc3)n2)CC1 299829160 KUMALFSGZSTBQX-UHFFFAOYSA-N 381.889 2.710 0 1 GFAF CN(C)C[C@@H]1Cc2ccccc2[C@@]2(C)C[C@]3(C(=O)Nc4ccccc43)C(=O)N12 473125484 PYTLNKIXAVDVTP-FNVCAUGXSA-N 375.472 2.511 0 1 GFAF CCS(=O)(=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228149 JMVUXEHXPSRLEH-UHFFFAOYSA-N 387.461 2.825 0 1 GFAF Nc1ccc(-c2c[nH]c3cc(-c4cncc(N5CCNCC5)n4)ccc23)c(F)n1 1772633354 VCNYZERFJDFBKP-UHFFFAOYSA-N 389.438 2.818 0 1 GFAF COc1cc2c(cc1N1C(=O)c3cccc4cccc(c34)C1=O)n(C)c(=O)n2C 1772646573 DWEBZJMPQVJZAL-UHFFFAOYSA-N 387.395 2.839 0 1 GFAF c1cc(N2CCCC2)nc(Nc2ccc(OCCCN3CCOCC3)cc2)n1 1857599413 VBUIVVCHVDKSFL-UHFFFAOYSA-N 383.496 2.922 0 1 GFAF O=C(O)c1ccccc1C(=O)NC[C@@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 2356309015 RPZZKVFUONDUFX-OAHLLOKOSA-N 395.390 2.716 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1CC2=CC[C@@H]1[C@](C)(CO)[C@H](O)CC[C@]13C 2356367139 WXHHJRNXCOMIHI-CHRBLHIJSA-N 378.509 2.577 0 1 GFAF COc1cccc2nc(C[C@@H]3CN(C(=O)NC(C)C)CC[C@H]3CC(=O)O)[nH]c12 2356617726 OIBGKKNBXJUHDF-UONOGXRCSA-N 388.468 2.645 0 1 GFAF CCOc1ccc(Cn2nnc(C(=O)NCCc3ccc(Cl)cc3)c2N)cc1 4934797 LRMVKXBYFGVZIM-UHFFFAOYSA-N 399.882 2.933 0 3 GFAF aggregator CCCCCCN1CCS(=O)(=O)N(Cc2ccc(C)cc2)[C@H](C(=O)OC)C1 96020402 WKHXZSYPECBDNA-IBGZPJMESA-N 396.553 2.564 0 3 GFAF CN1O[C@](C)(CC(=O)N2CCOCC2)N=C1c1cccc(-c2ccccc2)c1 205222511 QLWSDEWOYCIWLG-JOCHJYFZSA-N 379.460 2.942 0 3 GFAF O=C(O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O)N1CCN(c2ccccc2)CC1 254134977 VBQMMEXSTHWJJH-MDNKFWRPSA-N 383.492 2.735 0 3 GFAF O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2c1CCCC2 3783049 IMQKCRFXBQXONP-UHFFFAOYSA-N 395.228 2.699 0 1 GFAF Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 3814705 UEDYWDJWTZVWJX-UHFFFAOYSA-N 382.367 2.788 0 1 GFAF C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1onc(-c2cccnc2)c1C(=O)O 2356300760 XNNRMFFCJFCTKP-JTQLQIEISA-N 381.344 2.655 0 1 GFAF COCCOc1ccn2c(-c3ccc4cccc(OCCN)c4n3)cnc2c1 103240644 XZOOZZGHEVFMAJ-UHFFFAOYSA-N 378.432 2.912 0 1 GFAF CS(=O)(=O)c1ccc(CCNCCCCCCNCCc2cc[nH]c2)cc1 27644118 LCZVSJGNOKPONK-UHFFFAOYSA-N 391.581 2.943 0 1 GFAF CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1C=C(OC)C(=O)OC 2356754435 CHASADHUGZYMJT-CUMKQXGYSA-N 384.476 2.700 0 1 GFAF NCC(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1 72109184 UENKIJBSQWAMCX-UHFFFAOYSA-N 383.402 2.873 0 1 GFAF NS(=O)(=O)c1cccc(-c2cc3ccncc3cc2OC2CCNCC2)c1 40938645 YRJJHSHJVQPPNR-UHFFFAOYSA-N 383.473 2.680 0 1 GFAF CNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)c(F)c1 84670689 DABFIICBZLUPJU-UHFFFAOYSA-N 395.478 2.946 0 1 GFAF COc1cc2nc(NCCc3ccc(O)cc3)nc(NC[C@H](C)O)c2cc1OC 82129056 QNGUFRSDHLKLMS-ZDUSSCGKSA-N 398.463 2.800 0 1 GFAF Nc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)ccn1 144717605 RJWUWXCZZGCGJU-MRXNPFEDSA-N 379.420 2.846 0 1 GFAF COC(=O)[C@H]1CO[C@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 238770923 MXHRBHXSJSGQKW-UCCHTYBYSA-N 384.476 2.920 0 1 GFAF O=C1NCCOCn2nncc2CC[C@@H]1Cc1ccc(-c2ccccc2)cc1 95663771 YYYZKQHYMTWHLL-HXUWFJFHSA-N 376.460 2.841 0 1 GFAF CCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 253636833 BPECEJDPRFPPQD-SNJHDSHBSA-N 395.499 2.919 0 1 GFAF CC(=O)Nc1nc(O)c2nc(-c3c[nH]c4cccc(Br)c34)[nH]c2n1 299859271 FRVLWXQOJQONBU-UHFFFAOYSA-N 387.197 2.928 0 1 GFAF COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395368 QJMXVGHYAKVHFV-NRFANRHFSA-N 384.432 2.515 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)([C@@H](N=O)C(=O)Nc1ccccc1OC)[C@@H](C2)C3=O 587433500 RKUWSXCTYLHOTP-JBZDTAIVSA-N 396.399 2.984 0 1 GFAF Cc1cc(C)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c1 587184843 FEBALFRLFXYKHD-UHFFFAOYSA-N 396.188 2.732 0 1 GFAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(O)ncnc2[nH]1 587231874 WNSWBRDTRXCAOQ-UHFFFAOYSA-N 390.403 2.948 0 1 GFAF CCOC(=O)[C@@]1(c2cnc3ccccn23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435293 DDGGSVGXGYTLEN-SPLOXXLWSA-N 378.384 2.549 0 1 GFAF CCOC(=O)[C@]1(c2cnc3ccccn23)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963639501 VIBQFQPCBGYLNZ-RCDICMHDSA-N 395.459 2.692 0 1 GFAF CCc1c(-c2ccc(N3C[C@H]4CCCN[C@H]4C3)cc2)nc(O)c(C(=O)O)c1O 1772639703 CHFQWHJSGYEFBZ-CJNGLKHVSA-N 383.448 2.609 0 1 GFAF Cc1cc(S(=O)(=O)NC2=NCc3nc4ccccc4n32)c(S)cc1Cl 5889045 PZPKZGOUEZNQNG-UHFFFAOYSA-N 392.893 2.983 0 1 GFAF NC(=O)[C@H]1CCCN(Cc2ccccc2-c2nc(O)cc(C(F)(F)F)n2)C1 19794707 PWERRVHYJAQJAO-LBPRGKRZSA-N 380.370 2.565 0 1 GFAF NC[C@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@@H]1c1cc(F)ccc1F 169312423 OQDIWJLBGXDEKC-HOCLYGCPSA-N 388.414 2.827 0 1 GFAF C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cc2ncncc2C(=N)N1 1857541561 BRCYVPIMBJJFFF-FQEVSTJZSA-N 394.385 2.789 0 1 GFAF C[C@](O)(CN1CCCS1(=O)=O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148602099 PLSFTUALDRVFLQ-IBGZPJMESA-N 394.443 2.859 0 1 GFAF OCCCCn1cc(Cn2ncc3c(SCc4ccccc4)ncnc32)nn1 1655119 JKAPMTFJFBHHBU-UHFFFAOYSA-N 395.492 2.531 0 1 GFAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4038950 SSFJQRCRWPWGQK-ZJOUEHCJSA-N 381.476 2.732 0 1 GFAF CCOC(=O)N1CCN(C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)CC1 4950616 UOHANJJZZXNZEA-UHFFFAOYSA-N 399.472 2.966 0 1 GFAF COc1ccc(CN2C[C@@H]3CN(C(=O)Nc4ccccc4)CCN3C2=O)cc1 2356301926 HVEBCKDFUWKBBU-SFHVURJKSA-N 380.448 2.849 0 1 GFAF COc1ncccc1C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55282376 NTTPZCPMWYKWTK-IBGZPJMESA-N 398.482 2.656 0 3 GFAF CCN(CC)C[C@H]1CCCCN1CC(=O)N1C[C@H](C)C(=O)Nc2ccccc21 22863738 REKXQUNAUIKCRQ-ZWKOTPCHSA-N 386.540 2.804 0 1 GFAF COc1ccc2c(c1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 28637274 JBRRGFMFRMQBDL-MSOLQXFVSA-N 383.400 2.873 0 1 GFAF CCNC(=O)N1CC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218976687 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DHVVEKYTXSZJJF-UHFFFAOYSA-N 375.314 2.687 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CCC)(CC(=O)N[C@@H]1CCOC1=O)CC2=O 587469526 IZJYSPLJPNQELV-QVKFZJNVSA-N 389.448 2.671 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@]3(CCC34CN(C(=O)OC(C)(C)C)C4)c3cccc1c32 963025395 JYXDQEBNYSFTTL-JLCFBVMHSA-N 383.492 2.966 0 1 GFAF C[C@H](Oc1cccc([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1)C(=O)O 963032762 VEZHXBRVJBAAOV-VVYDWRJNSA-N 380.444 2.855 0 1 GFAF C[C@@H](c1ccccc1)c1nc(-c2cnc(N)c(-n3nnc4ccccc43)n2)nn1C 1772653572 DNOHRINNWCXLGD-ZDUSSCGKSA-N 397.446 2.740 0 1 GFAF C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)[C@@H]1C 13115629 RXYOYKPUJVQAKL-OUMSGZHISA-N 393.434 2.673 0 1 GFAF O=C(NCCc1ccncc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167692819 CEVGFKHYIKTWRW-UHFFFAOYSA-N 388.471 2.607 0 1 GFAF O=C(N[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 101530735 RECDVKIIQHZYPD-CALCHBBNSA-N 376.453 2.845 0 1 GFAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCC3 1857574074 YEKBFFOMQBXXFP-UHFFFAOYSA-N 384.501 2.993 0 1 GFAF CN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CO)CC(C)C 1692687 UHVSQRROPNCAHP-UNMCSNQZSA-N 384.520 2.919 0 1 GFAF COc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 4893254 WOBYUEXPEIGDAA-UHFFFAOYSA-N 375.446 2.957 0 3 GFAF O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)[C@H]1C(=O)c1cccs1 100281444 LAKHKGBLDBNBHN-IRXDYDNUSA-N 377.425 2.690 0 1 GFAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(O[C@@H]4CCOC4)cc3)c3c(N)nccn32)C1 100619166 BQKRUTMAZPZSIA-NVAPDCRFSA-N 380.448 2.775 0 1 GFAF C[C@H]1CN(CCCn2nc3ccccn3c2=O)CCN1c1cccc(Cl)c1 27089148 JEZUUZZPUBFISZ-INIZCTEOSA-N 385.899 2.750 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C(=O)[C@@H](C)[C@]2(O)CCc2ccoc2)C1(C)C 2356634999 RWOAGXCXGZWXLF-NKRAAQBISA-N 392.492 2.897 0 1 GFAF COc1cc2ncnc(NNC(=S)NC(=O)c3ccc(C)cc3)c2cc1OC 84707773 KKYFNSOAMMWGTN-UHFFFAOYSA-N 397.460 2.587 0 1 GFAF C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OC[C@@H]1CCCN1C 82084052 QVEFLDLZJJDWRK-HIFRSBDPSA-N 388.493 2.642 0 1 GFAF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccccn2)CC1 95602422 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CCOc1cccc(C(=O)[C@@H]2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(C)o2)c1 169687192 WGHTZYCMNVJQDY-MSOLQXFVSA-N 385.416 2.585 0 1 GFAF COc1ccc(OCCNC(=O)C(C)(C)n2cc(-c3ccccn3)cn2)cc1 206059108 KZRPUERMZQDYGP-UHFFFAOYSA-N 380.448 2.884 0 3 GFAF O=C(c1ccc2sccc2c1)N1CCn2c(nnc2C(=O)N2CCCCC2)C1 205230488 AQRKEWGXTLGYAM-UHFFFAOYSA-N 395.488 2.775 0 3 GFAF Cc1oc2ncnc(Nc3cccc(Br)c3)c2c1C(=O)NCCO 1857648642 ABBBQABVVOXUDB-UHFFFAOYSA-N 391.225 2.759 0 1 GFAF Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)cc32)cc1 28770490 QFZQTDJQEDJTNU-UHFFFAOYSA-N 395.434 2.888 0 1 GFAF NCCCCCCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101079837 QXMYAVVFXRDBPA-UHFFFAOYSA-N 379.460 2.945 0 1 GFAF N[C@@H](CCC(=O)n1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)O 103194742 UZRDNSHUITYUEJ-AWEZNQCLSA-N 385.807 2.549 0 1 GFAF CCN(CCO)c1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 26468718 AEUKYCORXZFMQY-UHFFFAOYSA-N 384.484 2.847 0 1 GFAF C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)NCCc1c[nH]c2ccccc12 28709810 HDCRPAHMKXIIDN-KUCQQTCKSA-N 377.444 2.750 0 1 GFAF CNC[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C 61922866 VMUIUYUBOUUZSN-JKSBSHDWSA-N 382.504 2.931 0 3 GFAF CN1C(=O)[C@]2(C)S[C@@]1(c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 31904793 HVPHFUKVAWYJPT-NBJYBMASSA-N 378.453 2.623 0 1 GFAF CCC1(CC)CC(=O)N(CC(=O)N2CCN(c3ccccc3Cl)CC2)C1=O 72123290 HGIYTLWFPIRPJA-UHFFFAOYSA-N 391.899 2.554 0 1 GFAF N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4nccs4)nn23)C1 144098858 BOYINUVWSRXXKU-ZDUSSCGKSA-N 392.492 2.919 0 1 GFAF CC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CC1 95895601 AARISULFZWERSM-FSSWDIPSSA-N 396.462 2.694 0 1 GFAF COC(=O)[C@@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2CC[C@H]1O 238751384 DBCVUIBEXPYXAJ-WESRLMAHSA-N 384.476 2.656 0 1 GFAF COc1ccc(-n2nnnc2C)cc1CO[C@H]1CCCN[C@H]1c1ccccc1 473081804 DYWKKTAJJCSHMC-SFTDATJTSA-N 379.464 2.989 0 1 GFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 586938396 JEGUHZMPPGLHIW-SNVBAGLBSA-N 385.449 2.889 0 1 GFAF COc1cncc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 587182706 QWJQFYSJHMZKPI-MRVPVSSYSA-N 383.193 2.685 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116067 MHKCKYZSCFDPKU-UHFFFAOYSA-N 393.350 2.839 0 1 GFAF CCn1cc([C@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517987 YKWGGVYNLFAWSE-HSZRJFAPSA-N 395.503 2.975 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N2CCCC2=C1C(=O)OC 587485129 PRZRICIDOWBZDU-OAQYLSRUSA-N 385.416 2.502 0 1 GFAF C[C@@H](/C=C/C(=O)O)[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587825223 BQHRJWGVIZHDJK-XVZXWIGXSA-N 386.217 2.679 0 1 GFAF COC(=O)c1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cn1 587039891 WVAJZJWYGMZSSF-UHFFFAOYSA-N 376.398 2.610 0 1 GFAF Cc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1C 587184497 ABUOKJSLCSCAEF-UHFFFAOYSA-N 396.188 2.727 0 1 GFAF O=C1C[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1c1ccc(F)cc1 587652114 WJLXPQPXVWADAU-LBPRGKRZSA-N 385.782 2.882 0 1 GFAF CCO/C=C(/C(=O)OCC)[C@@]1(C(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424012 WDJROANGORKWAJ-WGPXRFPHSA-N 382.359 2.930 0 1 GFAF CN(c1ccc(-c2csc(-c3cnn4cccnc34)n2)cc1)S(C)(=O)=O 587923778 NWDALKUCENVPDA-UHFFFAOYSA-N 385.474 2.916 0 1 GFAF Cc1nn(C[C@]2(C)NCCc3ccc(O)cc32)cc1I 963342748 SQQUZKGATATVIU-HNNXBMFYSA-N 383.233 2.563 0 1 GFAF COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)cc(OC)c1OC 13681636 CZGMEOAMQWAJOY-UHFFFAOYSA-N 378.384 2.761 0 1 GFAF COc1ccc2c(CC(=O)O)nn(Cc3nc4ccccc4s3)c(=O)c2c1 13860797 CJXQYMBSOGRKNU-UHFFFAOYSA-N 381.413 2.690 0 1 GFAF CCOC(=O)CCc1c(C)nc2nc(NCc3ccccc3Cl)nn2c1O 15668919 PDXQLNAZRQAIPY-UHFFFAOYSA-N 389.843 2.900 0 1 GFAF Cc1ncc([C@@H](CNC(=O)c2c(Cl)cccc2Cl)N2CCOCC2)cn1 207632513 KPTGZRDOBIPGNV-MRXNPFEDSA-N 395.290 2.895 0 1 GFAF CNC(=O)C(=O)NCCCC/C=C\CCCCCCCCCc1nc(=O)o[nH]1 1857580547 CZRLUVTWHXAIHM-VURMDHGXSA-N 394.516 2.615 0 1 GFAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cccc2cc[nH]c12 34083242 KMAONNMKJNVIOD-OAHLLOKOSA-N 375.428 2.724 0 1 GFAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCOCCO 4213637 RNEIXQNGCLCKKE-VQTJNVASSA-N 392.496 2.834 0 1 GFAF COCC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 100970654 PJPXRJZYIMVERE-IYBDPMFKSA-N 381.384 2.514 0 1 GFAF Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(C)CC2)cc1 22458168 ISMOUKGBNGPKBE-QFBILLFUSA-N 393.578 2.712 0 3 GFAF CN1C(C(=O)Nc2nc3ccccc3s2)=C(O)c2ccccc2S1(=O)=O 28229992 QHMQITUIIPNGKQ-UHFFFAOYSA-N 387.442 2.796 0 1 GFAF C[C@@H](CN(C)C)NC(=O)c1cn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2 64504007 YUFYZTLNZSEGDI-AWEZNQCLSA-N 396.539 2.615 0 1 GFAF CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C)c(O)c(C(C)=O)c2O)c1O 238731733 JTTAKZOEFIMGKM-UHFFFAOYSA-N 376.361 2.533 0 1 GFAF COc1cccc(CNC(=O)c2nc3ccc(C(F)(F)F)cc3c(=O)[nH]2)c1 149664190 REMCEJAOJUCELM-UHFFFAOYSA-N 377.322 2.881 0 1 GFAF COc1ccc2c(c1)CN1C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)C[C@@H]21 96020191 GVABSHSPEYWDOT-KRWDZBQOSA-N 376.409 2.657 0 3 GFAF COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C1 263590358 ULZQCARGUCWEAH-WBVHZDCISA-N 390.436 2.566 0 3 GFAF Cc1cc(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1Br 586976441 KRPJUDLVNYZISI-UHFFFAOYSA-N 380.267 2.872 0 1 GFAF CCOc1ccc([C@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401717 XBPKXGGUESEABG-JOCHJYFZSA-N 397.427 2.969 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nn(C)cc1I)O2 587387313 QPGHNXOZUXJRIB-HNNXBMFYSA-N 397.216 2.796 0 1 GFAF COC(=O)/C(=C\N(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574608 XWADELIEQPESBN-LNUGPWJYSA-N 383.400 2.731 0 1 GFAF COC(=O)c1ccnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c12 587117615 FXECOXDOFBLERD-UHFFFAOYSA-N 392.297 2.663 0 1 GFAF CCOC(=O)C[C@@H](C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC 587441655 LNVHLXOIKRYIAC-QDUSTFBWSA-N 390.432 2.724 0 1 GFAF C[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)N1CCOCC1 587655734 ABGSVKKZGHLTLQ-ZDUSSCGKSA-N 399.397 2.703 0 1 GFAF CCOC(=O)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742912 UZSRUNGLCFFVIO-HDKSMCJESA-N 385.277 2.956 0 1 GFAF Cc1c(F)ccc2c1[C@]1(NCC2)C(=O)N(n2c(C)nnc2C)C2=CCCC[C@@H]21 962374523 KZOYESXOANCKEH-KKSFZXQISA-N 381.455 2.546 0 1 GFAF CCn1c(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)nc2ccccc21 1772655632 DEXGFAXQNLFLOJ-PTNGSMBKSA-N 384.461 2.715 0 1 GFAF C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 5067715 NKCJLLSGDIRBCN-GOEBONIOSA-N 375.494 2.550 0 3 GFAF Cc1n[nH]c2c[n+]([O-])c(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 14962190 RFHGUSOCWHDKIH-KRWDZBQOSA-N 375.432 2.516 0 1 GFAF CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)O 150212044 ZISPKNCFJPEARQ-UHFFFAOYSA-N 397.422 2.699 0 1 GFAF COc1ccc(-c2ccc3c(c2)COCC(=O)N3CCN2CCOCC2)c(C)c1 205225116 VJQAFZNPWYTYNS-UHFFFAOYSA-N 396.487 2.866 0 3 GFAF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(NS(C)(=O)=O)cc1 1857545414 XYBHYLLAGHAGIY-CQSZACIVSA-N 398.488 2.950 0 1 GFAF N#CN1CC[C@@H](N2CCCN(c3cccc(-c4ccccc4)c3)S2(=O)=O)C1 1857597450 XSKBAODVSLVLQG-HXUWFJFHSA-N 382.489 2.666 0 1 GFAF CC(=O)Nc1ncc(CN2CC[C@]3(CCN(c4cc(C)nc(C)n4)C3)C2)s1 1857608436 STVCSJOIRVREDB-IBGZPJMESA-N 386.525 2.611 0 1 GFAF NC(=S)c1cccc(-c2cn(CC3C[C@@H](O)[C@H](O)C3)c3cc(CO)ccc23)c1 1857613552 ONJMAZJWYVLYJH-NHCUHLMSSA-N 396.512 2.567 0 1 GFAF CN(CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)Cc1ccccc1 2497651 DDXNKHGZLYDSCM-UHFFFAOYSA-N 378.428 2.910 0 3 GFAF COc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)nn1 28456020 WMABENJISIVCJA-UHFFFAOYSA-N 397.357 2.738 0 1 GFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356694775 HMFMZNOIEXKYSR-BQJUDKOJSA-N 399.535 2.592 0 1 GFAF COc1cc([C@H]2c3cc4c(cc3Cn3nncc32)OCO4)cc(OC)c1OC 28872643 XPUQIRIZHDSVJJ-IBGZPJMESA-N 381.388 2.575 0 1 GFAF CN1CCC(C(=O)N2Cc3c(n[nH]c3NC(=O)c3ccsc3)C2(C)C)CC1 71315856 YYOQLHOTDBEPGW-UHFFFAOYSA-N 387.509 2.643 0 1 GFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCc3ccccc32)nc1 199940277 OUGPWAYPJACNDJ-UHFFFAOYSA-N 383.477 2.927 0 1 GFAF COc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)C)[nH]c12 222324945 XSKUPHVJGXGXQJ-UHFFFAOYSA-N 391.435 2.812 0 1 GFAF COc1ccc([C@H]2CC(=O)C[C@@H](CCn3cc(-c4nccn4C)nn3)O2)cc1 96018638 RPOQYVKVQUBIED-IEBWSBKVSA-N 381.436 2.567 0 3 GFAF Cc1cc(Cc2ccccc2)c(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)n1 96271796 ONFIEJUCDATLHE-UHFFFAOYSA-N 377.400 2.510 0 1 GFAF COC(=O)[C@@H]1C[C@]23C4=C(CC[C@@H]5[C@H]6O[C@H](C[C@@H]7[C@H](C)CN6[C@@]72O)[C@@]53C)CC[C@@H]41 255255913 ORBDSRKROUDKMY-QYEPFXFHSA-N 385.504 2.687 0 1 GFAF C[C@H](CN1CCOCC1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661592 ROSYTJRPOQEAGR-OAHLLOKOSA-N 395.434 2.811 0 1 GFAF COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)nc3[nH]2)cc1 586920492 LMXCQELWZHDCPP-UHFFFAOYSA-N 382.239 2.703 0 1 GFAF N=c1[nH]c(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cs1 587661299 NLXIRTFWWJUTHC-UHFFFAOYSA-N 380.404 2.955 0 1 GFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(C)=O)c2cn1)c1ccc(F)cc1 1772606490 KGAFBIKDOHNXCE-OAHLLOKOSA-N 386.387 2.565 0 1 GFAF NCc1cc(Oc2cccc(C(=O)N3CC[C@@H](O)C3)c2)nc(C(F)(F)F)c1 1772579305 LJHFUFVRZNYVMK-CYBMUJFWSA-N 381.354 2.558 0 1 GFAF Cc1ccc(-n2cc(COC(=O)[C@@H](N)Cc3cc4ccccc4[nH]3)nn2)cc1 1772655179 LAZYQVZOJBVYFS-IBGZPJMESA-N 375.432 2.670 0 1 GFAF COc1cccc(C2=N[C@@](C)(CC(=O)NCCOc3ccccc3)ON2C)c1 205221953 WCRXVMRZALUDFP-OAQYLSRUSA-N 383.448 2.620 0 3 GFAF NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2F)cc1 114358834 XLJGEMMAUPQYOF-UHFFFAOYSA-N 388.218 2.880 0 1 GFAF COC(=O)CCCOc1ccc[n+]2c1[C-](CC(N)=O)[C@H](C)[C@@H]2Cc1ccccc1 53650921 KZDWTURLQLVJQI-LPHOPBHVSA-N 396.487 2.538 0 1 GFAF O=C1CC[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(Cl)c2)N1 103239951 ZRKHTEJYISNKOY-INIZCTEOSA-N 396.871 2.949 0 1 GFAF CCNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1 103260591 RZHUFHGNDAWQOJ-UHFFFAOYSA-N 385.394 2.657 0 1 GFAF CNc1nc(NCCCN(C)C)c2sc(-c3ccc(C(N)=O)cc3)cc2n1 103263129 HAPGJPKTQWZRQC-UHFFFAOYSA-N 384.509 2.863 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@](C)(C(=O)O)[C@@H](O)CC[C@@]13C 2356324261 IENPACSJMLTPMG-MXGVOXBCSA-N 394.508 2.749 0 1 GFAF CC(C=C[C@H](O)CC=C(C)C=C[C@H](O)C[C@@H]1OC(=O)C(C)=C(O)[C@H]1C)=CCO 2356327824 JGMRIWYAEMPDLG-RNQOJCNYSA-N 392.492 2.879 0 1 GFAF COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1S(=O)(=O)c1ccccc1 27082428 UDJFUPPIMHPAPB-RHSMWYFYSA-N 393.848 2.781 0 1 GFAF Cc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3ncnc(N4CCOCC4)c32)cc1 61959680 BPIKNRIPVICKFE-SFHVURJKSA-N 395.507 2.995 0 3 GFAF CC(C)NC(=O)N[C@H]1CCN2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C1 3840269 SKWXFFIACRZXLD-JSGCOSHPSA-N 398.385 2.713 0 1 GFAF biogenic NC1CN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 45355965 PEENLCMAOCPFKF-UHFFFAOYSA-N 378.457 2.696 0 1 GFAF COc1cncc([C@H](NC(=O)c2cccc(-n3cccn3)c2)C2CC(O)C2)c1 230465518 PFWZVUAKETZGSZ-PKUWUEBNSA-N 378.432 2.518 0 1 GFAF CCn1nccc1[C@]1(CC(=O)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587517800 VLVXJXDKMRMTCH-JOCHJYFZSA-N 396.443 2.775 0 1 GFAF CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 587396578 UJXXCEWQRDKOEP-FDDCHVKYSA-N 394.471 2.976 0 1 GFAF CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(C)cc3[nH]2)n(C)c1 586946986 HGDDMQYHYVMVHM-UHFFFAOYSA-N 383.271 2.547 0 1 GFAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586922578 WVYINRDPNKGOQV-UHFFFAOYSA-N 376.335 2.569 0 1 GFAF CCn1ncc(I)c1[C@]1(C)NCCc2ccc(O)cc21 963330145 VQWHSHJELVSQHW-OAHLLOKOSA-N 383.233 2.622 0 1 GFAF CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962906613 HHAINQMKHLPSGX-YRNRMSPPSA-N 396.434 2.989 0 1 GFAF C[C@H]1CN(Cc2ccccc2)C[C@H]1c1nc(=O)c2cnc(-c3cccnc3)n2[nH]1 1772635412 QLHVOVBIRWGIOW-MAUKXSAKSA-N 386.459 2.715 0 1 GFAF COc1ccccc1N1CCN(CCN2CCN(c3ccc(F)cc3)CC2)CC1 1772584601 WHNZTGNWSHOSLN-UHFFFAOYSA-N 398.526 2.779 0 1 GFAF O=c1n(CN2CCN(c3cccc4ccccc34)CC2)c(O)c2n1CCCC2 169717627 RVLIXCVTIMGVDX-UHFFFAOYSA-N 378.476 2.625 0 1 GFAF CC(C)CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccsc2c1=O 2925085 NGCKMSMLZJOIMB-ZDUSSCGKSA-N 395.550 2.891 0 1 GFAF c1ncc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)cn1 100106765 COTFTVJKWALVFA-JHDGKUDLSA-N 386.455 2.812 0 1 GFAF OCC(CO)N1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28016843 FPMPUNRITMVLEJ-IRLDBZIGSA-N 388.458 2.512 0 1 GFAF O=C(Nc1cnn(S(=O)(=O)c2cc(Cl)ccc2F)c1)c1ccccn1 116775440 SDWVHCXUMZTZQN-UHFFFAOYSA-N 380.788 2.560 0 1 GFAF CCC(C)=CC(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C 2356682179 GOYCTRMVTOTXSN-YRBAXGGRSA-N 376.449 2.554 0 1 GFAF CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@H]1c1coc2ccccc2c1=O 71333790 HYRMMULMPWIDQR-LBPRGKRZSA-N 382.294 2.526 0 1 GFAF Cc1cc(Nc2nc(C(=O)N3CCCC3)cn3c(-c4cn[nH]c4)cnc23)sn1 72110998 SMAYBYUGIIIPKY-UHFFFAOYSA-N 394.464 2.864 0 1 GFAF COc1cc2c(cc1OC)[C@@H]1Cc3c(CO)c(OC)cc(OC)c3CN1CC2 84726858 FDMHBTAXJFCYLV-SFHVURJKSA-N 385.460 2.869 0 1 GFAF Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCn2ccnc2)cc1 199947956 FHCWDHZJHGHGAC-UHFFFAOYSA-N 387.509 2.691 0 1 GFAF Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 148846347 DSWGOVYHCBKYGU-UHFFFAOYSA-N 398.423 2.850 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 95793942 WLXKYRYHXSMASN-QUCCMNQESA-N 397.450 2.809 0 1 GFAF N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(N)=O)c2)cc1 149869812 PXMXCALLMFUIOY-UHFFFAOYSA-N 389.415 2.938 0 1 GFAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cn[nH]c5)cc34)cn2)CC1 96274037 JXNXZCJQWOEXJV-UHFFFAOYSA-N 391.435 2.847 0 1 GFAF C=CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 618017432 KUVONSDLBJWBNY-LLVKDONJSA-N 378.372 2.709 0 1 GFAF CS(=O)(=O)N1CCC(Nc2ccnc(Nc3ccc(Cl)cc3)n2)CC1 299833693 VXBSJPRHMJZPDS-UHFFFAOYSA-N 381.889 2.710 0 1 GFAF COc1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2n1 587182289 NVTBEQYRLBOBLY-MRVPVSSYSA-N 383.193 2.685 0 1 GFAF COC(=O)c1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2n1 586974910 XVOBMPHRWLIUIF-MRXNPFEDSA-N 384.461 2.855 0 1 GFAF COC1([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CCOCC1 962973252 JSNWKLLNZQVRMY-MLGOLLRUSA-N 375.799 2.628 0 1 GFAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(C)C1=NCCS1 963146364 NAMGPTATPKUPSO-QLJPJBMISA-N 383.495 2.750 0 1 GFAF COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cc[nH]n2)CC1 12316263 BYKRVIRTZAFIRN-UHFFFAOYSA-N 380.452 2.704 0 3 GFAF Cc1cccnc1-c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1 13812843 ZMZLLFAAVADZCJ-UHFFFAOYSA-N 382.367 2.909 0 1 GFAF Nc1ncnc2c1c(-c1cc(Cl)cc(Cl)c1)cn2[C@@H]1O[C@H](CO)C[C@H]1O 1857566703 UPWNEWNHTYUBLH-XTQGRXLLSA-N 395.246 2.628 0 1 GFAF Nc1nn2c(=O)cc(-c3ccc4c(c3)OC(F)(F)O4)[nH]c2c1-c1ccccn1 1857596020 KPVLSAUFOXMSBW-UHFFFAOYSA-N 383.314 2.655 0 1 GFAF CCc1c(C)nc2ncnn2c1N1CCC[C@@H](C(=O)NCc2cccs2)C1 4898186 TWUIXWWWFCSPCX-CQSZACIVSA-N 384.509 2.589 0 3 GFAF CC1(C)OC(=O)C(Oc2ccc(F)cn2)=C1c1ccc(S(C)(=O)=O)cc1 26953909 SJQHTKCFPLTJMC-UHFFFAOYSA-N 377.393 2.750 0 1 GFAF CCOC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 28109278 NGDXDQSSXJGFDM-RKCFAAOBSA-N 383.488 2.829 0 1 GFAF COc1ccccc1C(=O)NC[C@@H]1Cn2cc(-c3ccccc3OC)nc2CO1 2356298875 HLBMEADUYFPTOS-OAHLLOKOSA-N 393.443 2.896 0 1 GFAF COc1ccc(S(=O)(=O)N(Cc2ccc(F)nc2)[C@@H](C(=O)O)C(C)C)cc1 28865165 JOIDQCSRISGBOH-QGZVFWFLSA-N 396.440 2.529 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3C(=O)C[C@@H](C)[C@H]2[C@H]3[C@@]1(C)COC(C)=O 2356524856 PVAHTNYAMKYLCM-JQBQJVLNSA-N 392.492 2.676 0 1 GFAF CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O 25395761 LDFNPLDMEUZCKT-XGHMHFBMSA-N 389.471 2.924 0 1 GFAF CN(c1ccc(N2CCOCC2)cc1)c1ncc(-c2cn[nH]c2)n2ccnc12 73297347 LKDKLEVJIHSSPG-UHFFFAOYSA-N 375.436 2.724 0 1 GFAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cccc(OC(F)F)c1 221917199 PKRAGBQEVPWLDS-MISXGVKJSA-N 394.378 2.957 0 1 GFAF O=C(O)[C@H]1CCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144798630 DKYZGTLLMZKLHJ-QAPCUYQASA-N 377.318 2.764 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@H]3C[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 254201048 SSEWIUPYEWEJEH-VCRFCNJVSA-N 380.525 2.657 0 1 GFAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccccc32)CC1 261105010 HGYRICRWNWOJQS-SAABIXHNSA-N 391.537 2.644 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1[C@@H](C(=O)O)NC[C@@H]1C3 586989357 GEGQTJCJBVYELX-SXKUGOIWSA-N 386.407 2.539 0 1 GFAF COc1cc(Br)c([C@@H](N)c2nc3cc(N)c(N)cc3[nH]2)cc1OC 586974203 CSXLUFZGXWVFSV-OAHLLOKOSA-N 392.257 2.555 0 1 GFAF CCOC(=O)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587742674 SUZZGTIINSUGIQ-XMDPKCGCSA-N 385.277 2.956 0 1 GFAF COc1ccc2c(c1OC)[C@@H](Cn1cccn1)N(C(=O)c1ccccc1N)CC2 963141374 NYHCORQXMLAULN-GOSISDBHSA-N 392.459 2.922 0 1 GFAF N=C1O[C@H](c2cccc(Cl)c2)C(NNS(=O)(=O)c2ccccc2)=C1O 5647058 MVXSDCURXVCFJJ-OAHLLOKOSA-N 379.825 2.641 0 1 GFAF CO[C@H](C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1)c1ccccc1 12442900 FNVYXTUCXHNOEC-IBGZPJMESA-N 382.464 2.783 0 3 GFAF NS(=O)(=O)Oc1ccc2c(c1)[C@@H](O)C[C@@H](C13CC4CC(CC(C4)C1)C3)O2 13491355 BSAFHRHNJBXDTM-LQVGRZKASA-N 379.478 2.670 0 1 GFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccn1 203532442 WLPRZUGHQHLASH-UHFFFAOYSA-N 387.823 2.963 0 1 GFAF NC1CCN(C(=O)c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1 205257036 SBESMDFHOZSXSF-UHFFFAOYSA-N 399.458 2.645 0 1 GFAF N=C(N)c1ccc(OC(=O)c2ccc(Cn3cccc3C(=O)O)s2)c(F)c1 205923769 FIQOBFTVRYSLKW-UHFFFAOYSA-N 387.392 2.938 0 1 GFAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@@H]1c1ccccc1Cl 1857556047 NGGXDQCJATZIPA-QGZVFWFLSA-N 393.852 2.620 0 1 GFAF CC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1N 13525422 UFMQBZMXMOPTKF-MEBBXXQBSA-N 391.418 2.876 0 1 GFAF Nc1nc2c(nc(Br)n2[C@H]2CCCCc3ccc(F)cc32)c(=O)[nH]1 26017959 RCVZAWFRNVHKCM-NSHDSACASA-N 392.232 2.919 0 1 GFAF COc1ccccc1N1CCN(CCOc2ccc3c(c2)SCC(=O)N3)CC1 27525118 GCZVWCSRHAZUDO-UHFFFAOYSA-N 399.516 2.940 0 1 GFAF C#C[C@H](OC(C)=O)[C@]12CCC(=O)C=C1C(=O)C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 38496113 OTBPDDRBTVTJBK-BGHDJBMGSA-N 382.456 2.811 0 1 GFAF C[C@@H]1CN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CCN1 58576003 SFSGIDJMRRLJFG-OAHLLOKOSA-N 394.523 2.785 0 1 GFAF NC1=N[C@H](c2ccc(F)cc2)NC(NCCCOc2ccc(Cl)cc2)=N1 71281128 UAMVKJSGQNXWSU-INIZCTEOSA-N 375.835 2.810 0 1 GFAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccco2)C1 82224922 JCEBGHMVNZYVIH-GOEBONIOSA-N 399.495 2.935 0 1 GFAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CCCC1 95894939 NQZSYQKSNDKNBI-YPAWHYETSA-N 379.504 2.717 0 1 GFAF O=C(NCC1CCOCC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166865132 JBVXMCIEZXOXIU-UHFFFAOYSA-N 380.448 2.786 0 1 GFAF CNC1(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)n3)cc2)CC1 202067463 SFBBTNSTOUGSHX-UHFFFAOYSA-N 385.471 2.887 0 1 GFAF c1cc(-c2n[nH]c3cnc(-c4cnn(C5CC5)c4)cc23)nc(N2CCNCC2)c1 205266663 BMHDMTOGIQRECR-UHFFFAOYSA-N 386.463 2.628 0 1 GFAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 238730860 HKRMRITZYIPSSH-XGUXYOJTSA-N 378.509 2.877 0 1 GFAF O=C(COc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1)Nc1ccccc1F 587153742 BOXRQQHGIUNCSA-UHFFFAOYSA-N 395.350 2.588 0 1 GFAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(O)ncnc3[nH]2)c(O)c1 587240722 PNUFIUDJAQVMOT-UHFFFAOYSA-N 375.388 2.921 0 1 GFAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)C[C@H]1C(=O)O)[C@@H](C2)C3=O 587437919 LZTGJFAAZCIAFQ-IUKKYPGJSA-N 393.439 2.788 0 1 GFAF COCCCN=c1[nH]c(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587449108 DZVSEYHKYODLBM-VLIAUNLRSA-N 388.489 2.993 0 1 GFAF CC(C)[C@@]1(c2nccn2C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638036 RSEFGRFWLWKNFA-YVEFUNNKSA-N 383.370 2.817 0 1 GFAF C[C@]1(c2ccccc2S(C)(=O)=O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962716354 UGQHQJLESFGFPK-YJBOKZPZSA-N 397.418 2.999 0 1 GFAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2OCCO2)cc1F 1772634621 METAEPLMRZAVNG-UHFFFAOYSA-N 393.849 2.521 0 1 GFAF CCOC(=O)C1=C(CO)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 1857763105 OGTPMIGIIQJULS-AWEZNQCLSA-N 395.843 2.836 0 1 GFAF Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1C 4110468 JPSPRAHCWWNSRJ-UHFFFAOYSA-N 390.490 2.567 0 3 GFAF O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4050487 PGAGIBQZSIFISM-UYAOXDASSA-N 381.432 2.500 0 1 GFAF COc1cccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 106551968 BQNMLUSOHBPLEA-RBUKOAKNSA-N 390.395 2.835 0 1 GFAF C[C@H]1CNC(c2ccc(-c3nnc(-c4ccc(C5=N[C@@H](C)CN5)cc4)o3)cc2)=N1 27651718 JEJDYPYCWLLMFV-KBPBESRZSA-N 386.459 2.880 0 1 GFAF CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)O[C@@H]2C[C@H]3CC[C@@H]2C3)c1C 28817273 YUCQEDZULBKWMG-GVDBMIGSSA-N 389.496 2.623 0 1 GFAF Cc1nc(-c2cnccn2)sc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 117721429 RWYDLOSLSOYPTC-INIZCTEOSA-N 381.461 2.822 0 1 GFAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@H]3C=C(CO)[C@@]12O 2356722835 REHNZVPVFKWZNO-GNJMBYCFSA-N 388.460 2.667 0 1 GFAF O=C1N(c2ccc3ncsc3c2)CCN1c1cnccc1CN1CCOCC1 148005138 LADCXVZNJGIFEL-UHFFFAOYSA-N 395.488 2.970 0 1 GFAF CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)Nc2ncccc23)CC1 96913558 BOMYBXNCZBOHBY-UHFFFAOYSA-N 388.468 2.803 0 1 GFAF COC(=O)c1nc(Br)c2cccnc2c1N[C@H]1CC[C@H](N)CC1 254133960 GVNTZXNYOWTPAN-MGCOHNPYSA-N 379.258 2.861 0 1 GFAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 299878598 JIVFPOLGVJBIKA-HEFCMCLBSA-N 384.480 2.504 0 1 GFAF O=C1c2ccccc2C(=O)N1C/C=C/CN1CCN(Cc2ccccc2)CC1 653714952 CGLXRQKXTDUFIW-VOTSOKGWSA-N 375.472 2.657 0 1 GFAF O=S(=O)(NCCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Cl)nc1 586941834 CBNVJZNZBSDFFB-UHFFFAOYSA-N 390.774 2.550 0 1 GFAF COc1cc2c3c(c1)O[C@]1(COC4(CN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O 587440511 ATBMNHRNTNBWCX-LHSJRXKWSA-N 387.432 2.591 0 1 GFAF CCOC(=O)[C@H](Sc1nc(NC)c2sc(=S)n(CC)c2n1)C(C)=O 957877276 HSXDKGLMTCKHQO-MRVPVSSYSA-N 386.524 2.897 0 1 GFAF Cc1c(O)ccc2c1[C@@]1(CCC[C@H]1CNC(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963471336 NUPSCCIXOMOUNL-GXZWQRSESA-N 390.480 2.820 0 1 GFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H]([C@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 962916281 CRCGUNQMYNXFFV-CGTJXYLNSA-N 379.391 2.856 0 1 GFAF NC(=O)c1cccc(NC(=O)C2=CC[C@H](c3cc(F)c(F)cc3F)[C@@H](N)C2)c1 14950368 XXQAXMIQRFUFDQ-ACJLOTCBSA-N 389.377 2.973 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)cc(OC)c1O 169224333 FVHJOQIXLMDURD-QRWLVFNGSA-N 390.432 2.553 0 1 GFAF COc1cc(OC)c(N(C)C(=O)Cn2c(=O)oc3ccccc32)cc1Cl 2457133 NNCNPLPKEOLVGE-UHFFFAOYSA-N 376.796 2.928 0 1 GFAF O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)N1CCCCCC1 101680561 WMNLKOZWZSNZST-UHFFFAOYSA-N 383.477 2.967 0 1 GFAF CO[C@@H]1[C@H](OCc2ccccc2)[C@H](OCC(=O)O)O[C@@H](CCC(C)C)[C@H]1OC 53313202 VAEAPLDXQLTUQK-DARKYYSBSA-N 396.480 2.864 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)CC2=CC[C@H](O)[C@H](C)[C@]21C 2356567444 UFRLMTUHNLTWIZ-WPAAMSKVSA-N 376.449 2.818 0 1 GFAF CC(=O)N1CCC(Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)CC1 71334218 ZFUUCXNBMNENRZ-UHFFFAOYSA-N 388.378 2.846 0 1 GFAF N=C(N)NCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)c1nccs1 36184947 VFSIIAOEAPQSEF-INIZCTEOSA-N 395.488 2.541 0 1 GFAF O=c1c2ccccc2nnn1CCN1CCN(c2cccc3ccccc23)CC1 71295555 JQQXUGWNTUCGOI-UHFFFAOYSA-N 385.471 2.767 0 1 GFAF COc1cc(O)c(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC 15271490 YEALILHFFIHIQL-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2O)cc1O 15271780 MSJSUAMCRPCVFM-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic NC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82072182 OKOJZZXHIZBXIM-UHFFFAOYSA-N 381.232 2.594 0 1 GFAF COc1ccc(CCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC 82131868 RSLQXFDYXAYIJZ-UHFFFAOYSA-N 398.463 2.925 0 1 GFAF COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)N3CCCCC3)cs2)c1 82084876 XHKXJAHWQRQCTG-UHFFFAOYSA-N 389.477 2.570 0 1 GFAF Cc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5cccs5)C(=O)[C@H]24)O3)cc1 251462331 HSUDKTFLDVWKLH-IWQHBPENSA-N 394.496 2.655 0 1 GFAF CCOC(=O)[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742910 UZSRUNGLCFFVIO-GVMAILNXSA-N 385.277 2.956 0 1 GFAF CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3cccc(F)c13)c(=O)n2C 587636121 RDEAOZLFGCCFGU-UHFFFAOYSA-N 397.454 2.868 0 1 GFAF CCOc1ccccc1OCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587780927 MDVJTWLIHBHRLN-UHFFFAOYSA-N 375.450 2.791 0 1 GFAF CN1[C@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339912 QZCHWLZGWQDCSQ-CURMYHHVSA-N 383.419 2.856 0 1 GFAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 587042482 KVINNNJPCCTDQE-HNNXBMFYSA-N 397.851 2.848 0 1 GFAF C[C@@]1(c2cnc(C(=O)O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585792 GHHXUMWZFOLDPH-UZLBHIALSA-N 378.340 2.757 0 1 GFAF CN1C(=O)C[C@H]2CN[C@](CC3OCCO3)(c3ccc(F)cc3)c3cccc1c32 963027662 OULLSBPSCUNENM-RCDICMHDSA-N 382.435 2.886 0 1 GFAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963228884 OMZFYHZODBMLBK-LJOBPSPCSA-N 383.448 2.668 0 1 GFAF CC(C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccccc1 1772619530 VURWEUMPSLQNMS-FQEVSTJZSA-N 397.500 2.808 0 1 GFAF COC(=O)[C@@H](CCSC)NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1 6384800 YJYKIZCLINNOKP-GOSISDBHSA-N 385.485 2.871 0 1 GFAF Cc1ccc(S(=O)(=O)N2C(=O)CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 102076231 KQFULCPXYMTDBF-UHFFFAOYSA-N 392.820 2.723 0 1 GFAF O=S(=O)(CC1CC1)NCc1cccc([C@]2(Cc3ccccc3)CCNC2)c1 114248726 LPVHWPGGFBBWCR-QFIPXVFZSA-N 384.545 2.990 0 1 GFAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@@H]3C=C(CO)[C@]12O 2356722837 REHNZVPVFKWZNO-KFYNVEEBSA-N 388.460 2.667 0 1 GFAF CC=C1CN2CCc3c([nH]c4cc(OC)ccc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356725253 BCRDPGDQDVFPNE-GGPKGHCWSA-N 384.476 2.823 0 1 GFAF COc1cc(/C=C(C(=O)O)\C(=C/c2ccc(O)c(OC)c2)C(=O)O)ccc1O 38937118 SPKZMOSDXTYXLK-FNCQTZNRSA-N 386.356 2.751 0 1 GFAF Cc1cc(C)cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1 40862654 XAZBDQHARDGYFI-CVEARBPZSA-N 393.495 2.870 0 1 GFAF COc1ccc2c(c1)C(=O)N1CCC[C@H]1c1nc3ccc(OC)cc3c(=O)n1-2 238768033 YIUZDKJFCJRTGY-SFHVURJKSA-N 377.400 2.694 0 1 GFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586959705 SXTFWTUGWVKZLG-AWEZNQCLSA-N 387.248 2.734 0 1 GFAF CN=c1nc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]s1 587857703 MRPUIQIMGUABIF-ANRSDYALSA-N 385.306 2.895 0 1 GFAF Brc1cnc2c(-c3nc4nc(Br)c[nH]c-4n3)cnn2c1 587005957 BSPQEYDBOILVQM-UHFFFAOYSA-N 395.018 2.539 0 1 GFAF COC(=O)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587202724 LBUCJKBVDINRJG-MRXNPFEDSA-N 397.387 2.792 0 1 GFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)ncc2[nH]1 587223177 AHMIDCNOWVOVJF-JTQLQIEISA-N 375.226 2.804 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(C=CCCN(C(=O)OC(C)(C)C)C1)NCC2 962930548 YMXDYUCVJYMPAC-QFIPXVFZSA-N 385.508 2.926 0 1 GFAF NCc1ccc2c(c1)CC[C@]21N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638456 UCDVWJOYPCNVJK-KXBFYZLASA-N 392.377 2.833 0 1 GFAF CC(C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772647735 JOYRYCMGFKDHHQ-MRXNPFEDSA-N 388.851 2.843 0 1 GFAF Cc1cc([C@H]2CN(C(=O)c3ccc(F)c(F)c3)CC(F)(F)C2)n2ncnc2n1 1772635683 OBFMVPFVQFWXGP-GFCCVEGCSA-N 393.344 2.976 0 1 GFAF CCc1nnc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)s1 4164492 CPEZDFKUCPUWGR-HMEQZMJYSA-N 394.456 2.664 0 1 GFAF C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(CNc3c(N4CCCC4)c(=O)c3=O)cc2)C1 4956046 XBQRYSUYWYGGDT-HZPDHXFCSA-N 395.503 2.613 0 3 GFAF CCn1c(SCC(=O)NC[C@H]2CCCO2)nc2c3ccccc3nc-2c1O 102807841 HYXPURJMQNMNEA-GFCCVEGCSA-N 386.477 2.649 0 1 GFAF C[C@H](CCCCCCCCC[C@H](O)CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 2356513169 UXIWWNCPRZIUAB-CZLFUSQZSA-N 390.517 2.595 0 1 GFAF CC/C=C/c1cccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)c1 34074904 MNAXIKIKEJVUTP-DPQANXPVSA-N 382.416 2.720 0 1 GFAF CSc1n/c(=N\C(=O)Nc2ccc(C)cc2)n2nc(-c3ccco3)[nH]c2n1 49115856 LTFBMYBJINEUDT-UHFFFAOYSA-N 381.421 2.876 0 1 GFAF CC(C)Oc1ccc(-c2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 45387463 JTESHEKKDNFGIY-KRWDZBQOSA-N 392.411 2.542 0 1 GFAF CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1csc(CC)n1 82070693 NHWXBTFXHHOQEO-HNNXBMFYSA-N 382.574 2.842 0 1 GFAF CCCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 82206401 UUNGFAVBODZCEZ-KRWDZBQOSA-N 386.496 2.881 0 1 GFAF Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(F)cc3Cl)N(C)C2=O)cn1 95565866 TXQFOSYFLWTOGH-INIZCTEOSA-N 376.819 2.739 0 1 GFAF CN1CCN(c2cc3[nH]c(Nc4ccc(C(F)(F)F)cn4)nc3cn2)CC1 299834542 YTEBIAUDTCMPLV-UHFFFAOYSA-N 377.374 2.867 0 1 GFAF O=C(CCN1CCN(c2ccccc2)CC1)n1ncc2ccc(Cl)cc2c1=O 587654580 LYLMEXOVIPIOSH-UHFFFAOYSA-N 396.878 2.902 0 1 GFAF CCOC(=O)[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587762054 CTOJZSFQLZYNRK-DYZYQPBXSA-N 396.260 2.663 0 1 GFAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1I 587370493 XKWRNOFWHKFLHG-UHFFFAOYSA-N 395.156 2.716 0 1 GFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2nc(Br)c[nH]c-2n1 587194898 ZGVGHWDIUFJAJQ-VIFPVBQESA-N 399.293 2.585 0 1 GFAF COc1cc(N)c([C@@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c1 963219237 DGWNMCKAXHAGPN-GCJKJVERSA-N 393.443 2.697 0 1 GFAF CN(C)CCc1c[nH]c2ccc(N3CCN(Cc4ccccc4)S3(=O)=O)cc12 13738510 NFLDDZPDKNUJJZ-UHFFFAOYSA-N 398.532 2.839 0 1 GFAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cccnc1O 169207895 OOWZYDKHANTMGH-UHFFFAOYSA-N 376.416 2.592 0 1 GFAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21CON(C)C(N)=N1 201251950 DEBWKFWWFOYEFP-UYJHFMRCSA-N 394.313 2.968 0 1 GFAF CS(=O)(=O)Nc1cccc(-c2cn3c(-c4cccc(CO)c4)cnc3cn2)c1 1857587803 DFRDOUYTQAGHHY-UHFFFAOYSA-N 394.456 2.927 0 1 GFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NC(=O)c2cc3ccccc3s2)cc1 2356457932 CHUNGXOXXUUVIM-CPLUKWAASA-N 383.469 2.918 0 1 GFAF CO[C@H]1O[C@@H](OC)[C@@]2(O)CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]12O 2356391693 ZREXTCZRHMQYKD-PUTHRSPNSA-N 396.524 2.646 0 1 GFAF CCn1c(C(=O)N2CCC[C@@H](C(=O)NCCCOC)C2)cc2sccc21 8605004 QOUUGTGZMCPLCM-CQSZACIVSA-N 377.510 2.728 0 1 GFAF Cc1ccccc1SCc1noc(C(=O)NC[C@H]2CCCO2)c1C(=O)O 8691340 TXVQRPOJHRMIIU-GFCCVEGCSA-N 376.434 2.882 0 3 GFAF O=C1[C@@H]2[C@@H](C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1)[C@H]1C=C[C@H]2C1 101367367 QDNGVIMUWLFPTA-GVARAGBVSA-N 376.865 2.861 0 1 GFAF O=C(C1=CC2=N[C@@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1)N1CCCC1 104032745 WBKHQMRKDZVDET-HIFRSBDPSA-N 382.361 2.926 0 3 GFAF O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@H](CC2CCCCC2)CN1 28894208 LOUIINLOMUCLNF-CQSZACIVSA-N 398.912 2.574 0 1 GFAF CC1=CC[C@H](O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2C(C)=C(C)[C@@H](O)[C@@H]3C1 2356327561 DEPCTRKSAXUTDK-SFTXBDQGSA-N 375.509 2.521 0 1 GFAF CCN(CC)CCNC(=O)c1ccc(NC(=O)COc2ccccc2)c(OC)c1 26010690 CBUOKDNXLXUBBW-UHFFFAOYSA-N 399.491 2.784 0 1 GFAF Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1C(=O)c1ccc(Cl)cc1 25962949 DRZJIUZHBUPPIJ-UHFFFAOYSA-N 376.199 2.767 0 1 GFAF CN1C(=O)C(NCCc2ccc(F)cc2)=C(c2c[nH]c3ccc(F)cc23)C1=O 64436383 NQDCMCWQWCEFGA-UHFFFAOYSA-N 381.382 2.988 0 1 GFAF CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085533 BFFFBEMIXDPBGC-HIFRSBDPSA-N 389.477 2.645 0 1 GFAF O=C(NCCc1c[nH]c2ccc(O)cc12)N1CCN(c2ncccc2Cl)CC1 49054661 UCPBNPYSVDRUJY-UHFFFAOYSA-N 399.882 2.996 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 86010749 BMPRGPGLZWJNOP-HGYBEYAYSA-N 378.465 2.897 0 1 GFAF in-man CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2cccc(OCCF)c2C1=O 95594426 PVFJCVVUTXEUER-UHFFFAOYSA-N 375.400 2.762 0 1 GFAF COc1ccc(OC(C)(C)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@@](C(N)=O)(C4)C3)cc1 263620753 MNVKIDPRYUGTTG-KABHQKTFSA-N 386.492 2.649 0 1 GFAF in-vitro Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1 299856634 KHFVLDFREXVABG-UHFFFAOYSA-N 397.862 2.967 0 1 GFAF NC(=O)Nc1cccc(-c2nc3cc(I)cnc3[nH]2)c1 587242413 SALJPZQXMBFAGQ-UHFFFAOYSA-N 379.161 2.720 0 1 GFAF CC(C)(C)c1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2n1 586954621 DVUGYYKLJWEGGY-UHFFFAOYSA-N 399.520 2.822 0 1 GFAF CCOC(=O)[C@]1(c2nccn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587756996 UBCITUGNKXACJQ-QGHHPUGFSA-N 396.260 2.663 0 1 GFAF CCOC(=O)C[C@]1(C(OCC)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442848 YXXWPCWVFUVAIO-VLIAUNLRSA-N 378.421 2.534 0 1 GFAF O=C1C[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1Cc1ccccc1 587655265 YWBLRPYHCFKHFR-HNNXBMFYSA-N 381.819 2.739 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1 587232304 WHPRHTFDPQYUFK-DLBZAZTESA-N 388.512 2.540 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 587058128 DLYNKRUYNWSZLE-AWEZNQCLSA-N 378.885 2.709 0 1 GFAF CCOC(=O)C(=O)C[C@@]1(C(F)F)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962618197 DAKNXMZQHMRGIW-WYRIXSBYSA-N 385.407 2.563 0 1 GFAF CC[C@@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@H]24 13310435 SISNJMQUMOSGQC-PEYHYLNSSA-N 376.456 2.825 0 1 GFAF CCCn1c(=O)c2c(nc3[nH]c(C(C)(C)C)cn32)n(Cc2ccccc2)c1=O 13648065 HSXKKRPCNBMEOM-UHFFFAOYSA-N 379.464 2.895 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]21C 14782108 BMPRGPGLZWJNOP-ZSVCTQLASA-N 378.465 2.897 0 1 GFAF endogenous,in-man COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@@H]21 150026561 DBCVUIBEXPYXAJ-SDVLLTEKSA-N 384.476 2.656 0 1 GFAF O=S(=O)(Nc1ccncn1)c1ccc2c(OCc3cccnc3)nccc2c1 206089927 UJXJHLBIGDJQAG-UHFFFAOYSA-N 393.428 2.800 0 1 GFAF Cc1ccccc1CCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1 4964915 CLEBSLSFMBTQCP-UHFFFAOYSA-N 386.521 2.980 0 3 GFAF Cc1ccccc1C(=O)NCCN1CCN2Cc3[nH]c4ccccc4c3C[C@@H]2C1 103284074 XRRAYMJTJDQNKC-GOSISDBHSA-N 388.515 2.949 0 1 GFAF COc1cc(C2=NN(C(N)=S)[C@@H](c3ccc(C)cc3)C2)ccc1OCC(=O)O 28713517 ZTSREXLMZKCQGS-MRXNPFEDSA-N 399.472 2.862 0 1 GFAF CC[C@@H]1CN(Cc2ccncc2)CC[C@H]1CC(=O)N1CCC(C(=O)OC)CC1 2356842250 MMESXBZSNJRYEH-QUCCMNQESA-N 387.524 2.731 0 1 GFAF O=c1[nH]c2ccc(N3CCC[C@H]3CO)nc2nc1CSCc1ccccc1 37492554 WYBPCGKJWSVUNQ-HNNXBMFYSA-N 382.489 2.713 0 1 GFAF COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1O 14646750 DZBHCHXEAGTVGF-HUUCEWRRSA-N 386.400 2.713 0 1 GFAF biogenic Cc1cc(C(=O)N2CC(CO)C2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144814562 ICCMSZYYPASJQH-IBGZPJMESA-N 377.362 2.838 0 1 GFAF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OCc3ccccn3)c12 96911659 CRKFOGWCRGRZHY-UHFFFAOYSA-N 381.432 2.533 0 1 GFAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCOc1ccccc1C(F)(F)F 96933062 RBUFLPZYFALJNJ-HNNXBMFYSA-N 399.413 2.881 0 1 GFAF CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@@H]([C@H]6OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 145457520 GNTCPHXEODGRRE-QYKCQISJSA-N 389.492 2.615 0 1 GFAF CC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895257 NIPDWBSESJFELC-FSSWDIPSSA-N 378.472 2.555 0 1 GFAF Cc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587828575 UBKQPNJJGASKOH-BBATYDOGSA-N 380.257 2.985 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(N)c(N)c1 587867422 DMXMVBYVBZASKJ-UHFFFAOYSA-N 377.326 2.825 0 1 GFAF O=C(O)CCc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O 587947251 UVCCTSKDAGZRHZ-UHFFFAOYSA-N 376.428 2.968 0 1 GFAF O=C(NC1CC1)C1CCN(C2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)CC1 12050183 CNZLCRWQHKHGRW-FPYGCLRLSA-N 399.510 2.821 0 3 GFAF CN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682612 LJBCGIRJLVWEEJ-UHFFFAOYSA-N 386.292 2.887 0 1 GFAF COc1ccc(C[C@@]2(CCC(=O)N[C@H]3CCOC3)CCC(=O)N2)c2ccccc12 14886594 IBXSPLXLESKATE-GAJHUEQPSA-N 396.487 2.725 0 1 GFAF C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)C1 15895363 XFGIONNEHGAZPS-LTFXXXRZSA-N 399.601 2.616 0 1 GFAF COc1ccc(-c2nc3cnc(OC)nc3n(Cc3cccs3)c2=O)cc1 4238525 JHDBQQVGAVUIKM-UHFFFAOYSA-N 380.429 2.981 0 1 GFAF Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 7003323 DQSQWFUMOWBTGH-UHFFFAOYSA-N 376.503 2.950 0 3 GFAF C[C@]12[C@H](O)C[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]43C)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 7998080 SHIBSTMRCDJXLN-ZSSHBKQGSA-N 390.520 2.575 0 1 GFAF COc1cc([C@@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)cc2c1OCCO2 103282824 VUDXYLUTAZGKHJ-YLJYHZDGSA-N 383.444 2.939 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C1 101371109 LFLUHUHUEAGKGT-OYZVYVAZSA-N 380.485 2.662 0 1 GFAF CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@H]1c1ccccc1 61958904 TUOFSBKJEGIFLA-SFHVURJKSA-N 390.436 2.664 0 3 GFAF Cc1c(Cc2c(F)cccc2F)nc(N2CCN(c3ccccn3)CC2)[nH]c1=O 28866399 ZSYYYYOMVLMTCF-UHFFFAOYSA-N 397.429 2.669 0 1 GFAF O=C(O)C[C@@H]1c2c(ccc3c2OCO3)C[C@@H]2c3cc4c(cc3CCN21)OCO4 2356497438 NJFMWKYXTHFFBE-HUUCEWRRSA-N 381.384 2.815 0 1 GFAF C[C@@H]1C(=CC(=O)N(C)CCO)CC[C@@H]2[C@@H]1[C@H](O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@@]12C 2356527023 TVMAIDIIHRPKGC-OHUJERJWSA-N 393.568 2.594 0 1 GFAF CC(C)(O)[C@@H]1CC[C@@](C)(C=CC=C(CC(=O)c2cc(O)ccc2O)C(=O)O)O1 2356861346 UHWQEZRJCQBGPF-GHTZIAJQSA-N 390.432 2.946 0 1 GFAF CC(=O)OC[C@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 40786815 MVWNKMDSLAYMKY-MPBLMAKGSA-N 381.856 2.819 0 1 GFAF O=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 40980504 ZZCPRLFJMWBCSV-UHFFFAOYSA-N 378.215 2.682 0 1 GFAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@]23O)ccc1O 257452427 JDOYVXXEQQTICM-PLBGURBNSA-N 388.416 2.608 0 1 GFAF endogenous,in-man COc1cc(C)ccc1S(=O)(=O)N1C[C@@H]2ON=C(c3ccccc3C)[C@H]2C1 263590320 LHLQMESWFCOITP-WMZOPIPTSA-N 386.473 2.736 0 3 GFAF C=CS(=O)(=O)N1C[C@H]2CC[C@@H]1CN2Cc1ccc(OC(F)(F)F)cc1 618020236 OSICCQGGGSMDTG-ZIAGYGMSSA-N 376.400 2.707 0 1 GFAF C[C@@H](O)Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 653725337 CHNXXLJTQBFDJQ-MRXNPFEDSA-N 396.487 2.547 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C(O)O)N1 587730710 KCZBUVADGLAHED-XLFHBGCDSA-N 384.220 2.816 0 1 GFAF CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 587409363 RQSGZGLKKVTZQI-OAQYLSRUSA-N 383.400 2.772 0 1 GFAF CCOC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587582563 PUVNJVUKDCGNAD-WIYYLYMNSA-N 394.383 2.855 0 1 GFAF Cc1c(O)ccc2c1[C@]1(CCC[C@H]1CNC(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963471339 NUPSCCIXOMOUNL-VFCRVFHLSA-N 390.480 2.820 0 1 GFAF CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCCCC2)cc1 12090192 PJWDILJELKDKID-FQEVSTJZSA-N 387.524 2.567 0 3 GFAF CCO[C@@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)cc1)C(=O)O 12358229 TXVFNAWYELDUOB-INIZCTEOSA-N 391.445 2.585 0 1 GFAF CC(=O)Oc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N(C)C 13746097 AVUOVVXVXIQQPB-MHZLTWQESA-N 384.461 2.566 0 1 GFAF Cc1[nH]c2cn(CC(N)=O)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN 169730462 NQFGRZRRWSQIHY-UHFFFAOYSA-N 379.247 2.507 0 1 GFAF CC1=Nc2nc(-c3cccc(C)c3)nn2[C@@H](c2ccc3c(c2)OCO3)[C@H]1C(N)=O 59566101 XPFCXFQBKFREGZ-ROUUACIJSA-N 389.415 2.779 0 1 GFAF CN(C)CCNC(=O)c1ccc(-c2nn(C)/c(=N/C3CCCCC3)s2)cc1 28391739 SZNZUZROGZEZQD-XDOYNYLZSA-N 387.553 2.673 0 1 GFAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(O[C@@H]4CCCNC4)cc3)c3c(N)nccn32)C1 100619175 UJZBMEWPJMRGDE-JLDZCNIISA-N 393.491 2.738 0 1 GFAF CC[C@@H]1[C@@H]2C3=[N+](CCC[C@@H]2O[C@@]12C=C(C)C(=O)O2)C(=C1C[C@@H](C)C(=O)O1)C=C3 2356318489 UDKJIHKZUSEEJY-LMTLLXHESA-N 384.452 2.839 0 1 GFAF CC[C@@H]1CN2C[C@]3(C[C@H]2C[C@H]1C(=COC)C(=O)OC)C(=O)Nc1ccccc13 2356828366 IFWPFGIHYPPJOP-NXLNFEJXSA-N 384.476 2.700 0 1 GFAF c1ccc(CO[C@@H]2CO[C@H]3[C@@H](n4nnnc4SC4CCCC4)CO[C@H]32)cc1 2356871865 YLWFNDANQSNTDP-MHORFTMASA-N 388.493 2.632 0 1 GFAF CCOc1cc2c(cc1O)CCN1C=c3cc(OCC)c(OCC)cc3=C[C]21 2356874014 VKVVXJRUZIAHDQ-UHFFFAOYSA-N 380.464 2.559 0 1 GFAF C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)C[C@H]3O[C@@]312 255258552 PFFUWYWDOKFCQX-BNCGUGECSA-N 388.504 2.736 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1cnn([C@@H]3CCS(=O)(=O)C3)c1)CC2=O 587489497 CQULMIRQTFEXLL-ACJLOTCBSA-N 390.461 2.607 0 1 GFAF O=C1c2ccc(O)cc2O[C@@]2(CCCS(=O)(=O)C2)[C@H]1c1ccc(F)cc1 587374456 KJEJBEXDOJGUOF-PKOBYXMFSA-N 376.405 2.838 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)ncc2[nH]1 587232290 VWEANTVFWBZOCU-QWRGUYRKSA-N 381.274 2.757 0 1 GFAF CC(=O)Nc1ccc(Br)cc1-c1ccc2c(O)nc(O)nc2n1 587365185 BHVCVQIAQIWXDN-UHFFFAOYSA-N 375.182 2.824 0 1 GFAF CCCOc1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2cc1Br 587259318 IYRVIKQKMKEOCR-JTQLQIEISA-N 384.278 2.563 0 1 GFAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587205838 GCVMDSBVIVRIGB-OAHLLOKOSA-N 395.375 2.587 0 1 GFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587193496 BQHDJKAFPKJQFB-ZFWWWQNUSA-N 376.461 2.804 0 1 GFAF COC(=O)C(=O)C[C@@]1(CC(C)C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962634451 UIECVOORJNVXBK-SZNDQCEHSA-N 377.481 2.954 0 1 GFAF CC(C)Cc1sc(-c2nccs2)nc1C(=O)N1CCC(C(=O)NO)CC1 147360419 OMDPLMQUMLQMER-UHFFFAOYSA-N 394.522 2.823 0 1 GFAF O=C(CO)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 168889665 FJTBQZNFUHLCOQ-IZAXUBKRSA-N 386.536 2.858 0 1 GFAF C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nnc(-c3ccnn3C)s2)CC1 1857588739 BUIWQUHFOKEJCN-HIFRSBDPSA-N 388.541 2.850 0 1 GFAF CCOc1cnn(C)c(=O)c1Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 6694826 FUINDSXPUWOZFC-UHFFFAOYSA-N 396.422 2.992 0 1 GFAF O=C(NCCCN=c1nc(-n2ccc3cccnc32)cc[nH]1)C1CCCCC1 1911572065 PVCKJGBXHZWTEI-UHFFFAOYSA-N 378.480 2.736 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)O[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C1 101371112 LFLUHUHUEAGKGT-VDAJZTPPSA-N 380.485 2.662 0 1 GFAF O=C(Nc1cc(Cl)ccc1N1CCC(CO)CC1)c1cnn2cccnc12 113653040 RPHMXRKPVVPTFU-UHFFFAOYSA-N 385.855 2.844 0 1 GFAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccccc2)c1 64746418 RTMROEXMNLIGEG-APWZRJJASA-N 390.478 2.501 0 1 GFAF in-vitro Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCCC3)c2)cc1 28263384 WDFMDNUTOSLOPW-UHFFFAOYSA-N 382.283 2.859 0 1 GFAF COc1cccc(CC(=O)N[C@@H](C)c2onc(-c3cccnc3)c2C(=O)O)c1 2356491574 LQCOOBPZXUYWEM-LBPRGKRZSA-N 381.388 2.863 0 1 GFAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2c(c1)NC(=O)C2 117586043 NUYZRFWPAOBZLJ-UHFFFAOYSA-N 380.448 2.692 0 1 GFAF CC(C)NC(=O)N1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]2C1 4236067 SYPRRHGLTPLKNZ-LJQANCHMSA-N 392.459 2.550 0 1 GFAF biogenic Cn1nccc1-c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2 49014140 GPVVRPMOSQNFDF-UHFFFAOYSA-N 382.225 2.656 0 1 GFAF CNC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40973901 RTRXGUQHWGSXHR-UHFFFAOYSA-N 376.416 2.589 0 1 GFAF CC[C@@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccccc2)n1 82133455 JEENYEVTQOJDHE-OAHLLOKOSA-N 381.480 2.658 0 1 GFAF COc1ccc2nc(Cl)c([C@H]3SC(NC(C)=O)=NN3C(C)=O)cc2c1 98083282 PGDLNNVODNXAPL-OAHLLOKOSA-N 378.841 2.898 0 1 GFAF CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2[C@H](C)CCC[C@H]2C)C1=O 251625434 LUAXMFDQDVMEOQ-LMMKCTJWSA-N 387.524 2.878 0 3 GFAF C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)CC1(C)C 618017476 LFDQCTNYDXQSLR-UHFFFAOYSA-N 381.498 2.732 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(=O)N(C)C)cc1)[C@@H](C2)C3=O 587426582 AAWOXILSPKJWNQ-HTAPYJJXSA-N 381.428 2.825 0 1 GFAF O=C(CCN1CCOCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655908 DIHHYZQWQXOYPN-UHFFFAOYSA-N 399.397 2.704 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(Cl)cc1Cl 13482711 WGFHSIVDHDSQFC-FVQLFGEKSA-N 377.227 2.691 0 1 GFAF Cc1ccc(-c2noc(C3(O)CC3)n2)cc1NC(=O)c1cnc2ccccn12 206118222 URUHFYRBCQRUIC-UHFFFAOYSA-N 375.388 2.926 0 1 GFAF COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(C)=O)cc1Cl 166597509 ZKVBUXINNNFHDQ-AWEZNQCLSA-N 390.871 2.914 0 1 GFAF Cc1cccc(OCC2(CNCc3cn(C)c4ccccc34)C[C@@H](O)[C@H](O)C2)n1 2356298516 IRCSPLGDPURNIO-NHCUHLMSSA-N 395.503 2.552 0 1 GFAF CCN(CC)C(=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2)CN(C)C(=O)C1 2356456841 SGCGNFSILXEPMX-AEFFLSMTSA-N 388.512 2.694 0 1 GFAF C[C@H](S[C@@H](CCc1ccccc1)C(=O)O)C(=O)NC1(C(=O)O)CCCC1 28755668 IRFLEJXVMMQAGR-ZFWWWQNUSA-N 379.478 2.708 0 1 GFAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)[C@@H]1C(C)(C)CC[C@H]2O 2356517953 ZPZIYHULOGDSFI-JJGKHWLDSA-N 394.508 2.756 0 1 GFAF O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1cc(-c2ccccc2)nn1 2356816229 CZHVUCNNXCMODU-YSTOQKLRSA-N 398.463 2.711 0 1 GFAF CC(=O)OC[C@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 2356822457 FVTCMCBEUUCUNA-LJQANCHMSA-N 383.400 2.884 0 1 GFAF O=C(NC1CCC(O)CC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO 72176497 MXHMKKKHCBXXQX-UHFFFAOYSA-N 384.354 2.886 0 1 GFAF Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CNCC(=O)N3)oc2ccccc12 45260287 PMPHCPMHLIKMJW-BQYQJAHWSA-N 390.443 2.850 0 1 GFAF O=C(CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)NCCC1=CCCCC1 82084759 QUWXBPHKQFSPDV-UHFFFAOYSA-N 397.431 2.807 0 1 GFAF O=C(NCC1(O)CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 142695527 XOKZLFDJOBRPQW-UHFFFAOYSA-N 383.379 2.709 0 1 GFAF CC(=O)NCCCOc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1 142897095 BRUUAJGHQSWVLY-UHFFFAOYSA-N 393.399 2.811 0 1 GFAF N[C@@H]1N=CNc2c(CN3C[C@H](CSc4ccc(Cl)cc4)[C@@H](O)C3)c[nH]c21 140939883 XOHKNCJZSMLXPF-HNJNHCNJSA-N 391.928 2.664 0 1 GFAF CN1c2cc(C(=O)c3ccccc3)cc(C(N)=O)c2Nc2cccc(C(N)=O)c21 140205230 HZSBBPQASUMVEX-UHFFFAOYSA-N 386.411 2.940 0 1 GFAF COc1ccc(/C=C2\C(=O)Nc3cc(NC(C)=O)c(N4CCOCC4)cc32)cc1 473102959 MGTQOHTZDRLULT-WQRHYEAKSA-N 393.443 2.983 0 1 GFAF CC(C)NC(=O)[C@H]1CCc2nnc(CNC(=O)c3ccc(Cl)cc3Cl)n21 299852938 ZQGVGRXIXGRURB-CYBMUJFWSA-N 396.278 2.527 0 1 GFAF O=S(=O)(NCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(F)c(F)c1F 587134886 WFCDVYOMOSWHDN-UHFFFAOYSA-N 395.284 2.876 0 1 GFAF CCOC(=O)[C@H]1CN(C(C)C)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517275 KEEHPHFDMMTJSI-VGSWGCGISA-N 385.460 2.699 0 1 GFAF CC(C)(C)OC(=O)N1[C@@H](c2occc2C(=O)O)c2scnc2C[C@@H]1C(=O)O 963132766 CHMDHVHKICCCSN-MNOVXSKESA-N 394.405 2.770 0 1 GFAF Cc1c2c(nn1C)[C@@](c1ccncc1)(c1cccc(Cl)c1)N[C@H](C(=O)O)C2 962704916 DTFVARTUTFABKA-FXAWDEMLSA-N 382.851 2.668 0 1 GFAF NC(=O)N1CCCc2c1ncc(-c1cncc(C3(O)CCOCC3)c1)c2Cl 1772571437 HJIUYYNSSUBXQG-UHFFFAOYSA-N 388.855 2.626 0 1 GFAF COc1cc2c(cc1OC)[C@H](C(=O)c1cccc(OC)c1OC)C(=O)N(C)CC2 5808494 IQEXAOHIJTWUEL-LJQANCHMSA-N 399.443 2.702 0 1 GFAF Cc1c(C(=O)N2CC[C@H]3OCCC[C@H]3C2)cnn1-c1nc(O)c2sccc2n1 1857586120 GTKGNRUSIPYYQV-SWLSCSKDSA-N 399.476 2.532 0 1 GFAF Cc1ccccc1N[C@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@H]1c1ccccc1 1857636273 DITQXHOILRJOOM-ICSRJNTNSA-N 396.516 2.997 0 1 GFAF O=S(=O)(NC[C@@H](O)/C=C/c1ccccc1)c1ccc(Br)cc1 1857752069 JSASDWUPIDPVPE-PPYMECGQSA-N 382.279 2.802 0 1 GFAF O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCc2ccccc2C1 2460782 FVUXNBXEILSHCN-UHFFFAOYSA-N 397.500 2.897 0 1 GFAF CC(C)(C)NC(=O)CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 4910178 IGEPPDIZCCMSSQ-UHFFFAOYSA-N 375.557 2.698 0 3 GFAF CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3F)ccc21 4971614 JWFGZIVDSBVQLX-UHFFFAOYSA-N 390.436 2.537 0 3 GFAF CCn1cc(C(=O)N[C@H](C(=O)O)C(C)C)c(=O)c2ccc(C(F)(F)F)cc21 103185628 UDYPFVVDGBSJJC-AWEZNQCLSA-N 384.354 2.879 0 1 GFAF COc1ccc([C@H]2Sc3c(F)cccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1 27744016 MDGHORXBYLKKAZ-QZTJIDSGSA-N 390.480 2.937 0 1 GFAF CNS(=O)(=O)c1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)n2)c1 118703212 KHLURIFJRGMVBJ-UHFFFAOYSA-N 390.856 2.920 0 1 GFAF COC(=O)c1ccc(OCCCN2CCN(c3ccc(Cl)nn3)CC2)cc1 66102971 CAGVLFCNZYAIMM-UHFFFAOYSA-N 390.871 2.508 0 1 GFAF CN1C[C@H](c2cnc[nH]2)[C@H]([C@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 2356583868 KRIWASATEVGMCG-MISYRCLQSA-N 375.428 2.971 0 1 GFAF CC(=CCCC(C)C)c1ccc(CO[C@@H]2C[C@H](O)[C@H](O)[C@@H](CO)O2)cc1O 2356807572 XWHFMJTZPNHZQL-WOZUAGRISA-N 380.481 2.577 0 1 GFAF C[C@H](CC(=O)O)N1Cc2ccc(NC(=O)CCCC3CCNCC3)cc2C1=O 72105033 JXCMMMJBHLWVLH-CQSZACIVSA-N 387.480 2.614 0 1 GFAF Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(Cl)nc4)ccc23)cn1 221624013 GBHIELIRPCTCBL-UHFFFAOYSA-N 378.823 2.768 0 1 GFAF C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn([C@@H]3CC[C@@H]4C[C@H]3OC4=O)c2n1 84653770 VYWUQIUBWASNCG-YAYDYNKSSA-N 398.463 2.598 0 1 GFAF CCCC[C@@H](NC(=O)[C@@H](CCCC)NC(=O)OCc1ccccc1)C(=O)CO 82061041 CVXFMJDCNAWQSG-QZTJIDSGSA-N 392.496 2.708 0 1 GFAF O=C(NCc1ccccc1)[C@@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 199207179 JQTWJSHQIOAROT-KRWDZBQOSA-N 378.350 2.827 0 3 GFAF Cc1nc(-c2ccc3c(c2)c(C#N)cn3CCS(C)(=O)=O)sc1C(=O)O 145191672 MMPQDPJFQZAOOW-UHFFFAOYSA-N 389.458 2.688 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(C(O)O)O2 587370109 BTLLYUKTEUSHJY-QGZVFWFLSA-N 378.222 2.511 0 1 GFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H]([C@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 962916284 CRCGUNQMYNXFFV-JQHSSLGASA-N 379.391 2.856 0 1 GFAF COc1ccc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1CN(C)C 962921738 DLNDETNXQJJNER-HSZRJFAPSA-N 381.520 2.868 0 1 GFAF O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(Cc3cccs3)CC2)CC1 12474976 FAGAIURTUMXFGC-LJQANCHMSA-N 391.581 2.720 0 3 GFAF OCCOCCN1CCN(C2=Nc3cc(Cl)ccc3Cc3ccccc32)CC1 13861669 QWBMUFMLNOULHK-UHFFFAOYSA-N 399.922 2.949 0 1 GFAF COc1cccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)c1 169312507 XCZGGMCDIPJRJY-UHFFFAOYSA-N 394.483 2.756 0 1 GFAF Cn1nc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cc1F 169708463 YSSIVDQDOKWLPW-YCELRVBUSA-N 382.411 2.872 0 1 GFAF Cc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OC[C@H]3CCCO3)n2)no1 206693611 FKUNMUZRADHSGL-CQSZACIVSA-N 386.452 2.873 0 1 GFAF CCc1ccccc1NC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O 4563770 ORGXOYKNEGYMQN-UHFFFAOYSA-N 377.444 2.709 0 3 GFAF CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(Cl)cc1 27310332 MGSQIJKBYOYTMF-KBPBESRZSA-N 383.853 2.637 0 1 GFAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1 61903928 RNHARTPBQDHXTI-QGZVFWFLSA-N 388.386 2.590 0 3 GFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 2356694777 HMFMZNOIEXKYSR-MHTWAQMVSA-N 399.535 2.592 0 1 GFAF Cc1ccc(N/N=C2\C(O)=NN=C2c2c(O)n(C)c3ccccc3c2=O)cc1 4293187 BQBCRORRPQGGKF-UHFFFAOYSA-N 375.388 2.695 0 1 GFAF biogenic CC(=O)O[C@@H]1C=C[C@H](O)[C@@H]2[C@@H]1C(=O)C=CC21Oc2cccc3cccc(c23)O1 13433743 VCGPNYQDRSFKQN-OBNJBMLMSA-N 378.380 2.541 0 1 GFAF biogenic CCOC(=O)C1=C(C)NC(=O)N([P@]2(=O)NCCCO2)[C@H]1c1ccccc1 84724152 UUNDPPLPIIFODK-HAWMADMCSA-N 379.353 2.708 0 1 GFAF CC(C)[C@]1(O)CC[C@]2(C)C[C@H](O)[C@@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 238755936 QCLJCHLNAUUSNX-DJNRTHQISA-N 392.492 2.627 0 1 GFAF CC(=O)N1[C@H](CNC(=O)C2CC2)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CO 95895141 DZMKJVSMHVDZJH-BHIFYINESA-N 396.462 2.694 0 1 GFAF CC(C)[C@]1(O)CC[C@]2(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@@](C)(O)C[C@H](O)[C@H]21 238773800 PZBYTOJJGAKJAK-DJNRTHQISA-N 392.492 2.627 0 1 GFAF COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@H]3C[C@@H]21 238757771 NXFSMEXZBFREEO-NXILAULNSA-N 384.476 2.656 0 1 GFAF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(F)cc3)n2)n[nH]1 261146814 OBVJFUCJPICORB-UHFFFAOYSA-N 383.431 2.935 0 1 GFAF COc1c([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2O)ccc2c1C=CC(C)(C)O2 32251930 IAJCTOOANYGADU-UYAOXDASSA-N 384.384 2.968 0 1 GFAF biogenic CCOC(=O)/C(=C/N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571825 MNNGLVUXYTYMST-ISEOZWQLSA-N 383.400 2.731 0 1 GFAF O=C(c1ccc(O)nn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656814 QAIFZKRMABIRJV-UHFFFAOYSA-N 380.310 2.526 0 1 GFAF Cc1cc(=NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]o1 587580992 UOETYKQBRMUREV-NQIIRXRSSA-N 394.383 2.860 0 1 GFAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587120879 IROJHXQWHBIQNK-UHFFFAOYSA-N 388.235 2.966 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 587228036 FEQSUMBEZNFABD-UHFFFAOYSA-N 378.392 2.938 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CC2OCCO2)(c2cccc(F)c2)N1 962897393 CRQJDQJXGBREOW-PXNSSMCTSA-N 375.371 2.570 0 1 GFAF CCCNC(=O)C1CCN(C(=O)c2cccn2Cc2ccc(OC)cc2)CC1 1772602720 VYTJVZWFBNFSRG-UHFFFAOYSA-N 383.492 2.923 0 1 GFAF CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N2CCC(C)CC2)cc1 15952234 INBYLVDUVQKDIJ-UHFFFAOYSA-N 384.436 2.711 0 3 GFAF COc1cc([C@@H]2Oc3c(OC)cc(/C=C\CO)cc3[C@H]2CO)cc(OC)c1O 209123961 SGRRPSBKBJVKJE-KAKONUFLSA-N 388.416 2.633 0 1 GFAF O=C(O)c1c2c(nc3ccccc13)CCN(C[C@@H](O)COc1ccccc1)C2 1502971 MLVOOMRDOXFWGB-OAHLLOKOSA-N 378.428 2.731 0 1 GFAF CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O 58575317 VMTWXOTZXVFSPH-UHFFFAOYSA-N 384.455 2.610 0 1 GFAF CCCCN(C=O)c1c(CC)nc2ccc(C(=O)N(CC)CCN(C)C)cn12 61906179 VPRUBTIXCDOMSI-UHFFFAOYSA-N 387.528 2.683 0 3 GFAF CC[C@@H](C)[C@H](CO)NCCCn1cnc2c(OCc3ccccc3)ncnc21 61922695 XZUNGFMLGIECCM-AEFFLSMTSA-N 383.496 2.792 0 3 GFAF NC1=N[C@](c2cccc(NC(=O)c3ccc(Cl)cn3)c2)(C(F)F)COC1 113659023 HCATWODWZYGFTA-QGZVFWFLSA-N 380.782 2.835 0 1 GFAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@H](CNC(=O)c2ccncc2)C=C1C 2356766608 QYJWSOTZMYGFBI-SLFFLAALSA-N 387.524 2.819 0 1 GFAF COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)c(O)c1OC 33833444 RYFBIULDSMCKSI-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic,in-vitro COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@H]2C(C=O)=C(C)OC[C@@H]2[C@@H](C3=O)N1C 14417416 AFHGOQPKVXJDHG-LLYILUEJSA-N 380.444 2.864 0 1 GFAF biogenic COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1O 14646748 DZBHCHXEAGTVGF-GJZGRUSLSA-N 386.400 2.713 0 1 GFAF biogenic N[C@H]1C[C@@H](N2Cc3cnc(C4CC4)nc3C2)CO[C@@H]1c1cc(F)c(F)cc1F 43172354 SFQZPUQRACGEEI-JLBUNGTFSA-N 390.409 2.944 0 1 GFAF COc1cc2ncnc(NNC(=S)NC(=O)c3ccccc3C)c2cc1OC 84709889 IMAFYKXYUAZVOW-UHFFFAOYSA-N 397.460 2.587 0 1 GFAF COC(=O)[C@@]1(C)CCC[C@@H]2[C@H]1C[C@@H]1OC(=O)[C@]23C[C@@H](c2ccoc2)OC(=O)[C@@H]13 84154675 ZGRXZVQQLDOVAT-OQEDXQOPSA-N 388.416 2.795 0 1 GFAF biogenic,in-vitro CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(CC)C(=O)c1ccccc1 95895341 XOJCLLCNPDDULP-TUNNFDKTSA-N 380.488 2.914 0 1 GFAF CCOCOC[C@H]1CS[C@H](c2cc(Br)c(O)c(OC)c2)N1 95535216 KZYARPHOOFOWST-IINYFYTJSA-N 378.288 2.878 0 1 GFAF O=C(NC1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95797647 YIOYHPJYDXIXAV-NHCUHLMSSA-N 383.536 2.953 0 1 GFAF O=C(NC1CCCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 95601006 SOUPNWPTISJPBV-NRFANRHFSA-N 379.460 2.993 0 3 GFAF COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]21 238752862 DBCVUIBEXPYXAJ-ABXAIBCLSA-N 384.476 2.656 0 1 GFAF Cc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c(C)c1 299833004 HCOFONHIFZXLES-UHFFFAOYSA-N 388.427 2.981 0 1 GFAF COC(=O)C(=O)C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597320 YHQQSTRWLCMRMI-UWJYYQICSA-N 384.384 2.881 0 1 GFAF COC(=O)c1ccnc2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc12 587093519 FTEPOAOXRPLVBA-CQSZACIVSA-N 386.355 2.502 0 1 GFAF N=c1[nH]cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc-2[nH]1 587024837 BSTOTNFUKSWBGZ-YUELXQCFSA-N 382.493 2.853 0 1 GFAF C[C@]1(CC(=O)Nc2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962898889 MTHMQFKXVDOMTC-HNAYVOBHSA-N 378.350 2.947 0 1 GFAF COC(=O)c1cccc2c1NC(=O)[C@]21c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962616719 AMIDHEHEAVJART-VERVWZFWSA-N 396.443 2.563 0 1 GFAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)NC2CCOCC2)c1O 1772606383 AQZCCPGMSZKZGD-UHFFFAOYSA-N 376.862 2.528 0 1 GFAF CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1 13444588 PPWTZQUEISGLGF-UHFFFAOYSA-N 396.553 2.796 0 1 GFAF O[C@]1(c2ccccc2)CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1 205124396 NUEJFZBLJKXJOQ-HSZRJFAPSA-N 390.487 2.954 0 1 GFAF COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccccc4Cl)C[C@H]32)cc1 1203381664 AUTNEDLCPQCJMC-WOJBJXKFSA-N 386.879 2.960 0 1 GFAF biogenic COC(=O)CCCOc1ccc[n+]2c1[C-](CC(N)=O)[C@@H](C)[C@@H]2Cc1ccccc1 53650924 KZDWTURLQLVJQI-APWZRJJASA-N 396.487 2.538 0 1 GFAF CC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1 20098305 YRLNURRTUBIYLQ-SFHVURJKSA-N 386.500 2.926 0 3 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCCC1(C)OCCO1 29340773 TUTPPMHJBJNTKW-UHFFFAOYSA-N 399.919 2.526 0 1 GFAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5cnccn5)C[C@@H]3N4)cc2)c1 100105888 VCNATCUZQSBSEQ-KOUNCHBCSA-N 386.455 2.732 0 1 GFAF O=c1nc(N2CCOCC2)cc2n(Cc3cccc(Cl)c3Cl)ccn12 73298056 KPEHNRYQSSGARF-UHFFFAOYSA-N 379.247 2.688 0 1 GFAF CC(C)(C)N1C[C@@H](COc2ccc3cc(S(N)(=O)=O)sc3c2)OC1=O 26573274 HEHIPOFBOLMAIM-LBPRGKRZSA-N 384.479 2.547 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3[C@](C)(O)[C@H]12 2356468215 UQVRSNOOFJMHDB-IDTLVHSDSA-N 382.460 2.540 0 1 GFAF CN1CCN(c2cc3c(c(Cl)c2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 26946649 FTWQUUSTDCEDCA-UHFFFAOYSA-N 379.819 2.579 0 1 GFAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccn2)CC1 2356642646 PCDQJADLNDBWOR-OAHLLOKOSA-N 378.432 2.752 0 1 GFAF Cn1cc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1 211085745 KUZRTSMZHWGUIV-UHFFFAOYSA-N 396.882 2.909 0 1 GFAF CCc1nc(C(=O)NCC(=O)NCc2cccc(OC(F)(F)F)c2)cs1 82071991 JTCAMAXIZAYUHR-UHFFFAOYSA-N 387.383 2.650 0 1 GFAF CN(C)C(=O)[C@@H](Cc1ccccn1)CN1CCC2(CC1)OCCc1ccsc12 84672551 FCFFIEPLNCDDSF-SFHVURJKSA-N 399.560 2.954 0 1 GFAF NC(=O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O 40408504 AQGCORFHRDPTIS-UHFFFAOYSA-N 399.406 2.926 0 1 GFAF CC(=O)NCCn1c(CC(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82185818 PFDJVWOUFOTEFA-UHFFFAOYSA-N 384.459 2.912 0 1 GFAF COCc1cn(C2=NCC(=O)N3CCc4c(cc(F)cc4C4CC4)C3=C2)cn1 149114068 CQQUHBDYEUOOMX-UHFFFAOYSA-N 380.423 2.732 0 1 GFAF CC(=O)S[C@H](C(=O)c1ccc(Cl)cc1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 143742108 DOZOYSPQHWWQPB-OOVXXXAESA-N 397.880 2.883 0 1 GFAF CC(C)(C)c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1 653760083 JZRAXDWKSDFHOC-RYUDHWBXSA-N 391.422 2.997 0 1 GFAF COc1cc(/C=C/C(=O)OCc2cc(OC)c(O)c(OC)c2)cc(OC)c1O 653857485 DSMBHMMXNCPAFN-AATRIKPKSA-N 390.388 2.889 0 1 GFAF N=C(N)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586953738 QZWDSDLZHPPOFM-UHFFFAOYSA-N 398.473 2.771 0 1 GFAF N[C@@H](CP(=O)(O)O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586921389 DUWXJEHUWVHBAH-YFKPBYRVSA-N 388.080 2.522 0 1 GFAF CN(C)S(=O)(=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587070613 SWJDTOSJJFHWCA-UHFFFAOYSA-N 377.853 2.892 0 1 GFAF CO[C@H]1CN(Cc2ccccc2)CC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962927438 RBLZWGCOAWFGBV-LADGPHEKSA-N 393.531 2.650 0 1 GFAF CN1CCc2cnn(C)c2[C@@]1(c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 963954885 MTZRIFGGFSHUGV-OAQYLSRUSA-N 399.491 2.743 0 1 GFAF COc1cc([C@@H]2C3=C(COC3=O)Cc3cc4c(cc32)OCO4)cc(OC)c1OC 13371283 OPGVEBTYBAOEHZ-IBGZPJMESA-N 396.395 2.983 0 1 GFAF biogenic,in-vitro C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 19861728 FLMSQRUGSHIKCT-LAFFOWEISA-N 390.520 2.575 0 1 GFAF C/C1=C/[C@@H](O)C(C)(C)CCC[C@](C)(O)[C@@H](O)C[C@H]1OC(=O)c1ccc(O)cc1 169692877 PTXVSFQAEBBMCK-RKGXSFSASA-N 392.492 2.937 0 1 GFAF O=C1CC[C@H](N2Cc3c(SCc4ccc(F)cc4)cccc3C2=O)C(=O)N1 1857602459 RMMTYLMFBUCYHO-INIZCTEOSA-N 384.432 2.879 0 1 GFAF CC(C)(C)S(=O)(=O)c1cn2c(-c3cc(N)nc(Cl)c3)cnc2cc1O 1857630780 ULRAKLHDPWJRCX-UHFFFAOYSA-N 380.857 2.910 0 1 GFAF C[C@@H]1CN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S(=O)(=O)C1 223993419 MHPZNUCALZUBKC-DOMZBBRYSA-N 394.443 2.715 0 1 GFAF COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(OC)ccc2OC)c1 1016450 OPOFJAKSNUAVNE-LJQANCHMSA-N 397.431 2.979 0 1 GFAF CCSc1nnc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)s1 2461664 CJCRGPAKHLSINW-UHFFFAOYSA-N 382.492 2.544 0 1 GFAF O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 2480292 YYVJRWCSEPJGKM-UHFFFAOYSA-N 376.409 2.948 0 1 GFAF C[C@@H]1CCCCN1CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 4709561 UWVPSCIDWFULFI-OAHLLOKOSA-N 388.899 2.554 0 1 GFAF O=c1c2ccccc2nc2n1-c1ccccc1[C@@]2(O)OCCOc1ccccc1 26393320 YYINXSVUYCXIPZ-HSZRJFAPSA-N 386.407 2.988 0 1 GFAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccc(Cl)c1)C2 101505628 MHPSIUBJBHDLOA-OSYLJGHBSA-N 379.888 2.811 0 1 GFAF COc1ccccc1C(=O)N1C[C@@H](F)[C@H](OCc2nc3ccccc3n2C)C1 2356299093 WMMQFKDYNVRYCH-DNVCBOLYSA-N 383.423 2.961 0 1 GFAF CN1c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)nc2C(N)=NS1(=O)=O 26973817 RFXVJBBHDKYSQM-UHFFFAOYSA-N 399.863 2.864 0 1 GFAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cc3ccccc3s2)C1 61902500 IJIJNRKUNXOLOH-GOSISDBHSA-N 394.518 2.610 0 3 GFAF O=C(c1cn(CSc2ccccc2)nn1)N1CCN(Cc2ccccc2)CC1 73224071 PNFTZKOOKMDHII-UHFFFAOYSA-N 393.516 2.986 0 1 GFAF COc1cc2nc(NC[C@H]3CCCO3)nc(NC[C@@H]3CCCO3)c2cc1OC 82125484 LTLARNQSDLKOKN-UONOGXRCSA-N 388.468 2.829 0 1 GFAF O=C(NCc1ccc(F)cc1Cl)[C@@H]1COCC(=O)N1Cc1ccccc1 95565833 ZLWAZSDGSOEPRW-KRWDZBQOSA-N 376.815 2.523 0 1 GFAF COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428462 NDESJICETVDTTM-HNAYVOBHSA-N 376.405 2.522 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccccn1)CC2=O 587482727 DNJKEFHZAHANGF-IBGZPJMESA-N 375.446 2.645 0 1 GFAF CN(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169632 FKNVNWDUDCLYPL-UHFFFAOYSA-N 388.346 2.937 0 1 GFAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587925477 BFJQSIQFELOSBK-CYBMUJFWSA-N 375.450 2.769 0 1 GFAF CC(=O)OCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587758751 JJMSVNCHRXUKGT-QGHHPUGFSA-N 396.260 2.971 0 1 GFAF CCNC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581340 HBPFUBYQQKMNCA-QGZVFWFLSA-N 382.416 2.918 0 1 GFAF COc1ccccc1[C@@]1(CCCC(=O)O)N[C@H](C(=O)O)Cc2cccc(F)c21 962920957 NFQYWOSNWXCULX-HRAATJIYSA-N 387.407 2.932 0 1 GFAF CC(=O)Nc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3ccccc32)cc1 13553359 DRUUKEYPRCPVJA-UHFFFAOYSA-N 385.489 2.941 0 1 GFAF CCC(=O)Nc1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C 14974251 XLLGZVLHAHEKRN-UHFFFAOYSA-N 382.424 2.729 0 1 GFAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@@H]3C)C2)cc1 169301298 DHUOTSJELWOUBC-ZLGUVYLKSA-N 384.524 2.699 0 1 GFAF COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)cc1F 169697330 XVWWTLLXNITSOK-UHFFFAOYSA-N 393.426 2.858 0 1 GFAF COc1ccc(CCN[C@](C)(COC(C)=O)P(=O)(OC)OC)cc1OC 1857547198 JJTCQNKYXGGRHD-KRWDZBQOSA-N 389.385 2.601 0 1 GFAF Cc1ccc2c(c1)CCN2C(=O)c1ccc2c(n1)N(C1CC1)[C@H](C)C(=O)N2C 1857754094 OJAOOSVJXFSXRL-CQSZACIVSA-N 376.460 2.927 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccc(F)cc2)n1 2356310688 CQQTWSBENNWYNN-NMLBUPMWSA-N 387.499 2.603 0 1 GFAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356315467 BBSJMECOWBMUCF-PWZAEIDSSA-N 380.525 2.669 0 1 GFAF COc1cc(N)c(Cl)cc1C(=O)OC[C@H]1CN(Cc2ccccc2)CCO1 29209611 XPCCTIBOUGXBRG-OAHLLOKOSA-N 390.867 2.989 0 1 GFAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCN(c2ccccn2)CC1 20465350 FUEMTNRFDCVACH-UHFFFAOYSA-N 382.489 2.685 0 1 GFAF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)OCc1ccccc1 28878976 HTCQLWGVGIYFSU-UHFFFAOYSA-N 394.475 2.893 0 1 GFAF O=C(C=CCCCC[C@H](O)[C@@H](O)c1ccc2c(c1)OCO2)N1CCCCC1 2356756340 UEJKTNXAIXCFSD-UWJYYQICSA-N 375.465 2.939 0 1 GFAF CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccccc1Cl 49035267 QSEDIKCIVLJHCK-PBHICJAKSA-N 393.871 2.700 0 1 GFAF COc1cc(C(=O)n2nc(Nc3cccc(C)c3)nc2N)cc(OC)c1OC 299826670 HMGJQUKXGPEUPT-UHFFFAOYSA-N 383.408 2.627 0 1 GFAF O=S(=O)(c1ccccc1)N1CCN(c2noc3cc(Cl)ccc23)CC1 299819771 BQSPTRIYJRZIOR-UHFFFAOYSA-N 377.853 2.992 0 1 GFAF CNS(=O)(=O)c1cc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)n(C)c1 586947510 PYXNWVXWFANHHG-UHFFFAOYSA-N 376.335 2.634 0 1 GFAF CN1C(=O)C[C@H]2CN[C@]3(C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)c3cccc1c32 963033785 UPYQONKAPFPWRR-TVYYEHBDSA-N 383.492 2.965 0 1 GFAF C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC(C)(C)O2 5070111 JFZUFAXWLMYIJR-VDZJLULYSA-N 389.540 2.737 0 1 GFAF CC[C@@]1(O)C(=O)OCc2c1c(Cl)c1n(c2=O)Cc2cc3ccccc3nc2-1 5499978 YSECKCJSQWAIGC-FQEVSTJZSA-N 382.803 2.733 0 1 GFAF COc1cc(COc2ccc(Cc3cnc(N)nc3N)cc2)cc(OC)c1OC 13472739 SRRHFFKTDUUDHJ-UHFFFAOYSA-N 396.447 2.837 0 1 GFAF N[C@@H](CC(=O)N1CCc2noc(C(F)(F)F)c2C1)Cc1cc(F)ccc1F 14948968 BNDMRIWJLYREJU-LLVKDONJSA-N 389.324 2.816 0 1 GFAF COc1ccc(C(F)(F)F)cc1Nc1nc(NCCO)nc(N2CCCC2)n1 14968087 QMCHISMLXLNWOA-UHFFFAOYSA-N 398.389 2.647 0 1 GFAF COc1ccc2nc(CO[C@@H]3CN(Cc4cccc(OC)n4)C[C@H]3F)[nH]c2c1 2356299200 BLGIZKMIYNUWFO-CRAIPNDOSA-N 386.427 2.714 0 1 GFAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNC(=O)c2ccc(Cl)cc2)COC1 2356300400 VRGZLLDOASHMEV-OAHLLOKOSA-N 399.834 2.978 0 1 GFAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4049328 ZBHYHCBADIFJEA-DLVCFXQMSA-N 381.476 2.853 0 1 GFAF OCC1=C(Br)C2=N[C@H](c3ccccc3)C[C@@H](C(F)(F)F)N2N1 100517278 QFWFZPOUUJVCIG-ONGXEEELSA-N 376.176 2.880 0 3 GFAF COCC(=O)N(c1cc(Cl)ncn1)C1CCN(CCc2ccccc2)CC1 27744924 OLCVRGUCCPWLCO-UHFFFAOYSA-N 388.899 2.817 0 1 GFAF Cn1c(N2CCN[C@@H](c3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O 116770369 NBJNGXLGSCSWMZ-GOSISDBHSA-N 381.867 2.647 0 1 GFAF O=C(OC[C@@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 29127529 FBVWKTUJMLHDDG-AWEZNQCLSA-N 395.242 2.901 0 1 GFAF C[C@@H]1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 26977020 YQRUTUAWBZXTFD-SECBINFHSA-N 390.241 2.959 0 1 GFAF C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(Cl)c(N4CCN(C)CC4)cc3n21 27524331 FPEYRRHTPROXFV-SECBINFHSA-N 379.869 2.729 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NC2CCC(F)(F)CC2)n1 2356770933 LTOLZXYYIHXIBS-MLHJIOFPSA-N 397.510 2.842 0 1 GFAF COCCNC(=O)[C@@H](C)[C@@H]1CCc2c(C)cc(OCCN(C)C)c(C)c2C1 4222637 IJNPDCMEQGWZHS-FUHWJXTLSA-N 376.541 2.747 0 1 GFAF biogenic COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2cc(OC)c3c(c2)OCO3)ccc1O 14646788 FZFUSCRYZHVQNP-GJZGRUSLSA-N 386.400 2.713 0 1 GFAF biogenic C/C(=C\[C@@H](O)C/C(C)=C/CCCC(=O)CO)CC[C@@H](O)[C@]1(C)CCC(=O)O1 72179304 YKUZFPGHZVFVLY-DZMSUEBXSA-N 382.497 2.599 0 1 GFAF Cc1cc(=O)oc2ccc(OC[C@@H](O)CN3CCN(c4ccccc4)CC3)cc12 40915864 PRAZRRNYXLNYFD-IBGZPJMESA-N 394.471 2.663 0 1 GFAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)C[C@H]1c1ccccc1 40936448 RHQQBOMMVMDSSA-DOTOQJQBSA-N 386.839 2.804 0 1 GFAF C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 45189484 ZYNKPRJYGBZGAV-GUTXKFCHSA-N 394.459 2.608 0 1 GFAF CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95894855 PEQCJJQCTRUYBM-TUNNFDKTSA-N 382.504 2.845 0 1 GFAF C[C@H](Oc1nccc2c1C(c1ccnc(N3CCOCC3)c1)=NC2)C(F)(F)F 96176058 QAKZPPHVBYVPBA-LBPRGKRZSA-N 392.381 2.994 0 1 GFAF CCCC(=O)N1CC2(C1)CN(CC1CC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 95796508 WEHHXPNDTZVABV-IBGZPJMESA-N 397.519 2.816 0 1 GFAF N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(CO)cc2[nH]1 587183925 LMNJUPQXSNQGJT-ZDUSSCGKSA-N 393.228 2.902 0 1 GFAF COc1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586920110 FAWOMFZCPLGUEN-UHFFFAOYSA-N 382.344 2.867 0 1 GFAF COC(=O)c1ccnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 587161261 LSGOUMUVSWCDDN-UHFFFAOYSA-N 386.774 2.844 0 1 GFAF COC(=O)C(=O)C[C@]1(CC(C)C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962634449 UIECVOORJNVXBK-SPLOXXLWSA-N 377.481 2.954 0 1 GFAF CC[C@H](C(=O)NCc1ccccc1OC)n1nc(C)n2c(cc3occc32)c1=O 5149786 YAQDGEZQJKFUGT-OAHLLOKOSA-N 394.431 2.827 0 3 GFAF N=C(N)c1ccc2oc([C@H](Cc3ccc(O[C@H]4CCNC4)cc3)C(=O)O)cc2c1 13735954 MPFABBYVBCPCKC-ROUUACIJSA-N 393.443 2.868 0 1 GFAF Cc1cc(C(=O)N2CC[C@@]3(CCCN(CCCc4ccccc4)C3=O)C2)nn1C 14949161 NWKPXHSQHJLOCS-QHCPKHFHSA-N 394.519 2.816 0 1 GFAF COc1c([C@@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)ccc2c1OCCO2 103295605 RERRMLWHLKBPME-IEBWSBKVSA-N 383.444 2.939 0 1 GFAF O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1cc(O)cc(O)c1)c1ccccc1 101644949 NVMXPYIQUOIQFV-HRQSHJORSA-N 383.444 2.984 0 1 GFAF Cc1ccc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)cc1 115730998 WMSYGBWEHXTJLR-UHFFFAOYSA-N 379.420 2.813 0 1 GFAF CC(C)(C)C(=O)C(=O)N1[C@H](C(=O)OCCCc2cccnc2)CSC1(C)C 35967922 AHBQQKZFKFIJEF-HNNXBMFYSA-N 392.521 2.853 0 1 GFAF CCc1c(-c2ccc(N3CC[C@H](C(C)(C)N)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 142961170 FBDWNUNVZPDZHC-ZDUSSCGKSA-N 385.464 2.572 0 1 GFAF C[C@@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1 95580716 RCUDMUZVZCVJCO-CYBMUJFWSA-N 398.898 2.786 0 1 GFAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CSc1nncn1C 587562458 BAVKMQPECJVLBA-UHFFFAOYSA-N 396.432 2.532 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@]1(CS(=O)(=O)O)C3(C)C)O2 587410616 TYPPJFXTOXLUAP-DPMMWBKBSA-N 379.478 2.995 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 587127142 SKGYENOEZCLHRR-UHFFFAOYSA-N 391.415 2.753 0 1 GFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(F)c(Br)c2[nH]1 587202657 FILSLBBSQKYFFC-SNVBAGLBSA-N 385.237 2.543 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnc(O)c3C(N)=O)CC2=O 587467745 CDDYNENOELBEFK-OAQYLSRUSA-N 382.416 2.741 0 1 GFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(N)cnn1C 587865915 OYMIAQLWHKRKEZ-UHFFFAOYSA-N 379.342 2.972 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC3 586989927 STDMIVYNMQQZHX-QUSSIACISA-N 386.407 2.854 0 1 GFAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(S)nc(S)nc4[nH]3)no2)n1 587120067 PQCOVLGNOPOLGN-UHFFFAOYSA-N 399.383 2.849 0 1 GFAF CCC[C@]1(CC2OCCO2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641754 YKOWCUOKCVYENF-YVEFUNNKSA-N 389.370 2.943 0 1 GFAF Cc1sc2c(c1C)CCN[C@@]21CC(=O)Oc2c1c(=O)n(C)c1ccccc21 963029238 RGIXPXRNUZWLPX-OAQYLSRUSA-N 380.469 2.915 0 1 GFAF O=S(=O)(C[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)C(F)(F)F 1772626690 TVPUJUWGZFIFDI-MGCOHNPYSA-N 387.387 2.814 0 1 GFAF COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(C4CC4)cc32)c1C 169351319 ISXLOBGXBNYFOQ-UHFFFAOYSA-N 383.427 2.768 0 1 GFAF CN1O[C@@](C)(CC(=O)N2CCOCC2)N=C1c1cccc(-c2ccccc2)c1 205222494 QLWSDEWOYCIWLG-QFIPXVFZSA-N 379.460 2.942 0 3 GFAF COc1ccc(-n2nc(C(=O)Nc3cc(C)on3)c3ccccc3c2=O)cc1 2943168 CHUHFMORCHCLMG-UHFFFAOYSA-N 376.372 2.943 0 1 GFAF O=C1CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@@H]2N1Cc1ccc(F)cc1 2356286029 JWPHLGPHPITXMG-SFTDATJTSA-N 379.435 2.919 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2cccc(F)c2)n1 2356288420 DCRZKRQXMFESSO-NMLBUPMWSA-N 387.499 2.603 0 1 GFAF c1cnc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)cn1 28903481 QZAZDEDVSZZTPR-FYYLOGMGSA-N 394.519 2.860 0 1 GFAF CC[C@]1(N2C(=O)c3ccccc3C2=O)C(=O)N(c2ccccc2)C(=O)N=C1O 21986446 MLZNVUPGZYJLKW-HXUWFJFHSA-N 377.356 2.555 0 1 GFAF O=C(CCN1C(=O)N[C@@H]2CCCC[C@H]2C1=O)NCCSCc1ccccc1 212536945 QNEGWKJMPNINBU-IAGOWNOFSA-N 389.521 2.537 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2 40919293 DGYVIVHGBHLFLV-KRWDZBQOSA-N 390.443 2.968 0 1 GFAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCCCCC2)C1 139366852 NRSVJYXEFGVYHD-UHFFFAOYSA-N 376.464 2.973 0 1 GFAF CC(C)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196164 ISIXLEXOAVFARV-UHFFFAOYSA-N 384.505 2.845 0 1 GFAF CN(CCc1ccccc1)Cc1cn(C[C@@H](O)COCc2ccccc2)nn1 82153735 IHILLVCPJGLYCS-JOCHJYFZSA-N 380.492 2.530 0 1 GFAF O=C(O)CCNC(=O)c1ncc2cc(NC(=O)Nc3ccccc3)ccc2c1O 146682638 VNDPTXLBKNLABX-UHFFFAOYSA-N 394.387 2.789 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@H]1CNC(=O)CC1CC1 95668037 MCHWHEDXBMJDHJ-MQSCRBSSSA-N 382.504 2.845 0 1 GFAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2ccc(F)cc2)C1 95796509 MFCRMRKWXJKHGD-IBGZPJMESA-N 395.478 2.716 0 1 GFAF O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2o1 96282799 DECKULRTSATQFL-UHFFFAOYSA-N 399.472 2.932 0 1 GFAF CCCCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O 299848106 DPCYMSIIVSZILS-FUHWJXTLSA-N 398.891 2.842 0 1 GFAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCC(=O)O 587401942 TYCPDNJGQGHLHX-OAHLLOKOSA-N 387.388 2.764 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 587228870 SLTKJFSZEFTWLW-KRWDZBQOSA-N 396.407 2.785 0 1 GFAF N=c1[nH]c2nc(-c3cccc(OCn4cc(Cl)cn4)c3)nc-2c(Cl)[nH]1 587081911 IUQMFURPLUEDJF-UHFFFAOYSA-N 376.207 2.924 0 1 GFAF CN(Cc1nc2ccc(F)c(Br)c2[nH]1)S(=O)(=O)c1cccnc1 586928641 GROVQRWIYCIHAR-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1[C@H]2O)OCO4 13219189 RKJDHQCMJGIWCL-LBPRGKRZSA-N 380.838 2.934 0 1 GFAF O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccc[nH]1 13589863 CSHQPNGWOLZNDR-SFHVURJKSA-N 377.400 2.693 0 1 GFAF COCCNC(=O)[C@]1(C)CCN(C(=O)c2cc(-c3cccs3)oc2C)C1 206049060 PZZCBHGRIQSKOU-LJQANCHMSA-N 376.478 2.931 0 3 GFAF Cn1c(C(=O)NCCc2ccccc2)nc2cccc(OC3CCNCC3)c21 1857537651 LBRYONDMBPJZIM-UHFFFAOYSA-N 378.476 2.677 0 1 GFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCC(C)(C)CO 771412 UOBMMUOQEFNPBT-HKUYNNGSSA-N 386.448 2.905 0 1 GFAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC=CC(=O)OC)[C@H](C)[C@@H](O)[C@H]2C 2356327990 MSFATTXTDHLTMG-GHBUUDFFSA-N 396.524 2.832 0 1 GFAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1ccno1 3960061 FQEPAMCYCMOVQJ-HNNXBMFYSA-N 381.473 2.826 0 1 GFAF O=C(Nc1ccccn1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 6899844 OFXJPNXUBAZXQG-UHFFFAOYSA-N 391.479 2.803 0 3 GFAF CCOC(=O)N1[C@@H]2CC[C@@H]1CC(N1CC[C@H](NC(=O)c3ccccc3C)C1)C2 101505690 PAINGJCKTPURNG-RCCFBDPRSA-N 385.508 2.951 0 1 GFAF COc1cc2c(cc1OC)[C@@H]1O[C@H](O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 100771616 XYWRZQQANNOTTD-ZJOUEHCJSA-N 385.416 2.724 0 1 GFAF endogenous,in-man COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(C)nc2sc(C)cn12 29132256 BYKMWOXWDOCRMP-UHFFFAOYSA-N 375.450 2.593 0 1 GFAF COc1ccc(NS(=O)(=O)c2c(O)c(C(=O)O)c(OC)c3ccoc23)cc1 64553336 BDMIXBFMKRRUFU-UHFFFAOYSA-N 393.373 2.655 0 1 GFAF O=C(O)COCCC1=C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C3Cc4ccccc4C3)[C@@H]2C1 26148082 YTHJREJUHFWUFT-PZMKPWPBSA-N 398.499 2.753 0 1 GFAF COc1cc(/C=C(/C(=O)O)c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)=O 66077189 IIYQZBDGYQCBTR-MHWRWJLKSA-N 390.413 2.649 0 1 GFAF CS(=O)(=O)NC1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72184308 LXLNSQPCJSVDOK-GOSISDBHSA-N 397.903 2.977 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)NC(C)C 95872000 PPJMPPKACZISSS-BHDDXSALSA-N 395.503 2.736 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCN3CCOCC3)c1)O2 587402159 ZCCXAZOHZIUMTN-NRFANRHFSA-N 382.460 2.995 0 1 GFAF CC1=C([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CN2NC=NC2=N1 587793830 LMFXPNLUTCJPJO-XYZCENFISA-N 392.276 2.830 0 1 GFAF CCOC(=O)Cn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1Cl 587423541 VHWJNKQFIJEGFC-XIKOKIGWSA-N 390.823 2.905 0 1 GFAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@]1(C2)N[C@H](C(=O)O)Cc2cccc(F)c21 962916471 FGCLPKNKWJQWTF-MRQYSOIQSA-N 376.428 2.649 0 1 GFAF CCOC(=O)[C@]1([C@@H]2CCC(C)(C)CC2=O)NCCc2c1c(C(C)C)nn2C 962916959 XZBJAGLZZUWLAP-SPLOXXLWSA-N 375.513 2.843 0 1 GFAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2OCCO)c1 1772601107 HSCQYWDDHGGJSS-CQSZACIVSA-N 381.432 2.947 0 1 GFAF O=C(CCNC(=O)[C@H](Cc1ccccc1)Cn1ccnc1)OCc1ccccc1 1772598643 RNQBFDJDOFFQJU-OAQYLSRUSA-N 391.471 2.992 0 1 GFAF Cc1nc(O)nc(S)c1C(=O)NC1[C@H]2CCCC[C@H]2N[C@H]2CCCC[C@@H]12 17256208 ABTZKNNKLUKWHH-HZWJRBNISA-N 376.526 2.599 0 1 GFAF COCCN=c1cc(-c2csc(=NCC3CCOCC3)[nH]2)c(Cl)c[nH]1 1857764996 NUCTYNOPAVZQQW-UHFFFAOYSA-N 382.917 2.599 0 1 GFAF CCNC[C@@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 29417316 CXNAKWIKEHZMNI-INIZCTEOSA-N 393.491 2.776 0 1 GFAF COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCc1c(C)noc1C 2356762837 WZWNTSUHHBJKEQ-UYAOXDASSA-N 377.529 2.964 0 1 GFAF CCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 73221698 KBKSVRDSTJRCDJ-LSVYRBPNSA-N 397.515 2.510 0 1 GFAF in-man O=C(NN1C(=O)[C@H]2[C@H]3CC[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(C(F)(F)F)cc1 138817976 XOHZZDFJOIMTMY-WCBJTDJXSA-N 378.350 2.627 0 1 GFAF CN1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1 45385475 CBTWKVIWLYXVTA-GOSISDBHSA-N 377.448 2.547 0 1 GFAF CC/C(C)=C/C(=O)O[C@H]1[C@@H](O)C[C@@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238738430 XTIZBLMVEVBXHN-KKHFRVAASA-N 378.465 2.633 0 1 GFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCc5[nH]ncc5C4)ncc23)ccn1 261166218 RYEHQXVMGDUWSW-AWEZNQCLSA-N 388.435 2.730 0 1 GFAF CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 261166247 RYISNCRYUSURKV-NNUKFRKNSA-N 382.461 2.786 0 1 GFAF CC(=O)OC[C@]1(C)[C@@H]2CC(=O)[C@@H](C)[C@]3(CC[C@@](C)(CCO)O3)[C@@]2(C)CC[C@H]1O 473128524 CBDKPIJNECSIQI-DBPZYVDISA-N 396.524 2.632 0 1 GFAF O=C(c1nc2sc3c(n2c1Cl)CCC3)N1CCN(C2CCCC2)C(=O)C1 299852210 OUYDGRDAGQTBDG-UHFFFAOYSA-N 392.912 2.765 0 1 GFAF COc1ccc(CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)NC2=S)cc1 474606181 HPLMYNZDEHAZPW-MHWRWJLKSA-N 384.457 2.970 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587616615 LBFCSLOKQDJEHG-AVBTWRTFSA-N 384.384 2.692 0 1 GFAF COC(=O)C[C@@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775303 QOIFBTKVIAYHQY-DYZYQPBXSA-N 394.244 2.719 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNC(=O)c1ccco1 587867278 AUDZAFVRZGSPBF-UHFFFAOYSA-N 394.309 2.636 0 1 GFAF C[C@H]1C[C@@H](C)C(=O)[C@@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963150757 SGBHZNZERNIJLA-KEXIXCRFSA-N 380.466 2.830 0 1 GFAF COc1cc2c(cc1OC)[C@]1(CCCC3(C1)OCCO3)NCC21CCOCC1 963189601 LMUFVYZGDXZCSG-OAQYLSRUSA-N 389.492 2.868 0 1 GFAF CC1(C)c2cc(Cl)ccc2C(=O)N1c1cncc(CNS(C)(=O)=O)c1 223958658 DHFYDXZDHREPQP-UHFFFAOYSA-N 379.869 2.680 0 1 GFAF O=S(=O)(NCCCCc1ccccc1)c1ccc2c(c1)CN[C@H](CF)C2 13581913 BGCXWRFWRIGEBU-IBGZPJMESA-N 376.497 2.972 0 1 GFAF O=S(=O)(c1cccc(F)c1)N1CCC(CO)(Cc2cccc(F)c2)CC1 13659330 HODUMTHYISIETB-UHFFFAOYSA-N 381.444 2.971 0 3 GFAF O=C(NCC1CC1)c1onc(CSc2ccncc2)c1C(=O)NCC1CC1 13660864 HKQBWRASIYOACO-UHFFFAOYSA-N 386.477 2.642 0 3 GFAF CN1CCN(CCCN2C(=O)[C@H](Cc3ccccc3)Oc3ccccc32)CC1 169324426 QHSJDHSSQHQEGN-QFIPXVFZSA-N 379.504 2.661 0 1 GFAF COc1cc(/C=C2\C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC 14647032 GAPBUDODJXGASP-WACFDSSMSA-N 384.384 2.937 0 1 GFAF Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(Cc5cccs5)C(=O)[C@H]24)O3)cc1 100290459 HSUDKTFLDVWKLH-LMVRJCEZSA-N 394.496 2.655 0 1 GFAF C/C=C/Cn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 101035737 XKRZKSKEEPLGHX-NSCUHMNNSA-N 395.440 2.844 0 1 GFAF CC(C)(C(=O)O)N1CCC(Nc2nc(-c3ccc(C(=N)N)cc3)cs2)CC1 27089863 PSJWFSXKMKEWDM-UHFFFAOYSA-N 387.509 2.834 0 1 GFAF C[C@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)CC1CCCC1 61927104 MZKPKANGJAEPNS-GOSISDBHSA-N 398.912 2.716 0 3 GFAF COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC(=O)NC1CCCCC1 49053789 KLGFSXPPBWUBTE-MHWRWJLKSA-N 390.461 2.847 0 1 GFAF C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1CCOc1ccccc1 199232124 KYLRBOVAXUIJSP-OAQYLSRUSA-N 384.501 2.716 0 3 GFAF O=C(NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1)c1ccncc1 199720061 WMKZGPSRYUVHLR-UHFFFAOYSA-N 391.427 2.679 0 3 GFAF CCc1c(-c2ccc(N3CC[C@@H](C(C)(C)N)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 142961379 FBDWNUNVZPDZHC-CYBMUJFWSA-N 385.464 2.572 0 1 GFAF COCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@H]2CO 95878764 OWZWTDQWRCAHMI-PIPMEXSNSA-N 384.451 2.839 0 1 GFAF CCOC(=O)[C@]1(c2cnc3ccccn23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435298 DDGGSVGXGYTLEN-SZNDQCEHSA-N 378.384 2.549 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(N)(=O)=O)c2)N1 587840141 JSNIHEFUGMYVNL-FVMDXXJSSA-N 399.285 2.859 0 1 GFAF CN1CCN(c2ccc3[nH]c(-c4cccnc4SCC(=O)O)nc3c2)CC1 586968227 LVDUQULQZZZISR-UHFFFAOYSA-N 383.477 2.553 0 1 GFAF Oc1nc(O)c2ccc(-c3cc4c(cc3Br)OCCO4)nc2n1 587366481 OAVHJKKRYVNZDQ-UHFFFAOYSA-N 376.166 2.637 0 1 GFAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)nn1-c1ccccc1F 587155078 AFSORWCPIKDNQM-UHFFFAOYSA-N 379.351 2.894 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(N)(=O)=O)cc1)CC2=O 587481324 BGNQAWGSPLVLPD-IBGZPJMESA-N 375.446 2.873 0 1 GFAF Cc1c(Br)cnc2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c12 586931577 GBIHJEQQVXGFAT-UHFFFAOYSA-N 385.243 2.539 0 1 GFAF NC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)nn2c3c([nH]c12)CCNC3 1772613785 URBYVJPKORUZFP-UHFFFAOYSA-N 387.443 2.653 0 1 GFAF COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](O)[C@H]3COC(=O)N23)cc(OC)c1O 13652051 XMMZBNADACAVRS-ZNOIYHFQSA-N 396.399 2.848 0 1 GFAF FC(F)(F)c1cccc(N2CCN(CCCN3C[C@@H]4CCCN4C3)CC2)c1 19332275 ULXMKKGPHSIOGI-IBGZPJMESA-N 382.474 2.955 0 1 GFAF CCC(=O)NCc1ccc(OC[C@H](O)CNC(C)(C)C)c(Br)c1 169335420 OUZHFGSWRSCFTQ-CYBMUJFWSA-N 387.318 2.603 0 1 GFAF CN(C)CCOc1cccc(CN2CCN(C(=O)Nc3ccccc3)CC2)c1 200259875 PUMJDEPPQNYBPK-UHFFFAOYSA-N 382.508 2.977 0 1 GFAF C[C@@H]([C@H](C)c1ccc(-c2cc(N3CCOCC3)nc(=N)[nH]2)cc1)N1CCCC1 1857593212 IYSMLXVQJXZLPA-IRXDYDNUSA-N 381.524 2.981 0 1 GFAF COc1ccc(S(=O)(=O)N2CCc3nc4ccccc4c(C(=O)O)c3C2)cc1 1502965 BIEYAMNEYMVMFY-UHFFFAOYSA-N 398.440 2.689 0 1 GFAF Cc1ccc2nc(NC(=O)CCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)sc2c1 4564627 UUQVNFOOLZYPIP-OGRXGRENSA-N 381.457 2.740 0 1 GFAF CCOc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1 4934750 CUOQDQZXYZXURY-UHFFFAOYSA-N 397.435 2.577 0 3 GFAF COc1ccccc1[C@@H](OCCN1CCN(CCC(=O)O)CC1)c1ccccc1 29326460 RFBAKEBPKRUCSW-QHCPKHFHSA-N 398.503 2.894 0 1 GFAF Cc1cc(OS(=O)(=O)O)c2c(c1)N1CCCCN1[C@H]2c1ccc(O)cc1 2356843910 NQRVCPIABXSZEN-SFHVURJKSA-N 376.434 2.802 0 1 GFAF NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc2sccc2c1 223195353 HRKFAAQEOBKZNP-QWHCGFSZSA-N 383.481 2.611 0 1 GFAF Cc1nc(N(C)C)ncc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587195601 XVKKHWOIKNVNDT-UHFFFAOYSA-N 385.371 2.688 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)Nc1ccccn1 587868335 ZRNGODVBFVAOQR-UHFFFAOYSA-N 391.309 2.646 0 1 GFAF CCOc1ccc(Cc2cc([C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)ccc2Cl)cc1 1772645634 YCEUTZKYUQXUCF-ALXICPEDSA-N 392.879 2.872 0 1 GFAF N=C(N)c1ccc(CNC(=O)[C@H]2CCC=C2C(=O)N2CCc3ccccc32)cc1 13493902 HVBXHMNOIAHTEY-SFHVURJKSA-N 388.471 2.513 0 1 GFAF C[C@H](c1nc(-c2ccc(OC(F)(F)F)cc2)no1)[C@H](N)C(=O)N1CCCC1 14948422 DAWNZHPPZUPTMH-GWCFXTLKSA-N 384.358 2.688 0 1 GFAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cn(C)cn3)c2)c2cncnc21 169707985 NWNZZTSJJFZTEG-UHFFFAOYSA-N 389.419 2.624 0 1 GFAF CC(C)c1cn2cccc(C(=O)NCC3[C@H]4CN(C5CCOCC5)C[C@H]34)c2n1 1857644097 MFSOMEXJBQJRFZ-RTBURBONSA-N 382.508 2.544 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(F)cc2)n1 2356310687 CQQTWSBENNWYNN-MTQWCTHYSA-N 387.499 2.603 0 1 GFAF O=C1NC[C@H](Cc2ccccc2)N(CC2CCN(CCC3CCCC3)CC2)C1=O 61936181 XKJRECSSFARKFZ-QFIPXVFZSA-N 397.563 2.848 0 3 GFAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC=C[C@]([C@@H](C)OC(C)=O)(C1)[C@@H]23 2356753450 YBXUUELSZBVEKX-KBIFEVAGSA-N 394.471 2.763 0 1 GFAF O=C1[C@@H]2CCCN2C(=O)N1CCCCCCNC[C@@H]1CCc2ccccc2O1 73275715 YPHKZFULFHHSKA-OALUTQOASA-N 385.508 2.957 0 1 GFAF CC[C@]12C=CCN3CCc4c(n(c5c(OC)cccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 5955154 HXLJZBYCWRILKD-HJNYFJLDSA-N 382.460 2.737 0 1 GFAF biogenic CC(C)N(CC[C@@](CCN1CCOCC1)(C(N)=O)c1ccccc1)C(C)C 39254136 TZUSJEAELHDFDF-JOCHJYFZSA-N 375.557 2.641 0 1 GFAF CO[C@@H](CN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O)c1ccccc1 72126106 BNKYRLATACYXMN-VQTJNVASSA-N 394.427 2.821 0 1 GFAF COc1ccccc1OCCNC[C@@H](O)COc1ccc(OC)c2[nH]ccc12 45286804 LFDKEGHUMFONNH-OAHLLOKOSA-N 386.448 2.593 0 1 GFAF CC(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(Br)cc2)C(=O)O1 40380733 CJYZNEIGDXRQIW-KYTCBBFDSA-N 383.238 2.710 0 1 GFAF COc1ccncc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225037025 JEINUPIXTAFFFD-UHFFFAOYSA-N 393.428 2.896 0 1 GFAF NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCCC4)cc3)nc12 45340161 HCIQCRXWDRPCSE-UHFFFAOYSA-N 377.448 2.549 0 1 GFAF OC[C@@H]1C[C@H](F)CN1c1nccnc1C1CN(c2ccc3ccccc3n2)C1 145845449 VJTQJWQSWZZQKB-IRXDYDNUSA-N 379.439 2.538 0 1 GFAF CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCCC1 95871896 ZSECDKJMHWJAGK-PMACEKPBSA-N 399.535 2.726 0 1 GFAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 95794114 UVQGOMIEIBUXJK-CTNGQTDRSA-N 382.504 2.545 0 1 GFAF COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@H](CC(C)C)NC2=O)cc1 95898385 XBRFMSFVCPUMGC-MSOLQXFVSA-N 386.496 2.597 0 1 GFAF COCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3cccc(OC)c3)ccc1N(C)[C@H]2CO 95877840 RASARJJJQQOVAW-RZFNWQHOSA-N 396.487 2.709 0 3 GFAF C[C@]12C[C@H]3c4c(nc5cc(Cl)ccc5c4N)C[C@@H](C1)[C@@H]3N2S(C)(=O)=O 261101106 GIBJSDQKBFLJLP-MLSKFCDMSA-N 377.897 2.923 0 1 GFAF CN(C)[C@H](Cn1c(O)cc(CC(=O)O)c1O)c1cccc(Br)c1 587941896 XWQROMGTVQWIBE-CYBMUJFWSA-N 383.242 2.592 0 1 GFAF O=C(O)CCC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351488 KARMBSWNOVHXLS-PXNSSMCTSA-N 388.347 2.969 0 1 GFAF O=C(O)[C@H]1C(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H]1C(=O)O 587971271 XVNWJPZRACJYNG-BQBZGAKWSA-N 393.115 2.843 0 1 GFAF COC(=O)C(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803670 BFJLJYOSOXGWOM-HUTHGQBESA-N 384.245 2.860 0 1 GFAF CCN1C=C(C(=O)O)[C@]2(NCCc3c(C(=O)O)cccc32)c2cccc(OC)c21 963131680 NMSQCFYDDRFRTA-JOCHJYFZSA-N 394.427 2.591 0 1 GFAF COC(=O)[C@@H]1CC[C@H](C)[C@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962661908 IJZTVCMCZUVBRA-IGPXYBRXSA-N 382.460 2.748 0 1 GFAF OC/C=C1\CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(O)nc2ccc(OC3CCC3)cc12 1857553121 APYZKBQNKFNCEZ-JSSUXEBZSA-N 396.487 2.918 0 1 GFAF CNC[C@@H]1C=CN(C(=N)NC)C[C@]12[C@H]1CC[C@@H]3CCC[C@@H]4CC(C(=O)O)=C(C1)[C@@]342 2356391640 WNZYQAQATAVYPE-GSDVBJRWSA-N 398.551 2.793 0 1 GFAF CCC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCCC[C@H]3CC)ccc21 4078631 ZGBWLJGGLGXMIQ-QGZVFWFLSA-N 393.553 2.529 0 3 GFAF C[C@H](NS(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1)c1ccccc1 6733200 FHMGPCUNAOPUDZ-LBPRGKRZSA-N 383.429 2.719 0 1 GFAF Cc1cc(O)nc2c1c(-c1ccccc1)nn2-c1ccc(S(N)(=O)=O)cc1 103215087 NBTPLHFANOAOLB-UHFFFAOYSA-N 380.429 2.749 0 1 GFAF COC[C@@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 101912998 NYCAJGBSVDYKKD-CJBNDPTMSA-N 381.885 2.776 0 1 GFAF COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@H]12 137432714 NXFSMEXZBFREEO-FGGCEEDFSA-N 384.476 2.656 0 1 GFAF CCO[C@@H]1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CC 84740046 OLLRCHZNBHQROV-YADHBBJMSA-N 378.428 2.916 0 1 GFAF CC(C)C[C@](C)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O 146393137 RVBXBHMQWZQHMG-KRWDZBQOSA-N 387.402 2.920 0 1 GFAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F 95894499 CNWBELVFJUWSNA-GGPKGHCWSA-N 383.423 2.943 0 1 GFAF COC(=O)C(=O)C[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587803436 APAXRHSOSBCLDG-VVVCHXIZSA-N 384.245 2.860 0 1 GFAF COC(=O)c1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2n1 587094161 LHKSWDHQHVXSKM-CQSZACIVSA-N 386.355 2.502 0 1 GFAF Cc1sc2c(c1C)C(=O)[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N2C 18130595 FYOQAAJQDCKZMJ-AWEZNQCLSA-N 398.893 2.988 0 1 GFAF O=C(O)CCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1/C=C/c1ccccc1 169687640 ZLEIAKOIGUCLNH-KGVOXUGRSA-N 391.423 2.844 0 1 GFAF COc1ccc(C)c(Nc2ncc3c(n2)n([C@H]2CC[C@H](O)CC2)c(=O)n3C)c1 1857573060 ILNPRPDZPMMPGU-HDJSIYSDSA-N 383.452 2.667 0 1 GFAF CCNCc1cc2c3c(ccc2n1C)-c1[nH]c(=O)c(C(=O)O)c(O)c1CCC3 142973212 AKDFTNUZEWSGCN-UHFFFAOYSA-N 381.432 2.536 0 1 GFAF COc1cccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 106551963 BQNMLUSOHBPLEA-OALUTQOASA-N 390.395 2.835 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2cccc(n2)NCCCCOc2ccc(Cl)c1c2 103260913 AUHZUFIZSJRDEH-INIZCTEOSA-N 389.839 2.745 0 1 GFAF CC(=O)[C@H](C)N(CC(F)(F)F)C1=C[C@H]2C(C(F)(F)F)=CC(=O)N[C@@H]2C=C1 53188600 FZELBRBDZPJUMZ-LJUAHTATSA-N 382.304 2.885 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C(=O)[C@H](O)[C@H](C)[C@@]23CC[C@]2(C=COC2)O3)C1(C)C 2356590236 HOIUWXWVVKJHSD-FBQXHFQMSA-N 392.492 2.772 0 1 GFAF CN(C)CCOc1ncc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)cn1 72185043 VSAUSIYKZXYZHX-HXUWFJFHSA-N 384.867 2.750 0 1 GFAF CC(C)(C)c1ccc([S@]2=NS(=O)(=O)c3cc(S(N)(=O)=O)ccc32)cc1 73164195 CZRINGAGTKOOGM-QHCPKHFHSA-N 398.531 2.554 0 1 GFAF NCCCNCCCCNCCCCN1C(=O)c2cccc3cccc(c23)C1=O 40900242 JKIRNPPDEQPHQE-UHFFFAOYSA-N 396.535 2.524 0 1 GFAF CN(C)S(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224751498 LUYIGDVGHYCXJH-UHFFFAOYSA-N 387.440 2.750 0 1 GFAF CC(C)Cn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O 45353661 MFXNNSFOSKVFFH-UHFFFAOYSA-N 384.461 2.836 0 1 GFAF COC(=O)CCCCCC/C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O 45364943 GHZBPZPKBOOXNX-XMUSRXTASA-N 384.469 2.694 0 1 GFAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1 224749641 IRUCQZBBQVYUEZ-UHFFFAOYSA-N 383.477 2.865 0 1 GFAF O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1Cc1cccc(F)c1F 49036981 QXLJDDRYEUTLQD-UHFFFAOYSA-N 396.332 2.924 0 1 GFAF COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)C2=NCC(C)(C)CN23)c1 45348468 ILSAZNWGTJLATO-UHFFFAOYSA-N 399.472 2.937 0 1 GFAF CCCCNC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(CC)n1 82074488 KFWRLNKIBJZRPP-INIZCTEOSA-N 389.521 2.937 0 1 GFAF C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(=O)n(C[C@H]4CCCO4)c(O)nc3c2)[C@@H]1C 253619808 JGUMGGFTYRSCNL-SZXPJGKVSA-N 399.491 2.836 0 3 GFAF NS(=O)(=O)c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587028875 AQTVUVXMVGJPQD-UHFFFAOYSA-N 386.458 2.913 0 1 GFAF Cn1cc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587339924 GXTJFQHZGIPARG-XLIONFOSSA-N 382.347 2.604 0 1 GFAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Cl)cc(F)c2[nH]1 587227271 KFORJBMXXVSYLT-UHFFFAOYSA-N 390.802 2.898 0 1 GFAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(Br)c[nH]c-2n1 587039178 QULLWETZXUREGJ-UHFFFAOYSA-N 398.246 2.933 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)O)O2 587396670 VOSWFNJVLYWCTL-RNODOKPDSA-N 390.436 2.623 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3[C@@H](C(=O)O)NC[C@H]32)N1 587791067 FDVMAJMBLZMWCT-NNGRDCLSSA-N 397.288 2.790 0 1 GFAF CSc1ccc2c(c1)NC(=O)[C@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963226352 LPVTYDBXXCIGKX-RXVVDRJESA-N 391.452 2.751 0 1 GFAF Cc1c(F)ccc2c1[C@](CN1C(=O)[C@@H]3C[C@H]3C1=O)(c1ccc(F)cc1)NCC2 962380618 XDKPHIZUHKKZKY-YVHKJVDXSA-N 382.410 2.667 0 1 GFAF CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)C2=CCCC2)C3)no1 12080297 FZRJRTXJYQGCKK-UHFFFAOYSA-N 394.475 2.865 0 1 GFAF O=C(NCC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 169704202 YIKVOJGIIXEFHZ-QGZVFWFLSA-N 380.427 2.745 0 1 GFAF COc1cc2c(cc1OC)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 169711645 RTEWOCSPWMDMSY-OAHLLOKOSA-N 395.463 2.517 0 1 GFAF Cc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(N)=S)c3nnnn3c2c1 1857595812 YULONRSGDQDNFE-SFHVURJKSA-N 387.472 2.981 0 1 GFAF COc1ccc(-c2nc(N3CCOCC3)nc3nn4c(C)cc(C)nc4c23)cc1 4873584 QSMNZUBDLYMMFW-UHFFFAOYSA-N 390.447 2.802 0 1 GFAF c1cncc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)c1 25337050 LJNAHUUBOZMLHO-UHFFFAOYSA-N 376.464 2.735 0 1 GFAF CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 20355057 BYXBLUXTCZCXHL-ZBFHGGJFSA-N 375.494 2.550 0 1 GFAF O=C(N[C@@H]1Cc2ccccc2N(CCO)C1=O)c1cc2cc(Cl)ccc2[nH]1 28818305 KCMCGGMTGBVPCQ-QGZVFWFLSA-N 383.835 2.501 0 1 GFAF O=C(Nc1nccs1)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 2356750865 JOZZIFDQLUCCGP-GVDBMIGSSA-N 394.504 2.751 0 1 GFAF CC(C)(O)[C@@H]1CC[C@@](C)([C@@H](O)COc2c3ccoc3cc3oc(=O)ccc23)O1 15215409 URTUKYUOMNRDDS-FIKGOQFSSA-N 388.416 2.988 0 1 GFAF biogenic O=C1O[C@@H](O)C(c2ccc(C(=O)NCc3ccccc3)cc2)=C1Br 84687784 MHLSEOBJRKVUBP-QGZVFWFLSA-N 388.217 2.598 0 1 GFAF CNS(=O)(=O)c1ccc(N2CCCCC2)c(Nc2ncnc3[nH]ccc23)c1 199024239 ASWIEHIDCAGCQR-UHFFFAOYSA-N 386.481 2.600 0 1 GFAF CC(=O)NCCn1c(C(C)C)nc2c(NCCc3ccccc3F)ncnc21 82180958 LMXUVOBZTDPUMX-UHFFFAOYSA-N 384.459 2.880 0 1 GFAF CCCCOCCCNC(=O)CNC(=O)c1csc(-c2ccccc2)n1 82071886 MAYMLNLFUFPPNB-UHFFFAOYSA-N 375.494 2.863 0 1 GFAF C[C@]12CC[C@@H](O)C[C@H]1C[C@H](O)[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255220837 JDQWKADNJIUBND-HLXVLTFVSA-N 390.520 2.575 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c1 587022795 YRAOBCCCNNFSOR-SNVBAGLBSA-N 380.495 2.770 0 1 GFAF CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434913 BVCGLYGFOLLGJU-IVZQSRNASA-N 392.411 2.857 0 1 GFAF CCOC(=O)c1cnc2n(c1=O)C=CC[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963105177 PJKDOYJTNMUTEV-OYHNWAKOSA-N 395.434 2.698 0 1 GFAF CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C 14974221 KQWDBCYASNDFNQ-UHFFFAOYSA-N 396.451 2.521 0 1 GFAF CCOC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169299108 UREIKWXMKSDHRU-NLDJYOPPSA-N 384.457 2.520 0 1 GFAF Cc1onc([C@@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NCC2CC2)cn1 169685439 JNPJLUSXOXTGGB-RDJZCZTQSA-N 388.443 2.859 0 1 GFAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4546446 AWTIKGXAYFOOSE-PTRRKNIJSA-N 388.508 2.589 0 1 GFAF O=C(N[C@H]1CCOC1=O)c1ccc(-n2cc(CSc3ccccc3)nn2)cc1 205224409 HPHORILQWKDZGJ-SFHVURJKSA-N 394.456 2.605 0 1 GFAF C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2ccccc2n1 13974890 KJOPIOBFTIRSBW-INIZCTEOSA-N 387.439 2.791 0 1 GFAF Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCC[C@H]3C)n2)cc1 2965216 WCQNIJQJOYJBTO-GOSISDBHSA-N 382.508 2.599 0 3 GFAF O=C(CNC(=O)c1ccccc1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 3638782 HKFVSJDAOZKFSC-LJQANCHMSA-N 385.895 2.851 0 1 GFAF CCOC(=O)[C@@H](CC)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 104103515 DBZCILJJLVAIIZ-CYBMUJFWSA-N 376.413 2.633 0 3 GFAF CC(C)S(=O)(=O)n1c(N)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 28963467 FPNHVTJTCPLXNY-UHFFFAOYSA-N 376.413 2.596 0 1 GFAF Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)s1 110652187 FEIJSKWHWDSAHF-ZIAGYGMSSA-N 385.376 2.735 0 1 GFAF CCC(C)=CC(=O)O[C@H]1[C@@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@H]2C[C@H]1O 2356650959 XTIZBLMVEVBXHN-KEGKJOPBSA-N 378.465 2.633 0 1 GFAF O=C(C[C@@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc(F)cc1 35271570 PFQCCCKWAOJRHG-SFHVURJKSA-N 394.454 2.867 0 1 GFAF CN1CCC(C(=O)N2Cc3c(n[nH]c3NC(=O)c3cccs3)C2(C)C)CC1 71315855 JPAVVQWCECWANY-UHFFFAOYSA-N 387.509 2.643 0 1 GFAF COc1ccc(C(=N)N)cc1S(=O)(=O)NCCc1ccc(C(C)C)cc1 40848171 DGZLWYDZOJFNEA-UHFFFAOYSA-N 375.494 2.624 0 1 GFAF CCN1CCN(C[C@@H](O)COc2ccccc2C(=O)CCc2ccccc2)CC1 73163835 HQFTZDXZUFANGI-OAQYLSRUSA-N 396.531 2.879 0 1 GFAF CCN(CC)CC(C)(C)COC(=O)[C@H](COP(=O)(O)O)c1ccccc1 84759259 RECALSCYZBPOIH-MRXNPFEDSA-N 387.413 2.791 0 1 GFAF in-man C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211438 IDDBTRZRHMVBKE-AWEZNQCLSA-N 380.423 2.796 0 1 GFAF Cc1ccc(C(=O)CSc2nnc(C)n2N2C(=O)c3ccccc3C2=O)cc1 84710190 ITXNELYPWWLIFR-UHFFFAOYSA-N 392.440 2.802 0 1 GFAF CC(C)C[C@H](CC(N)=O)NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1 149227406 DFGLANSYXXIUOY-GFCCVEGCSA-N 387.402 2.920 0 1 GFAF Cc1nc2cc(-n3ncc(C(=O)c4cc(Br)c[nH]4)c3N)ccc2[nH]1 149910509 WHWYKJVHWRZOHC-UHFFFAOYSA-N 385.225 2.961 0 1 GFAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCCC1 95895249 NQZSYQKSNDKNBI-BHIFYINESA-N 379.504 2.717 0 1 GFAF Cc1nc(C(=O)N[C@H](C)C(=O)N[C@@H](CO)CC(C)C)cc2c1[nH]c1ccccc12 38301129 WMJCUWKQHSUXAN-HUUCEWRRSA-N 396.491 2.666 0 1 GFAF biogenic COC(=O)[C@@]1(c2ccc(Cl)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 587368379 IQXZQGBZSHELDO-IBGZPJMESA-N 385.807 2.689 0 1 GFAF CN1CCN(c2ccc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)o2)CC1 962728274 DMGKWJBDCTZJOX-QAPCUYQASA-N 393.409 2.767 0 1 GFAF Cc1onc([C@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC(C)C)cn1 169685427 QOUJVWJBFJLZDL-GOEBONIOSA-N 376.432 2.858 0 1 GFAF Cc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cnn1-c1nc(O)c2c(n1)CCC2 1857583269 RMTFKVQQWWDVDP-LLVKDONJSA-N 395.385 2.580 0 1 GFAF CCOC(=O)[C@@H]1CNC[C@H]1Nc1nc(-c2cc(F)ccc2O)nc2ccccc12 59287714 FMLDBFUXSBWTPY-NVXWUHKLSA-N 396.422 2.705 0 1 GFAF Cc1ccc2nc(C[C@@H]3CN(S(=O)(=O)C(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305964 WNRZZCICWXKXES-HUUCEWRRSA-N 393.509 2.565 0 1 GFAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O 103711285 DMNBRBLWJWCGRV-IYBDPMFKSA-N 395.507 2.599 0 3 GFAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C[C@@H]2OC(=O)[C@]4(C)CCC[C@@]3(C)[C@@H]24)C(=O)O1 2356588270 NTKKRFQRYGKWKB-HTVZBJPASA-N 378.465 2.972 0 1 GFAF CC(=O)OC[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 2356822456 FVTCMCBEUUCUNA-IBGZPJMESA-N 383.400 2.884 0 1 GFAF CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1csc(CC)n1 82073928 ZTWWAUTUJXJMMW-UHFFFAOYSA-N 382.574 2.796 0 1 GFAF O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CN1CC(O)C1 49036004 FWFLTFAOXVWWON-HNNXBMFYSA-N 375.465 2.755 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO2 95688554 NNLGSVIPEFKMPH-VCBZYWHSSA-N 391.512 2.519 0 1 GFAF COC(=O)c1ccc(-n2c(OC)cc(C(C)=O)c2OC)c(O[C@@H]2CCOC2)c1 587924819 KIBSKXLYRZKHLI-CQSZACIVSA-N 389.404 2.651 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(N)=O)n(C)c2)N1 587749267 DEPQBOKYRGTDBV-XYZCENFISA-N 380.261 2.823 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(N)(=O)=O)cc2)N1 587843089 YKMCCFYKICEPKL-XXFAHNHDSA-N 399.285 2.859 0 1 GFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCOCC1 587867188 XRFVLVWHJPNXBL-UHFFFAOYSA-N 383.370 2.940 0 1 GFAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(N)=O)cc3[nH]2)cc1 587041260 FBSLUPKXZRKRNR-QGZVFWFLSA-N 396.472 2.948 0 1 GFAF COc1ccc2c(c1OC)[C@@]1(CCC[C@@H]1CO)N(C(=O)c1ccccc1N)CC2 963156209 OYGLUDMFZACZEH-MWTRTKDXSA-N 396.487 2.972 0 1 GFAF Cc1nnc2sc(C(=O)NC3CN(c4ccnc(Cl)c4)C3)c(N)c2c1C 1772618383 AGGGVLMJJFGVBC-UHFFFAOYSA-N 388.884 2.557 0 1 GFAF COc1ccc(C[C@]2(CCC(=O)N[C@H]3CCOC3)CCC(=O)N2)c2ccccc12 14886597 IBXSPLXLESKATE-SBUREZEXSA-N 396.487 2.725 0 1 GFAF CCOC(=O)Cc1c(C)nc2nc(NCc3ccc(Cl)cc3)nn2c1O 15668908 ZXXZFXFADQLCMW-UHFFFAOYSA-N 375.816 2.509 0 1 GFAF CCC(=O)NCc1ccc(OC[C@@H](O)CNC(C)(C)C)c(Br)c1 169335419 OUZHFGSWRSCFTQ-ZDUSSCGKSA-N 387.318 2.603 0 1 GFAF COC(=O)[C@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169365507 FIRCNUMGFTTXGC-PZTGFMGMSA-N 398.846 2.722 0 1 GFAF CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1 169689796 KIMNGRGQSXOADQ-VQTJNVASSA-N 393.487 2.683 0 1 GFAF CS(=O)(=O)c1n[nH]c(-c2ccccc2-c2nc(-c3ccccc3F)no2)n1 1857637663 SDGAVQURVHBVNV-UHFFFAOYSA-N 385.380 2.731 0 1 GFAF Cc1cccc(N[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]2c2ccccc2)c1 225837135 BDZKULQRRABEFU-WOJBJXKFSA-N 396.516 2.997 0 1 GFAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 2487228 MATVACCDSXCLDS-SFHVURJKSA-N 376.497 2.512 0 1 GFAF Nc1nc(-c2cc(Cl)cc(Cl)c2)c(I)c(=O)[nH]1 3653776 QXOMUWHOYUICFL-UHFFFAOYSA-N 381.988 2.931 0 1 GFAF CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1=O 3958724 LUAXMFDQDVMEOQ-LNLFQRSKSA-N 387.524 2.878 0 3 GFAF Cc1cc(C)n2nc(S(=O)(=O)Nc3c(Cl)ccc4cccnc34)nc2n1 103286439 PAKXETHPGPAKDZ-UHFFFAOYSA-N 388.840 2.744 0 1 GFAF O=C1C(=O)N(c2ncccn2)[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)c1ccco1 110725010 DMPPKPOTCKPWDT-GJZGRUSLSA-N 381.775 2.879 0 1 GFAF Cc1cc(C)n(-c2ccc(N3CCC(N(C)Cc4nncn4C)CC3)cc2)n1 20452135 JEMZCNWZWUKOKH-UHFFFAOYSA-N 379.512 2.718 0 1 GFAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1C(=O)[C@@H](O)[C@H]1[C@@H](C)C(=CC(=O)O)CC[C@H]12 2356527453 AKJOHBVQTUCYSB-UKINEZPCSA-N 378.465 2.589 0 1 GFAF O=C1CCCC(=O)N1CCCCN1CCN(c2nccc3sccc23)CC1 34186872 ZYHNOJHCVDOEEZ-UHFFFAOYSA-N 386.521 2.738 0 1 GFAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](C[C@](C)(O)C(=O)CC[C@]4(C)OC[C@@H]2C)[C@@H]31 35086303 XZPFJFYBJFLLCW-SQPDVZHRSA-N 394.508 2.503 0 1 GFAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@H]32)OCO4)cc2c1OCO2 14858337 GROYKMASYUMFER-QQGDVQBRSA-N 382.368 2.630 0 1 GFAF biogenic O=C1c2c(c3n(c(=O)c2O)CCCCC3)C(=O)N1Cc1cccc(Cl)c1F 71318317 CLNIBTNUPPASTM-UHFFFAOYSA-N 390.798 2.869 0 1 GFAF CCCCNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(CC)n1 82074487 KFWRLNKIBJZRPP-MRXNPFEDSA-N 389.521 2.937 0 1 GFAF COc1nn(-c2ccccc2)c2cc(N3CCN([C@H]4CCNC4)CC3)ccc12 147355315 KEQMXTYZTSWPHX-IBGZPJMESA-N 377.492 2.518 0 1 GFAF O=C(NCc1ccc(F)cc1Cl)[C@H]1COCC(=O)N1Cc1ccccc1 95565834 ZLWAZSDGSOEPRW-QGZVFWFLSA-N 376.815 2.523 0 1 GFAF O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95920648 STCWNIVPPBDNGW-UHFFFAOYSA-N 396.243 2.584 0 1 GFAF in-vitro CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CNC(C)=O 95894811 QIJQIIIFPLFXFT-VWPQPMDRSA-N 384.451 2.694 0 1 GFAF CCCC(=O)OC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NC1CCCCC1 653786730 ZEYIMTYDMKLXAE-IQGVVSCOSA-N 386.492 2.977 0 1 GFAF CCNC(=O)Nc1cn([C@@H]2CCN(C)C2=O)c2cc(-c3cccnc3)cnc12 653763001 ZFKMXFSDIMHLLR-MRXNPFEDSA-N 378.436 2.643 0 1 GFAF Cc1c(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)oc2c1[C@@H](O)CCC2 586903346 JMSICAWPKYOQEQ-LBPRGKRZSA-N 375.450 2.751 0 1 GFAF COC(=O)CN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587768223 LSDJAIFKYNPDQP-NSHDSACASA-N 385.277 2.587 0 1 GFAF O=C(N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)O)OCc1ccccc1 587201700 BINQIXPJIYWIJN-GFCCVEGCSA-N 393.321 2.902 0 1 GFAF C[C@]1(CC(=O)Nc2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575746 CXTOBACFUNWFFA-DYESRHJHSA-N 391.383 2.931 0 1 GFAF O=C([C@H]1Cc2ccccc2[C@@H](Cn2c(=O)oc3ccccc32)N1)C(F)(F)F 962729642 IQBZKOWQUWCEKZ-ZIAGYGMSSA-N 376.334 2.982 0 1 GFAF CN1C(=O)C[C@H]2CN[C@@](CC(=O)CCCO)(c3ccccc3)c3cccc1c32 963037542 VPIZTXMQZZBSQY-HJPURHCSSA-N 378.472 2.715 0 1 GFAF CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3cccnc3)c3ccccc13)C2 1772570378 ROJSPDPQNBFHIU-XGWQRUHWSA-N 376.460 2.617 0 1 GFAF Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610475 KZSDRHSSHPIBAO-UHFFFAOYSA-N 388.435 2.649 0 1 GFAF CC(C)c1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 169322219 GIVYHQMXWVTUTO-SFHVURJKSA-N 391.427 2.955 0 1 GFAF CN(c1cc(=O)[nH]c2ccccc12)C1CCN(C(=O)c2cnn(C)c2Cl)CC1 169350028 CLVXALBTEAMVQN-UHFFFAOYSA-N 399.882 2.656 0 1 GFAF Cc1cc(C(=O)[C@@H]2C(=O)N(C)c3ccccc32)c(C(=O)N2CCCCC2)c(O)n1 1857650922 QHFCIFYYNMLKAC-QGZVFWFLSA-N 393.443 2.665 0 1 GFAF O=C(O)CCCN(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3026315 XQZYOLHKMKLLJK-UHFFFAOYSA-N 396.396 2.790 0 1 GFAF C[C@@H]1CCCCN1CCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 6806352 KNKUPLZDRYKOFM-OAHLLOKOSA-N 388.537 2.737 0 1 GFAF COc1ccccc1-c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O 103300871 UMBNXPNSJPUHDR-OALUTQOASA-N 389.455 2.875 0 1 GFAF O=C(Nc1cc2cccnc2cc1OC1CCNCC1)c1cnn2cccnc12 113651608 QILFNQQJWQSLSG-UHFFFAOYSA-N 388.431 2.661 0 1 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)C/C=C/c1ccccc1 61929900 FSQOMPFTROVZFZ-MAIVGLDJSA-N 398.484 2.586 0 3 GFAF O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@@H](CC2CCCCC2)CN1 28894214 LOUIINLOMUCLNF-AWEZNQCLSA-N 398.912 2.574 0 1 GFAF CC(=O)[C@H]1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1 110650304 VIDKWVJJWDHXJJ-WOJBJXKFSA-N 376.412 2.774 0 1 GFAF Cc1cc2c(cc1C)[C@@]13CCN(C)CC4=CCO[C@@H]5CC(=O)N2[C@H]1[C@H]5[C@H]4CC3=O 2356618089 FLBVMURVUYAZMG-MFYXUWLISA-N 392.499 2.526 0 1 GFAF CC[C@@H]1CCN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2[C@H]1C(=COC)C(=O)OC 2356678453 HEPXCIJEQGEUMT-OVPTVGGWSA-N 384.476 2.700 0 1 GFAF COc1cc(C2=NOC(=O)C2=Cc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1099918 JOKWNBDSGXLXRU-UHFFFAOYSA-N 384.344 2.965 0 1 GFAF biogenic C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC=C2C(=O)O 72283434 BRKFZCVTYKVPPJ-JEWRLFTDSA-N 377.462 2.746 0 1 GFAF NCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82069043 PJGLSVMEEGNHJU-QGZVFWFLSA-N 395.484 2.653 0 1 GFAF O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 95900805 VBPXJTQPFOPDPZ-ODZKNYGOSA-N 398.415 2.800 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC1CCC1)C(=O)CC1CC1 95895081 YYMFWQWOGGGCPW-XJUOHMSHSA-N 384.520 2.791 0 1 GFAF Cc1cc(N2C(=O)c3nn(C)c(O)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O 261120521 JKUNIMOTGXIVSR-MRXNPFEDSA-N 384.823 2.536 0 1 GFAF COC(=O)CCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587762666 ZEDBBOXVDUBKDP-DYZYQPBXSA-N 396.260 2.971 0 1 GFAF COCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587407659 BIVUWPZDRWANIO-SFHVURJKSA-N 375.446 2.704 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4C(=O)C=CC4=O)cc1)[C@@H](C2)C3=O 587435630 HGXRTTFYPAHMQU-AOMKIAJQSA-N 375.380 2.787 0 1 GFAF COc1cncc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 587186255 TVUTWCKZJOJSRB-LLVKDONJSA-N 394.216 2.814 0 1 GFAF COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)CC(=O)c2cc(C)cc(N)c2O1 587383409 ZXMNJWZCHVVHHD-FQEVSTJZSA-N 389.354 2.848 0 1 GFAF COCCN1C(=O)C[C@]2(C=C1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584592 YZESWWBGSKNHNG-KNQAVFIVSA-N 395.411 2.875 0 1 GFAF COc1ccccc1NS(=O)(=O)c1ccc2nc(CC3CC(N)C3)[nH]c2c1 587255829 YLRZZPWKUMTKQX-UHFFFAOYSA-N 386.477 2.652 0 1 GFAF CC1=C[C@]2(NCCc3c2c(C(C)C)nn3C)c2cccc(F)c2N1CC(=O)O 962922239 QSTNAYQFBKHEQV-NRFANRHFSA-N 384.455 2.880 0 1 GFAF COc1cc2c(cc1OC)[C@@]1(CCN(Cc3cccnc3)C(=O)C1)N(C)[C@@H](C)C2 962633150 SWLGSCBFNJMZEB-HJPURHCSSA-N 395.503 2.993 0 1 GFAF CCCCCCCC(=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)OC 148196733 BFWBOYRRPUREAB-KRWDZBQOSA-N 378.469 2.931 0 1 GFAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(F)c(=O)n(C)c2)nc1 1772587967 GXURDGSKIUILJE-ZBFHGGJFSA-N 396.422 2.876 0 1 GFAF COc1cc(CCCN2C(N)=NC[C@@H]2Cc2ccccc2)cc(OC)c1OC 13659623 GSOJKCYIWYAIAV-SFHVURJKSA-N 383.492 2.887 0 3 GFAF CNC(=O)c1coc([C@H]2[C@H]3CC[C@@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 169305075 XRRNUAXUYMWVSW-KNIMUDFMSA-N 384.432 2.555 0 1 GFAF CN(C)C(=O)N=c1[nH][nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12 1857597862 GZYHDJBKGWMXTO-UHFFFAOYSA-N 399.476 2.649 0 1 GFAF O=C(C[C@@H]1CC=CCCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1 253639385 XOSBLLGXOWRWPW-INIZCTEOSA-N 392.883 2.752 0 1 GFAF O=C1NC(=O)/C(=C/c2ccc(OC[C@@H]3CN(c4ccccn4)CCO3)cc2)S1 26573798 XMNRXAOOSVSAOO-FDIDWWNZSA-N 397.456 2.690 0 1 GFAF CC1(C)c2[nH]c3cc(C#N)ccc3c2C(=O)c2cccc(OC[C@@H](O)CO)c21 114801199 RXJHBHGALVWGSZ-ZDUSSCGKSA-N 376.412 2.642 0 1 GFAF c1cc2[nH]nc(-c3cnn(CC4CCOCC4)c3)c2c(OC2CCOCC2)n1 114773037 POPBBIJKTHNGSX-UHFFFAOYSA-N 383.452 2.806 0 1 GFAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]4([C@@H]2C(=O)OC)[C@H]2[C@H](OCC)ON3[C@@H]12 2356799628 UQNGTWIWTORQLU-SNTGGNBLSA-N 380.444 2.756 0 1 GFAF C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)CC1CCCCC1 61902593 FFBWKQBGIASSOW-LJQANCHMSA-N 396.484 2.592 0 3 GFAF CCN(CC)C(=O)c1cccc(NC(=O)COc2ccccc2C(=O)OC)c1 7096820 QOBXTRXEJJWUOR-UHFFFAOYSA-N 384.432 2.973 0 1 GFAF biogenic CC(C)C[C@H]1Oc2ccc(-c3cncnc3)cc2[C@]2(COC(N)=N2)C12COC2 220716239 QQPOTGIGKATGCB-WIYYLYMNSA-N 380.448 2.508 0 1 GFAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@@H]1CO 95866671 JSKVKIFYXLOTBI-XOKHGSTOSA-N 379.298 2.950 0 1 GFAF CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587399065 IGEDWYIXSKEMBX-JOCHJYFZSA-N 397.427 2.969 0 1 GFAF O=C(CCCN1CCOCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660971 JUYQLHFKKIWWFG-UHFFFAOYSA-N 395.434 2.955 0 1 GFAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cc[n+]([O-])cc2)c1F 1772647981 RBTKIKVSOYOTIE-XHDPSFHLSA-N 393.846 2.648 0 1 GFAF CC[C@@](C)(O)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 169347759 YNHIQKSBIVCIOK-SBATXIHRSA-N 397.515 2.774 0 1 GFAF COc1ccccc1CNC1=C(c2cn(C)c3ccccc23)C(=O)N(C)C1=O 1857594965 PWXMFVPWKISHHI-UHFFFAOYSA-N 375.428 2.686 0 1 GFAF COc1ccc([C@H](N[C@H](C(=O)O)C(C)C)c2nnnn2Cc2ccccc2)cc1 1857597786 XFUADLKHGIJKIC-OALUTQOASA-N 395.463 2.518 0 1 GFAF CCOC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(Cl)cc1 12407190 KPQPVPCXNWMUJO-XHSDSOJGSA-N 393.871 2.937 0 1 GFAF CCc1c(C(=O)C(N)=O)c2c(O[C@H](C)C(=O)O)cccc2n1Cc1ccccc1 13605137 WTPLMBCNINDFBY-CYBMUJFWSA-N 394.427 2.772 0 1 GFAF O=C(N1CCCC1)n1c(CN2CCN(c3ccccn3)CC2)nc2ccccc21 27216030 AREKWDVNONIIPS-UHFFFAOYSA-N 390.491 2.817 0 1 GFAF CN1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]1c1ccc(Br)cc1 28647709 KVDOMPWIXVIVQK-HRCADAONSA-N 387.233 2.925 0 1 GFAF CC[C@@H]1CC[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc3ccccc23)C1 28892087 HFCVJZGCTXOFHH-LMMKCTJWSA-N 390.549 2.990 0 1 GFAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1 40405717 IJJKLQPQHYUMEA-UHFFFAOYSA-N 391.470 2.885 0 1 GFAF COc1cc2c3c(c1OCCCO)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72114565 CBJYQNJYXYDYHH-MRXNPFEDSA-N 383.444 2.937 0 1 GFAF CC(=O)NCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82133690 DHXXZKVCQRKTEN-UHFFFAOYSA-N 381.480 2.754 0 1 GFAF Cc1ccc(S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)cc1 95564060 MIJGAIKJGYXJSB-UHFFFAOYSA-N 383.517 2.934 0 1 GFAF COc1ccc(-c2cc(-c3ccc(C(=O)NCCCO)cc3)cnc2N)cn1 95573865 WEMIDIZCMUDJIR-UHFFFAOYSA-N 378.432 2.514 0 1 GFAF NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1 115370993 KRMDPWLIHGQVGZ-UHFFFAOYSA-N 396.885 2.850 0 1 GFAF CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccc(O)cc1 169351896 PVYQWXUFZMPVPD-KRWDZBQOSA-N 391.383 2.585 0 1 GFAF CC(=O)OC[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO 238777274 XAWLPRCYLCCVFP-PNCFOQPXSA-N 394.508 2.751 0 1 GFAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccc(Br)cc2)C1 587365451 CTLBGGWJTXNPDV-NSHDSACASA-N 386.205 2.846 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCS(=O)(=O)CC3)cc1)O2 587409786 JNWUZYUFXRDNOR-IBGZPJMESA-N 386.473 2.519 0 1 GFAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962915080 AITKYOPDTGYLQD-WWRLMZBVSA-N 376.428 2.649 0 1 GFAF CC(C)CN1C(=O)[C@]2(NC[C@H]3CC(=O)N(C)c4cccc2c43)c2ccccc21 963021508 HPUQVXDQTMKOQK-CMJOXMDJSA-N 375.472 2.986 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@@]3(C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)c3cccc1c32 963033775 UPYQONKAPFPWRR-CQHMPISHSA-N 383.492 2.965 0 1 GFAF Cc1c(O)ccc2c1[C@@](C)(c1cccnc1Br)N[C@H](C(=O)O)C2 963548018 DFNHCXXDYJOHPC-YVEFUNNKSA-N 377.238 2.721 0 1 GFAF CS(=O)(=O)c1ccc([C@H]2SCC(=O)N2CCCN2CCCCC2)cc1 1772647671 BAXZUDRJECRMLK-GOSISDBHSA-N 382.551 2.540 0 1 GFAF NC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ccccc32)cc1 1857756973 ZZJZKTSOKMOVJU-FPOVZHCZSA-N 391.471 2.822 0 1 GFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@@H]2[C@@H]1C 2356319439 GJORWROGMGCRDL-NOEZLEOVSA-N 378.557 2.963 0 1 GFAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)c2cc(C)n(C)n2)cc1 2356334768 MUURONUGGNTPNH-NSHDSACASA-N 384.392 2.581 0 1 GFAF Cc1cc(-c2nnc(CCC(=O)N3CCN(Cc4cccnc4)CC3)o2)c(C)o1 36385821 YISGRCFXXGEONQ-UHFFFAOYSA-N 395.463 2.618 0 3 GFAF CC(C)NC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccs2)on1 61905693 CIXYLHGRSGFUOZ-ZDUSSCGKSA-N 383.495 2.790 0 3 GFAF CCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C)C)=C1C 61923419 BQJWSGJCGWMPHP-INIZCTEOSA-N 377.529 2.836 0 3 GFAF Cc1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(C)cc3)C23C(=O)NC(=O)NC3=O)cc1 1860520 RBIQWIHZDUHBLC-OALUTQOASA-N 390.439 2.886 0 1 GFAF COC[C@@H]1OC[C@]2(C)[C@H](CC[C@]3(C)[C@H](CC(=O)N4CCCC4)[C@H](O)CC[C@@H]32)O1 2356313795 BQOPDVGGLLQQJE-BDTXQGIKSA-N 395.540 2.580 0 1 GFAF CC[C@H](Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1)C(=O)OC 104154159 KOUZEULVTMGOPO-LBPRGKRZSA-N 378.841 2.758 0 3 GFAF N[C@H]1CCN(c2ccc(N3Cc4cn(-c5ccc(Cl)cc5)nc4C3=O)cn2)C1 118589503 LQQVAHVFDMZGKJ-HNNXBMFYSA-N 394.866 2.619 0 1 GFAF CCCCOc1nc(N)c2[nH]c(=O)n(CCCCCCC3CCNCC3)c2n1 117288796 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380.525 2.657 0 1 GFAF COc1ccc2nc(COc3ccc(C[C@H](SC)C(N)=O)cc3)n(C)c2c1 149220598 YRWDVEHLYSHYAE-SFHVURJKSA-N 385.489 2.920 0 1 GFAF COC1CCC2(CC1)Cc1ccc(C(F)(F)F)cc1[C@]21N=C(N)N(C)C1=O 140964023 RFBBULGSMBVNPG-ZTUNLMCQSA-N 381.398 2.819 0 1 GFAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN[C@@H](CO)C3 143483106 YKTAGICKDMROTR-LLVKDONJSA-N 377.849 2.926 0 1 GFAF COc1cc(CNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc(OC)c1 263590912 FBBRBRJQXWOOHF-FDPIWHGQSA-N 388.464 2.720 0 3 GFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccnc(Br)c2[nH]1 587223368 DAZPMRBXLBKRLA-JTQLQIEISA-N 375.226 2.804 0 1 GFAF NS(=O)(=O)c1ccc(CCc2nc3cc(Br)c(F)cc3[nH]2)cc1 586930756 XLYHAFQLKGADPQ-UHFFFAOYSA-N 398.257 2.897 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(C)(=O)=O)c(OC)c1)[C@@H](C2)C3=O 587448589 JYDDHWUXINAHFG-XOBRGWDASA-N 388.441 2.770 0 1 GFAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232346 QGSRYHSOWPGTJT-UHFFFAOYSA-N 382.445 2.760 0 1 GFAF c1nc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 1772621017 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CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3C(=O)C[C@H](C)[C@H]2[C@H]3[C@@]1(C)COC(C)=O 2356524858 PVAHTNYAMKYLCM-OICSVGKFSA-N 392.492 2.676 0 1 GFAF CS(=O)(=O)Nc1cc2c(cc1[S@](=O)c1ccc(F)cc1F)C(=O)CC2 27550808 HXUYSFGFPXQBBF-DEOSSOPVSA-N 385.413 2.632 0 1 GFAF COc1c2c(cc3c1[C@@H](CC1=CC(N)=C4C=CC=C[C@H]4N1C)N(C)CC3)OCO2 2356818465 DUAYJLHUITVMLT-RTBURBONSA-N 393.487 2.880 0 1 GFAF Cc1cc(OS(=O)(=O)O)c2c(c1)N1CCCCN1[C@@H]2c1ccc(O)cc1 2356843909 NQRVCPIABXSZEN-GOSISDBHSA-N 376.434 2.802 0 1 GFAF O=C(O)CNC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2cccc(Cl)c2)cc1 68247606 MVTZRJHEQPXHNU-MRXNPFEDSA-N 390.823 2.777 0 1 GFAF O=P(O)(O)[C@@H](CCCc1cccc(Cc2ccccc2)c1)S(=O)(=O)O 40899007 RHDOOWQPCUVIDK-QGZVFWFLSA-N 384.390 2.992 0 1 GFAF CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1coc(-c2ccccc2C)n1 82070837 PJJNACBLZXVKQR-AWEZNQCLSA-N 388.420 2.655 0 1 GFAF CC(C)[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 82206488 DRMFHMLRJXXWPR-SFHVURJKSA-N 397.523 2.896 0 1 GFAF Cc1cccc(Nc2nc3cc(C(N)=O)ccc3n2CCN2CCOCC2)c1 82191448 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N=c1nc(O)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c[nH]1 587253837 RJPPBPDHKSHHPN-UHFFFAOYSA-N 385.019 2.663 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3[nH]cc(C(=O)O)c(=O)c3c1)O2 587394547 HFPQAHNUEGBCED-NRFANRHFSA-N 378.384 2.998 0 1 GFAF O=C(Cn1ccccc1=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661940 UFVFCDIUZCMZQB-UHFFFAOYSA-N 375.359 2.705 0 1 GFAF Cc1ccnc(C2CN([C@H](C)c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)c1 1772621971 CKDFSQLRMILYEF-CQSZACIVSA-N 394.479 2.747 0 1 GFAF C[C@@H](CCn1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1 13782780 KNYIQWUXTSJAQW-INIZCTEOSA-N 385.899 2.750 0 1 GFAF CC/C=C/[C@@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 169326922 XNUWGEPKIOWLHQ-BULRPEHKSA-N 385.460 2.866 0 1 GFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@@H]2[C@@H]1C 2356313703 TUHNQKHRJJVJBN-YNWDOKIPSA-N 390.524 2.860 0 1 GFAF Cc1ccc(S(=O)(=O)N[C@H](CC(=O)NCc2ccco2)c2ccco2)cc1 2938643 HLADKWQVXVEQCN-QGZVFWFLSA-N 388.445 2.907 0 3 GFAF COc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC[C@@H]1COC(=O)N21 2356295381 VAYHYENNXRLCNT-OAHLLOKOSA-N 388.445 2.615 0 1 GFAF COc1cccc2nc(C[C@@H]3CN(C(=O)NC(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356617727 OIBGKKNBXJUHDF-ZIAGYGMSSA-N 388.468 2.645 0 1 GFAF CC(=O)Oc1cc2c(cc1C(CO)CO)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 2356671986 RFZYDRDAPXBEPG-NNWRFLSQSA-N 390.476 2.775 0 1 GFAF CC[C@@H]1CCN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2[C@@H]1C(=COC)C(=O)OC 2356678452 HEPXCIJEQGEUMT-LJRRSDMTSA-N 384.476 2.700 0 1 GFAF Nc1ccc(-c2c[nH]c3ccc(-c4cncc(N5CCNCC5)n4)cc23)c(F)n1 73138087 JBHWJIFAFZAYFD-UHFFFAOYSA-N 389.438 2.818 0 1 GFAF COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1 34104571 GZISCDFYXJHFBQ-UHFFFAOYSA-N 399.516 2.634 0 1 GFAF CN1CCC(C(=O)N2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)CC1 45384843 DUZMNSPOOJGCPL-UHFFFAOYSA-N 381.480 2.581 0 1 GFAF COc1cc(CNc2ncnc3c2ncn3[C@@H]2CCCO2)cc(OC)c1OC 40916928 VCIHMTKKDYOONG-HNNXBMFYSA-N 385.424 2.773 0 1 GFAF CCCC[C@H](NC(=O)[C@@H](CCCC)NC(=O)OCc1ccccc1)C(=O)CO 82061039 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NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)cc(F)c3[nH]2)c1 587260332 RKIAUNFMLARPCE-LBPRGKRZSA-N 377.217 2.806 0 1 GFAF O=C(C[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)NCC(F)(F)F 1772584099 NKVFBGZJEKEROP-XYPYZODXSA-N 380.374 2.948 0 1 GFAF COC(=O)c1ccc2ccccc2c1CCCn1cnc2c1NC=NC[C@H]2O 13807730 MIKPTUCVJMIOKY-GOSISDBHSA-N 378.432 2.943 0 1 GFAF COc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(Cl)c(OC)c1OC 14974552 VODRTTCWUTYLDQ-UHFFFAOYSA-N 384.223 2.789 0 1 GFAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1cccnn1 1857572458 YRAOGVHUKIFUCD-UHFFFAOYSA-N 398.348 2.963 0 1 GFAF Nc1cccnc1N1CCC(C(=O)Nc2ccc(-n3nccn3)c(Cl)c2)CC1 1857638529 DECWMEUVVFELTP-UHFFFAOYSA-N 397.870 2.753 0 1 GFAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 2487226 MATVACCDSXCLDS-GOSISDBHSA-N 376.497 2.512 0 1 GFAF COC(=O)[C@@H]1CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@@H]12 2356460422 UPGSFJFFXVRXIF-DPZUNCSASA-N 384.476 2.920 0 1 GFAF CS(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(C(F)(F)F)c1 100285995 DCYFPVDEBRJURE-JMSVASOKSA-N 390.427 2.776 0 1 GFAF N[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)C1 103284674 MQDGJABWEBWQLZ-NSHDSACASA-N 385.370 2.505 0 1 GFAF COc1ccc(C[C@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C)cc1 27564684 YGEKRXCIQJDLDQ-QGZVFWFLSA-N 384.457 2.828 0 1 GFAF C[C@@H]1C(=CC(=O)N(C)CCO)CC[C@@H]2[C@@H]1[C@H](O)C[C@@H]1C(C)(C)[C@H](O)CC[C@@]12C 2356527024 TVMAIDIIHRPKGC-XRNLATQLSA-N 393.568 2.594 0 1 GFAF NC1=N[C@](c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)(C(F)F)COC1 113658762 RASUIEXPAHHRBC-QGZVFWFLSA-N 398.772 2.974 0 1 GFAF O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1cc(F)ccc1F 40943251 PFBNWRHMIMOGKS-UHFFFAOYSA-N 380.372 2.806 0 1 GFAF CC(C)n1cnc2c(NCc3cccnc3)nc(NC[C@@H](O)C(F)(F)F)nc21 96177803 XQYCTMGXRKRCSW-GFCCVEGCSA-N 395.389 2.749 0 1 GFAF Cc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc3ccccc23)c(C)c1 473085201 VSQWIEBRBIULSL-UHFFFAOYSA-N 377.492 2.526 0 1 GFAF COc1ccccc1CN(C)CCCNC(=O)c1cc(=O)c2c(O)cccc2o1 299857601 NXIHKDFOKCEMTB-UHFFFAOYSA-N 396.443 2.759 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 587228876 SLTKJFSZEFTWLW-QGZVFWFLSA-N 396.407 2.785 0 1 GFAF NC(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580164 RCFFTKFXPSPCSJ-DENIHFKCSA-N 391.379 2.959 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587135261 WHCJCIADBNVXEI-UHFFFAOYSA-N 377.344 2.722 0 1 GFAF CCOC(=O)c1cc(Br)c2[nH]c(-c3nn(C)c(O)c3F)nc2c1 587156773 YTYOQFOLYPMJJJ-UHFFFAOYSA-N 383.177 2.747 0 1 GFAF COC(=O)[C@@]1(CC(C)=O)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640953 MPGKVBZVSYKAFH-NZQKXSOJSA-N 378.472 2.781 0 1 GFAF COC[C@]1(C2CCOCC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962646651 SVEJREOABQBRGZ-YADHBBJMSA-N 384.476 2.602 0 1 GFAF COC(=O)C(=O)C[C@]1(CC(C)C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962634445 UIECVOORJNVXBK-LHSJRXKWSA-N 377.481 2.954 0 1 GFAF CCOC(=O)N1CCC(N2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)CC1 11763994 VEJWXYSZZCNYIY-JOCHJYFZSA-N 390.524 2.933 0 3 GFAF O=C1c2cc3c(cc2C2(CC2)N1CCC1CCN(Cc2ccn[nH]2)CC1)OCO3 206576341 KWPDGSOZMICRDZ-UHFFFAOYSA-N 394.475 2.886 0 1 GFAF Cc1ccccc1CN1CCN(c2cnnc(O)c2Br)C[C@H]1C 1857607780 UMJNNQDSEFELCH-CYBMUJFWSA-N 377.286 2.964 0 1 GFAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1cc2ccccc2n2nnnc12 100028586 CDAHPWCUCQMJNC-BYFYWULKSA-N 393.403 2.699 0 1 GFAF CO[C@]12CC(C)=CCC[C@H](C)[C@H]3CC[C@@](C)(O3)[C@@H](O)[C@@H](O)C1=C(C)C(=O)O2 2356455516 XNCQSLQRDRRFCP-KDOZFHKYSA-N 380.481 2.628 0 1 GFAF Cc1cnc(NC(=O)C2=C(O)c3cc(Cl)ccc3S(=O)(=O)N2C)s1 28107624 PCFKTFSTZWIDRB-UHFFFAOYSA-N 385.854 2.604 0 1 GFAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C[C@@H]2OC(=O)[C@]4(C)CCC[C@]3(C)[C@H]24)C(=O)O1 2356588273 NTKKRFQRYGKWKB-YGJAIUOISA-N 378.465 2.972 0 1 GFAF CC[C@H]1CCCCN1CC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)OC 2106347 FKCDQXJINAXMSS-MGPUTAFESA-N 383.492 2.859 0 1 GFAF biogenic CN(C)C(=O)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 223678640 ICCSIUNQZZYZGX-GFCCVEGCSA-N 383.481 2.621 0 1 GFAF CC(C)N1CCN(c2cc(-c3n[nH]c4ccc(-c5ccn[nH]5)cc34)ncn2)CC1 221157964 BTSIQGCRXFIILL-UHFFFAOYSA-N 388.479 2.940 0 1 GFAF COC(=O)C[C@@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCCCCC1 40465164 WJUUHOHVFWTNLD-HNNXBMFYSA-N 379.453 2.725 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)c3ccccc3)C23CN(C(C)=O)C3)cc1 95794881 QUMZEVBEPXTPSY-QAQQIRGBSA-N 390.483 2.921 0 1 GFAF CCS(=O)(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3Cl)[C@H]2C1 261124389 JZUYHIAQGMBZNI-VZJVUDMVSA-N 391.320 2.783 0 1 GFAF COc1nccc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c12 586936852 NWZSRTIZKXNSFB-AWEZNQCLSA-N 392.506 2.739 0 1 GFAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)[C@H](C)F)[nH]c3c2)cc1 587126077 VPPFMSRKJQAWIV-MGPLVRAMSA-N 378.429 2.730 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncnc2[nH]1 586938702 XSLOQDGLEHXOSZ-ZDUSSCGKSA-N 391.522 2.742 0 1 GFAF O=C(C[S@](=O)Cn1cc(Cl)cn1)n1nc2cc1Oc1ccc(F)cc1-2 587876962 YJMFYPYWUAMZST-VWLOTQADSA-N 380.788 2.691 0 1 GFAF Cc1c(O)ccc2c1[C@H](C1(C)CN(C(=O)OC(C)(C)C)C1)N[C@H](C(=O)O)C2 963525221 LQVHLOMMGPASGS-XJKSGUPXSA-N 376.453 2.598 0 1 GFAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cnc3c[nH]nc3c2)cc1 1772573888 QBUISKDCOZPQPI-UHFFFAOYSA-N 386.415 2.722 0 1 GFAF c1ccc(CN2CCN3CCN(CC2)CCN(Cc2ccccc2)CC3)cc1 19365735 UCEDWWORPBBYIP-UHFFFAOYSA-N 378.564 2.622 0 1 GFAF O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@H]([C@@H]35)N2Cc1cccc(I)c1 169295955 CAYMCWKKHULDBH-MPBJDUKMSA-N 391.252 2.552 0 1 GFAF Cc1ccc([C@H](Nc2c(Nc3ccc[nH]c3=O)c(=O)c2=O)[C@H]2CCCS2)o1 207395307 XETXTFIIXKTWPQ-KGLIPLIRSA-N 385.445 2.665 0 1 GFAF C[C@@H](O)CCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 602516 BHQIBLIRLOZADN-MRXNPFEDSA-N 385.508 2.637 0 1 GFAF CNC(=O)[C@H](c1ccccc1F)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 2356290360 QQQRCTBZYBDVQW-UXHICEINSA-N 383.467 2.736 0 1 GFAF CCc1nn(CC(=O)N(CC)Cc2ccccc2)c(=O)c2cc3occc3n12 6807331 SKSXTBQOFJDUGZ-UHFFFAOYSA-N 378.432 2.853 0 1 GFAF COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc(N)cc1 28135006 FXJNMAADTCUZOE-UHFFFAOYSA-N 383.473 2.846 0 1 GFAF CCN(CCCNC(=O)c1c(C)oc2c1C1=NCCN1C=N2)Cc1ccccc1 100696554 MHCLKGMBJIOWSE-UHFFFAOYSA-N 393.491 2.966 0 1 GFAF CN1CCN(CCCNc2cc3nc(N)c(-c4ccccc4)cc3cn2)CC1 22933812 MMUWCCHKZMSZJM-UHFFFAOYSA-N 376.508 2.928 0 1 GFAF CC=C1CN2[C@@H](OC)C[C@@]34C(=Nc5c(OC)cc(OC)cc53)[C@H]2C[C@H]1[C@H]4C(=O)O 2356494936 XYBVYJHXXUTYAN-YPSQWYMQSA-N 398.459 2.755 0 1 GFAF COc1ccc([C@@H]2Oc3c4c(cc(O)c3C(=O)[C@H]2O)OC(C)(C)C=C4)cc1O 2356754506 KAJUHLFVBDUNFT-MOPGFXCFSA-N 384.384 2.968 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cnc2[nH]1 586937456 PUMCQGNNXHETEA-ZDUSSCGKSA-N 380.470 2.870 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12 587070617 SWZZRKQTPGMEGK-ZDUSSCGKSA-N 392.912 2.752 0 1 GFAF COC(=O)c1cc2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2cc1OC 587035360 SQODMKLRWNKUKE-UHFFFAOYSA-N 385.445 2.838 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)c3cccc1c32 963034350 RFVHUKVFWKNMDY-MCMMXHMISA-N 375.428 2.744 0 1 GFAF CN(C)C(=O)CN1CCC2(CC1)c1ccsc1CCN2Cc1cccnc1 962999366 QUYVNXBJANBNGR-UHFFFAOYSA-N 384.549 2.581 0 1 GFAF COC[C@H](NC(=O)Nc1cc2[nH]nc(N[C@H]3CCOC3)c2cn1)c1ccccc1 1772574751 RUMKJXOZRUTZDG-YOEHRIQHSA-N 396.451 2.668 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C\C(=O)O)cc3[C@H]2C(=O)O)ccc1O 15153046 JTHPLBUVRLOJBB-GPGHGMIHSA-N 386.356 2.809 0 1 GFAF endogenous,in-man O=C(O)CC[C@H]1CCC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 166153349 CYLHGVYASRLHMY-OVCPVMRKSA-N 390.476 2.782 0 1 GFAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@](C)(O)c2ccc(Cl)cc2)CC1 207097604 FSRMRNHKSUCZDY-GOSISDBHSA-N 397.928 2.988 0 1 GFAF Cn1nccc1-c1coc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c1 1857610862 ISDJUNKHWDUIRU-WMLDXEAASA-N 386.402 2.834 0 1 GFAF COc1cc(CNC(=S)NCCc2ccc(Cl)cc2)ccc1OCCN 1548138 HDRFKJZUJQBRMH-UHFFFAOYSA-N 393.940 2.893 0 1 GFAF COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccc4c(c3)OCO4)no2)c1N 6868088 JFVZSOHTQMINIZ-UHFFFAOYSA-N 392.375 2.612 0 1 GFAF CCCSc1nc(NC)ncc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101550211 FZJGLFGFJINUAX-AVWGZMEESA-N 376.526 2.690 0 1 GFAF CN1C[C@H]2[C@@H](C1)[C@@H]2CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cn(C)cn1 103271430 VLRZGIHSKGUGTB-FICVDOATSA-N 376.863 2.663 0 1 GFAF COc1ccc([C@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@H]2O)cc1 27727747 VFPTVCDWPKNPCA-RBUKOAKNSA-N 390.480 2.937 0 1 GFAF CNCc1cn(S(=O)(=O)c2cccnc2Cl)c(-c2cccnc2F)c1F 116579012 CPDYRDFUGHANTL-UHFFFAOYSA-N 398.822 2.833 0 1 GFAF CC[C@H]1CCCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28892063 KMHBKDJSYQLVTR-ROUUACIJSA-N 376.522 2.744 0 1 GFAF Nc1nc(N)c2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1 29463202 HHWIWTYLCSYMPN-UHFFFAOYSA-N 384.248 2.902 0 1 GFAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN(CCO)CC2)cc1 28761670 HJHFEEUEXKTIKY-QHCPKHFHSA-N 395.547 2.868 0 1 GFAF O=C(O)c1cc(C(=O)O/C=C/c2cc3c(O)ccc(O)c3cc2O)c(O)cc1O 33831290 GVOVUUGMYUOPJR-ONEGZZNKSA-N 398.323 2.894 0 1 GFAF biogenic,in-vitro COc1ccc([C@@]2(c3ccc(F)c(-c4cncnc4)c3)NC(=N)N(C)C2=O)cc1 43103529 RVOJQIIUOOLEPR-NRFANRHFSA-N 391.406 2.531 0 1 GFAF C[C@@]12[C@H]3C[C@H](C[C@@H]3O)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O 141913674 MSTUMOQHZHYIEH-RLPSOPLKSA-N 386.395 2.502 0 1 GFAF COCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@H]2CO 95877859 CCYDRPIXILLTMH-PIPMEXSNSA-N 384.451 2.839 0 1 GFAF CC(=O)C[C@@H]1C2=C(O)[C@@H](CC[C@H](O)C[C@H]3C=C[C@@H]4C(=O)[C@H](C)C[C@@H]4[C@H]31)OC2=O 238749771 CCFPLORINZAHKY-VPKDUOLOSA-N 388.460 2.508 0 1 GFAF COC(=O)C1=CC[C@H]2OC(=O)[C@@]13CC[C@H](C)[C@]1(C[C@H](c4ccoc4)OC1=O)[C@@H]23 33830386 NUKMRHUFXQHPKW-HFJBLDEISA-N 386.400 2.715 0 1 GFAF biogenic O=S(=O)(O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587076440 SXDPUODBLMZLKS-UHFFFAOYSA-N 375.797 2.711 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@]1(C)CCS(=O)(=O)C1 587869485 KOGLZJVBFVNTFZ-CQSZACIVSA-N 375.372 2.506 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=O)O)cc3[nH]2)CCC(O)CC1 587236612 BIRDZGMVFCXLOL-UHFFFAOYSA-N 375.425 2.916 0 1 GFAF O=C(O)C1C[C@H]2COC[C@@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611487 RVMGYTIGRITBRE-RYROBMCVSA-N 396.395 2.850 0 1 GFAF COc1cc(Br)c([C@@H](N)c2nc3cncc(OC)c3[nH]2)cc1OC 586975022 IYUMHMNPVRBJFO-CQSZACIVSA-N 393.241 2.794 0 1 GFAF CNCCOc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2 148023230 RWKPVGFYJAQRPO-UHFFFAOYSA-N 392.864 2.949 0 1 GFAF O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Nc1ccccc1 13446592 PMKVUAMGQRYBBI-LJQANCHMSA-N 376.416 2.975 0 1 GFAF O=C(NCCNCc1cccc(-n2cccn2)n1)C12CC3CC(CC(C3)C1)C2 13782311 QPVNRIKBOANOCT-UHFFFAOYSA-N 379.508 2.690 0 1 GFAF CCOc1cc(O[C@@H]2CCOC2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953326 ZKEPSHHZWYCVRH-VQIMIIECSA-N 399.447 2.775 0 1 GFAF CC(C)(C(=O)NCc1ccco1)n1cc(NC(=O)c2ccc3c(c2)OCO3)cn1 205215071 CUOJTYBQYYVNED-UHFFFAOYSA-N 396.403 2.509 0 3 GFAF Cn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(N)(=O)=O)cc21 1857576600 NUOSEGUBWBCTJI-UHFFFAOYSA-N 393.468 2.505 0 1 GFAF CN=c1[nH]cc(C(=O)OCc2cccc(Cl)c2)c2nc(-c3ccco3)nn12 1857765734 DJRSOIJPBWJXST-UHFFFAOYSA-N 383.795 2.858 0 1 GFAF COc1ccc2c(C=O)c3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2 1656690 YISKKWOKBIOAPF-UHFFFAOYSA-N 379.368 2.783 0 1 GFAF Cc1ncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)s1 3814634 AECYABHQXVFAKO-UHFFFAOYSA-N 388.396 2.970 0 1 GFAF Cc1cccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)c1 103545500 DFCTYTZDHUAVNE-MRXNPFEDSA-N 385.423 2.941 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4cccc(OC)c4)C[C@@H]2N3)cc1 100107486 IHUBTMAANNXXMR-UKTBEZCDSA-N 384.501 2.857 0 1 GFAF Cc1ccc(CN2C(=O)[C@@H]3CS[C@]4(C(=O)Nc5ccccc54)N3C2=O)cc1 66251415 MCPQMUHSRIYYPQ-OXJNMPFZSA-N 379.441 2.680 0 1 GFAF CCOC(=O)Cc1c(C)nc2nc(NCc3ccc(C(C)C)cc3)nn2c1O 21178550 VUQKQVSATGGWJC-UHFFFAOYSA-N 383.452 2.979 0 1 GFAF N[C@H](Cc1ccccc1)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 61908472 WMKFDWYUSKPXKD-MRXNPFEDSA-N 397.504 2.636 0 3 GFAF CC1=C[C@H](CNS(C)(=O)=O)[C@@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 2356439245 JWHQEKGZLNROPP-GVDBMIGSSA-N 379.526 2.814 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1C[C@@H](O)C2=O 2356442389 ALBNSVAJDFJRKQ-VKRZGTMMSA-N 384.494 2.677 0 1 GFAF CC1(C)CCc2c(ccc3c2O[C@@H]2COc4cc5c(cc4[C@]2(O)C3=O)OCO5)O1 2356551544 JAENCNMEYVVXFZ-XMSQKQJNSA-N 396.395 2.743 0 1 GFAF O=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc12 71280496 TUTPYKJPJOGRFY-UHFFFAOYSA-N 393.531 2.804 0 1 GFAF Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3)c(=O)n(C)n2)nc1 221924162 RAGHCFNEIHQDGO-MSOLQXFVSA-N 391.475 2.982 0 1 GFAF COc1cc(C[C@H]2COC(=O)/C2=C/c2cc(O)c(OC)c(OC)c2)ccc1O 238775232 AQRZXICAIIHSSY-UUINEXAVSA-N 386.400 2.923 0 1 GFAF COC1CCC2(CC1)Cc1ccc(C(F)(F)F)cc1[C@@]21N=C(N)N(C)C1=O 140963836 RFBBULGSMBVNPG-SYGMWZTRSA-N 381.398 2.819 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1 95867834 ZBNDOCCMKSOYDY-LJQANCHMSA-N 399.441 2.845 0 1 GFAF COc1ccc(C[C@H](N)c2nc(=O)c3cc(-c4cn[nH]c4)ccc3[nH]2)cc1OC 95592021 GBCXUWILZAHWQL-INIZCTEOSA-N 391.431 2.573 0 1 GFAF O=C(NCCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 96271368 MRRDXYOPUFNHJV-UHFFFAOYSA-N 388.493 2.620 0 1 GFAF Cc1ccc(N2CCc3c(NS(=O)(=O)c4ccccc4)n[nH]c3C2=O)cc1 96916179 MZTBHIKNZRLUGD-UHFFFAOYSA-N 382.445 2.722 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CNS(=O)(=O)c3ccsc31)CC2=O 587491054 ICHWHBJEUKYCAC-KRWDZBQOSA-N 379.459 2.559 0 1 GFAF CCn1c(O)nc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1=O 587864004 VNOFMPZJLFEFKP-UHFFFAOYSA-N 380.326 2.849 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 586946591 MMEYSLUMRKCOOV-ZDUSSCGKSA-N 393.415 2.965 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1c(N(C)C)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O 587437797 JZBBBKGAMKXRES-LIRRHRJNSA-N 391.427 2.566 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC(=O)N(C)C)CC2)N1 587767740 KLGAUYOXGPKNTM-GFCCVEGCSA-N 398.320 2.502 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 587236054 WZKAHEFNOFIJSF-VXGBXAGGSA-N 394.497 2.761 0 1 GFAF NS(=O)(=O)c1ccccc1NC(=O)Nc1c(F)c(F)c(F)c(F)c1F 13561067 VTPKYFJBRYSVHP-UHFFFAOYSA-N 381.282 2.674 0 1 GFAF CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccccn2)CC1 169302671 KNKZYCJBFKLOOG-LJQANCHMSA-N 377.496 2.735 0 3 GFAF Cc1nc(OCc2cn(C3CCN(Cc4ccccc4)CC3)nn2)nc(C)c1N 1857574003 IWOQPFCQNRMSNZ-UHFFFAOYSA-N 393.495 2.683 0 1 GFAF COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2cccnc2)C=C1C 2356314087 DOUFMKWVCOCOFL-ZCNNSNEGSA-N 387.524 2.819 0 1 GFAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(COC(C)=O)C(=O)OC 2356613573 QBHALCZZZWCCLV-NNYHOXTNSA-N 394.471 2.787 0 1 GFAF CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)Nc1cccc(O)c1 5412706 KVYVFBJIRIXGHX-HOTGVXAUSA-N 375.469 2.521 0 1 GFAF biogenic Cc1cn2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl 73313444 SQIHDUNGUKRZME-UHFFFAOYSA-N 393.274 2.996 0 1 GFAF CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(C3CCCCC3)c(=O)n12 72108953 QNTGEZMPTHLOLQ-GOSISDBHSA-N 383.448 2.723 0 1 GFAF Cn1c(N2CCO[C@H]3c4ccccc4CC[C@@H]32)nc(-c2ccncc2F)cc1=O 43175870 CSSRUFUOLVLSMY-FPOVZHCZSA-N 392.434 2.874 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(CC(C)C)C(=O)c1ccccn1 95895963 JYEONRJNSJJOQW-VSKRKVRLSA-N 395.503 2.555 0 1 GFAF COC(=O)C(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587809488 RNTFSCXPVUNOLT-NSTVUXKKSA-N 384.245 2.860 0 1 GFAF CCS(=O)(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924191 KPYPHBNZTZWJGF-ZHACJKMWSA-N 376.459 2.801 0 1 GFAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586923467 MEPPNXRDSZLSMV-UHFFFAOYSA-N 394.456 2.642 0 1 GFAF Oc1cc(O)nc(SCc2nc3c(Cl)c(Br)cnc3[nH]2)n1 586966574 JGBKBUYKYAYDCU-UHFFFAOYSA-N 388.634 2.867 0 1 GFAF COc1ccc(Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC 587927400 UDEGXOMTSXIIAA-UHFFFAOYSA-N 378.432 2.926 0 1 GFAF CC(C)Oc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586957858 DPZRFHFDKHFXMH-SFHVURJKSA-N 375.450 2.819 0 1 GFAF Cc1nc(O)c([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(O)n1 962964285 ZYAUWVBWSJCOMF-HNNXBMFYSA-N 395.381 2.956 0 1 GFAF COCCOc1ccnc(NC(=O)c2csc(-c3nncn3C(C)C)n2)c1 1772648478 YDJAIOVUUHNVID-UHFFFAOYSA-N 388.453 2.655 0 1 GFAF O=C(O)C[C@@](O)(C[C@H](O)CCCCn1ccc2cc(Cl)ccc21)C(=O)O 13781084 OQKAHFATIDKFKA-KDOFPFPSSA-N 383.828 2.506 0 1 GFAF CN1C=CN(CCN(Cc2ccccc2)S(=O)(=O)C(F)(F)F)C1=CN=O 1857535654 XDYQQFUMPVMUSL-UHFFFAOYSA-N 390.387 2.622 0 1 GFAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4041034 PZLBWILAVIBRLK-CTNGQTDRSA-N 398.507 2.895 0 1 GFAF Cn1cc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(F)cc1 8610083 JRIGNLQACFDQAB-UHFFFAOYSA-N 393.484 2.659 0 1 GFAF Cc1cccc(Nc2nc(Cl)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1 103269440 VBOVAJFRUPXPBN-UHFFFAOYSA-N 390.856 2.968 0 1 GFAF CC(C)c1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 117652412 BWMPFRQENZHKOO-KRWDZBQOSA-N 391.427 2.955 0 1 GFAF O=C1c2cnn(-c3ccccn3)c2CCCN1[C@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101668560 QDAUCYFWRJSXFP-PQIHCNTDSA-N 378.476 2.595 0 1 GFAF CCOC(=O)N1CC[C@@H]2c3c(nc(-c4ccc(OC)cc4)[nH]c3=O)S[C@@H]2C1 28524494 WJLYNZTYNQMVLS-UONOGXRCSA-N 387.461 2.866 0 1 GFAF CN1C[C@H](NCC2CC2)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356455035 DSSCLTIVLAXSQG-QFBILLFUSA-N 393.478 2.598 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@]3(O)OC(=O)C(C)=C3[C@H](OC)[C@]2(C)[C@@H]1C 2356545827 PRSQOZKCWFGGER-FXHSNJNRSA-N 376.449 2.818 0 1 GFAF Cc1nc(C)c(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)o1 28528929 DNASOPMPZKFRCW-UHFFFAOYSA-N 391.475 2.794 0 1 GFAF CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(N)c1=O 66103415 LKSHSSGONRYXRP-UHFFFAOYSA-N 379.460 2.612 0 1 GFAF CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4ccncc4)nc23)C1=O 28825884 FZAQXUJLIRIAMZ-UHFFFAOYSA-N 385.427 2.936 0 1 GFAF O=c1n(CCCN2CCOCC2)nc2n1-c1ccc3ccccc3c1SC2 31897381 LHWDEJCFTYTPSW-UHFFFAOYSA-N 382.489 2.515 0 1 GFAF COc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H](O)[C@@H](c1ccccc1O)O2 14648210 XZNFAYXFFDZGJD-UYAOXDASSA-N 386.400 2.998 0 1 GFAF biogenic COc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc2c1O[C@@H](C(C)(C)O)C2 14658524 JFOWWAZXLBKLIO-QGZVFWFLSA-N 384.384 2.954 0 1 GFAF biogenic Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1CCC[C@@H](O)C1 222368680 SKLNJZRVHSSOOX-UONOGXRCSA-N 391.475 2.935 0 1 GFAF CC1=C[C@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)OCC(=O)OC(C)(C)C 299832649 KATYGPKDIWWZCL-OPVYXJOVSA-N 380.481 2.842 0 1 GFAF CCCCc1ccc(C(=O)N=c2[nH]nc(S(=O)(=O)CCCC)s2)nc1 473152132 PUFZDIOXMXCLFK-UHFFFAOYSA-N 382.511 2.524 0 1 GFAF Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(F)cc3)c(=O)c2c1 299837512 QVURITJTOBJZDG-UHFFFAOYSA-N 392.390 2.812 0 1 GFAF COc1cc(Br)c([C@H](N)c2nc3cc(N)c(N)cc3[nH]2)cc1OC 586974202 CSXLUFZGXWVFSV-HNNXBMFYSA-N 392.257 2.555 0 1 GFAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)cc1 587970503 IQYWCLJAWCHVTR-MUJYYYPQSA-N 396.355 2.641 0 1 GFAF CCCCOc1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2cc1Br 587260368 USOLDQPXDMRYCY-NSHDSACASA-N 398.305 2.953 0 1 GFAF CCc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2cc(C)ccc2-n2nccn2)nc1 1772592435 HHTNYKJLHKZJQA-ROUUACIJSA-N 391.479 2.691 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1 1772624988 KTMKSUODWWRPTO-GFCCVEGCSA-N 384.415 2.816 0 1 GFAF C[C@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC[C@@H](Oc2ncccn2)C1 1772634218 AVHKQLOHKFYOJJ-UKRRQHHQSA-N 395.467 2.651 0 1 GFAF COc1ccc(CNC(=O)Cn2cc(Cc3c[nH]c4ccccc34)nn2)cc1 169328195 SVRQXTKNWNSBFF-UHFFFAOYSA-N 375.432 2.675 0 1 GFAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(C(F)(F)F)cn3)c12 169697315 OMKXINBQPVUPTR-UHFFFAOYSA-N 388.357 2.956 0 1 GFAF O=C(O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(O)c3CC2)cc1 1857566448 VPZFBIXVIJTFLM-UHFFFAOYSA-N 389.411 2.788 0 1 GFAF COc1ccc2c(c1)c(-c1c[nH]c(=N)[nH]1)cn2S(=O)(=O)c1cccc(F)c1 1857619332 KSFMOSSPPNHXCZ-UHFFFAOYSA-N 386.408 2.829 0 1 GFAF COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)c(OC)c1OC 767656 KSGQSSYEKYYVFX-SJLPKXTDSA-N 384.432 2.892 0 1 GFAF CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)C1 4051788 DVBWTGDJUHVJQV-SCTDSRPQSA-N 383.473 2.577 0 1 GFAF Cc1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)cc1 29041428 BNXUVHSQMZRHIA-UHFFFAOYSA-N 384.461 2.592 0 1 GFAF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1cccnc1)CC2 28090715 KMJUSLJSIQPVPU-UHFFFAOYSA-N 397.519 2.591 0 1 GFAF O=C1N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3c(=O)n2-c2ncccc21 61921440 ZMIAAKXFISUVOD-GOSISDBHSA-N 384.395 2.514 0 3 GFAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCOCC1)C2 4222641 BKNFFXDDRUCVJO-PKOBYXMFSA-N 388.552 2.844 0 1 GFAF biogenic CC[C@]1(C)C=C2[C@@H](OC(C)=O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)CC1 73220213 NOQLVDHCSDJECN-VOQHJLGFSA-N 392.492 2.857 0 1 GFAF Nc1ccc([C@H]2SCC(=O)N2NC(=O)CSc2nc3ccccc3[nH]2)cc1 49053744 ALRUDUYFOUUQSJ-QGZVFWFLSA-N 399.501 2.543 0 1 GFAF COC(=O)N(C)C[C@@]12C=C[C@@](C)(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 16921864 VLTDCCSJLCASIJ-NXEZZACHSA-N 377.051 2.699 0 1 GFAF biogenic COc1ccc(-c2cc(=O)c3cc(CN4CCNCC4)ccc3o2)cc1OC 45290620 ZQESMDCLROQPOQ-UHFFFAOYSA-N 380.444 2.882 0 1 GFAF CC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O 95895388 HLWYRRZQOIEKTJ-FKBYEOEOSA-N 384.451 2.646 0 1 GFAF COC(=O)[C@@H]1N2CCC(CC2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587790642 IYTBLOITBGDSLY-MENVHETRSA-N 397.288 2.585 0 1 GFAF Cc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1C 587182763 SDENMKYNVQBMRH-UHFFFAOYSA-N 382.161 2.653 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 587829403 WNROCAIKOWJULP-SXGDHLDYSA-N 386.217 2.513 0 1 GFAF Cc1ccc(S(=O)(=O)n2ccc(-c3nc4nc(O)nc(O)c4cc3C)c2)cc1 587564093 ZCTQAVAOMKZILM-UHFFFAOYSA-N 396.428 2.758 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCCC(=O)O)c2ccccc21 587401145 SRMJBBPXRBHDNT-NRFANRHFSA-N 380.400 2.649 0 1 GFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 586950629 KJKKTKNUUIWWNV-UHFFFAOYSA-N 386.433 2.711 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587791945 NGTZKSSOLUQIQR-KRTXAFLBSA-N 398.232 2.817 0 1 GFAF COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](C(=O)c2ccccc2)N2CCC[C@H]32)cc1 13136467 NMGOVUSWQPVCMX-IYWMVGAKSA-N 390.439 2.530 0 1 GFAF COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(OC)c1 13582627 MRFMXCDMVCFHFP-UHFFFAOYSA-N 378.392 2.956 0 1 GFAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCOCCOCCO)ccc12 13864236 IRIURZYEEIZBHM-UHFFFAOYSA-N 386.400 2.570 0 1 GFAF CC(C)NC[C@H](O)COc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 169318967 DERGTSKZILREBL-HNNXBMFYSA-N 383.897 2.911 0 1 GFAF CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)CCCC(=O)O)c3ccccc23)S1 169319796 WSCZWFKCUPORQB-DIFFPNOSSA-N 387.461 2.857 0 1 GFAF Cc1onc([C@@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NCC2CC2)cn1 169685437 JNPJLUSXOXTGGB-WBVHZDCISA-N 388.443 2.859 0 1 GFAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(OC)cc2)=N1 101341293 MRIGXBXXAGIPMT-WBVHZDCISA-N 390.395 2.652 0 1 GFAF O=C1OC[C@H](Cc2ccc3c(c2)OCCO3)[C@@H]1Cc1ccc2c(c1)OCCO2 2356291223 OJMUIANQXJLYDP-IRXDYDNUSA-N 382.412 2.803 0 1 GFAF CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703201 PYKOICJEFGYRSR-INIZCTEOSA-N 381.432 2.697 0 1 GFAF CN(C)c1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103247095 VOTXOQTXELYMHT-XQAOQLNRSA-N 391.537 2.730 0 1 GFAF CN1CCN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1 58575592 NVHXHWFKRHCFCI-UHFFFAOYSA-N 394.523 2.739 0 1 GFAF Cc1nn(Cc2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C)c1CC(=O)O 113989847 ZAYRDADWHKWYBE-UHFFFAOYSA-N 399.472 2.976 0 1 GFAF CCOC(=O)C1=c2cc(Br)sc2=C(C)O[P@@]1(=O)OCC 64437235 ACHOPHIFDCGHQS-IBGZPJMESA-N 381.184 2.570 0 1 GFAF CC(=CCCC(C)C)c1ccc(CO[C@@H]2C[C@H](O)[C@@H](O)[C@H](CO)O2)cc1O 2356807573 XWHFMJTZPNHZQL-XSDIEEQYSA-N 380.481 2.577 0 1 GFAF COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 36384271 SOBWFUXGHJLZMJ-PKOBYXMFSA-N 398.459 2.505 0 3 GFAF COCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 40951935 TUYVVCADIGOSSV-NRFANRHFSA-N 380.488 2.962 0 1 GFAF Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c2ccccc2n1 195477420 QBQHUVDMGOWVFY-NSMLZSOPSA-N 375.428 2.679 0 1 GFAF COC(=O)CC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 199228741 CNLZLPCEMCSOMY-SFHVURJKSA-N 375.446 2.537 0 3 GFAF CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1 95560682 YJSPJSQJMSUAFL-UHFFFAOYSA-N 387.480 2.765 0 1 GFAF O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CC1 653841665 RTLVFTLHWCSMKT-UHFFFAOYSA-N 393.422 2.685 0 1 GFAF CN(Cc1nc2cc3c(cc2[nH]1)OCCO3)S(=O)(=O)c1ccc(Cl)cc1 586928622 GHFSESQFJQYRLS-UHFFFAOYSA-N 393.852 2.808 0 1 GFAF CCOC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]n1 587592877 IAWINVYQYDONOL-APWZRJJASA-N 380.356 2.995 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CCC(O)CC1 587237584 UXUJTPKXANUEHP-UHFFFAOYSA-N 387.440 2.800 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005896 YLNPNCDJVSSWSW-UHFFFAOYSA-N 387.646 2.688 0 1 GFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(CN4CCOCC4)cc3[nH]1)C2 587246601 HPRLXQGPCFMVMI-QHCPKHFHSA-N 392.503 2.747 0 1 GFAF Cc1c(O)ccc2c1[C@@](C)([C@@H](NC(=O)c1ccccc1)C(C)C)N[C@H](C(=O)O)C2 963510381 QHBHZLWGZCPQDK-NYDSKATKSA-N 396.487 2.969 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@]1(C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)NCC2 962924189 NTTYPBZTJVLHAS-KNKQGSTJSA-N 382.508 2.755 0 1 GFAF COc1cc(C(=O)c2c(O)cc(O)c(C(=O)C(C)C)c2O)cc(OC)c1OC 1772654335 UNDWIIODGHHBCS-UHFFFAOYSA-N 390.388 2.899 0 1 GFAF CCn1ccnc1[C@@H]1C[C@H]2CN(Cc3ccccc3OC)C(=O)[C@]23CCCN13 12316596 WZWVEMIXYYNROS-SPEDKVCISA-N 380.492 2.850 0 3 GFAF O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1NCc1cccnc1 13118161 ZNFUSHNZKCNOBJ-BZUPMSHVSA-N 389.411 2.703 0 1 GFAF CCOC(=O)CN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@H]1C 13816369 FUPAQXIAYSURIA-VFVAKGGASA-N 386.370 2.929 0 3 GFAF CCCn1c(=O)c2[nH]c(/C=C/c3cc(OC)cc(OC)c3)nc2n(CCC)c1=O 13827007 IFYQMQURNXKFLL-BQYQJAHWSA-N 398.463 2.894 0 1 GFAF Cc1nc(C(=O)N[C@H](C)C(=O)NCc2ccncc2)cc2c1[nH]c1ccccc12 15968768 LJEQISVTUXQRMT-CQSZACIVSA-N 387.443 2.854 0 1 GFAF biogenic CN(C)CCOc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 169726096 UWCXUAJDHXYHCN-ZWKOTPCHSA-N 379.485 2.858 0 1 GFAF O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc(CO)s1)N(c1ncccn1)C2 1857759037 CFQKAHULWFJAGF-GOSISDBHSA-N 376.441 2.982 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](Cc4occc4[C@]3(C)O)[C@]12C 2356411623 USEOLSCIUKXXRY-FXDHADADSA-N 392.492 2.529 0 1 GFAF C[C@H](NC(=O)CCCc1nnc2n(C)c(=O)c3sccc3n12)c1ccccc1 6868334 GDFKLZMHROONIC-ZDUSSCGKSA-N 395.488 2.843 0 3 GFAF COc1ccc([C@]23OC[C@@H](Cc4cc(OC)c(OC)cc42)[C@@H]3CO)cc1OC 102961623 CIQMFHJWBNOVQL-UVQUFPMPSA-N 386.444 2.776 0 1 GFAF C[C@@H]([C@@H](O)c1ccc2c(c1)CNC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 28952080 LIIMZDKZANZWFU-VBKZILBWSA-N 399.466 2.866 0 1 GFAF O=C1OC[C@@H](Cc2ccc3c(c2)OCCO3)[C@H]1Cc1ccc2c(c1)OCCO2 2356291222 OJMUIANQXJLYDP-IAGOWNOFSA-N 382.412 2.803 0 1 GFAF CC=C1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356614491 WYNQUOUUSJZYJJ-BQFCYCMXSA-N 384.476 2.823 0 1 GFAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)c1ccco1 2356827289 HPFQUDSAXOSSGU-GIVPXCGWSA-N 379.504 2.778 0 1 GFAF c1cnc(C[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)nc1 199424271 VWFRJWNGDFPZBI-QGZVFWFLSA-N 390.491 2.716 0 1 GFAF C[C@H]1/C(=C/C(=O)N(C)CCO)CC[C@@H]2[C@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 238757418 KDNBPNSKQKVOSU-QAXWOQAWSA-N 391.552 2.802 0 1 GFAF NS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587608463 QVAVPJAOLFCXHP-PXNSSMCTSA-N 397.408 2.743 0 1 GFAF CN(CCO)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587567938 AWEOWSXPGFOKBM-DENIHFKCSA-N 392.411 2.919 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H](CN[C@H]3C(=O)O)C2)N1 587791612 GPOVAWLADAJRKW-VNYKRWIESA-N 397.288 2.790 0 1 GFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587193493 BQHDJKAFPKJQFB-DZGCQCFKSA-N 376.461 2.804 0 1 GFAF C=CN1CC[C@@H]([C@@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587437543 JMEUHMIGTVXREW-DRSNIGMVSA-N 376.412 2.725 0 1 GFAF CCCCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O 103185918 DPCYMSIIVSZILS-WMZOPIPTSA-N 398.891 2.842 0 1 GFAF O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccccc2)[C@H]1C(=O)c1cccs1 100278390 LYXXKCLCFLXWRE-ZWKOTPCHSA-N 393.468 2.986 0 1 GFAF O=C(O)CCC(=O)N[C@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 26571602 JMXUCPBUINCOSV-RBUKOAKNSA-N 383.444 2.912 0 1 GFAF COc1ccc(-c2cnc3nc(N)nc(N4CCC(C)CC4)c3n2)cc1OC 66260228 WLKMWPJQTTWACT-UHFFFAOYSA-N 380.452 2.923 0 1 GFAF CO[C@@H]1C[C@](C)(NC(=O)c2ccccc2)[C@@](O)(C(=O)c2ccccc2)[C@@H](C)O1 2356699377 QATRQQPVLUNGNR-VPPRVIDZSA-N 383.444 2.570 0 1 GFAF CC(C)(O)[C@H]1Cc2cc(C[C@@H]3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1 2356789586 DLXKJAGJQUQBCR-ZWKOTPCHSA-N 382.412 2.904 0 1 GFAF COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(C3=CCCC3)cc21 219022286 DPNPROJIWHGNIQ-SJLPKXTDSA-N 398.551 2.582 0 1 GFAF C/C(=C\CSCCC(=O)O)CCn1cc(CCO[C@H]2CCCCO2)nn1 84724275 QVOXNUIXSYHXAX-APSGNOSNSA-N 383.514 2.908 0 1 GFAF Cc1ccccc1C(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N 95921159 MVVLOKWZBCMJJG-UHFFFAOYSA-N 388.474 2.656 0 1 GFAF in-vitro COC1CCC2(CC1)Cc1ccc(-c3cnccn3)cc1[C@]21N=C(N)N(C)O1 140511425 APYZHABPRFFPDY-VYHPPPRESA-N 379.464 2.620 0 1 GFAF C[C@@H]1[C@@H](NC(=O)c2ccc3c(=O)n(C[C@H]4CCCO4)c(O)nc3c2)CCC[C@H]1C 253619806 JGUMGGFTYRSCNL-KKBFJZEXSA-N 399.491 2.836 0 3 GFAF COc1cc(CNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc(OC)c1 263590913 FBBRBRJQXWOOHF-ZWQIFLOQSA-N 388.464 2.720 0 3 GFAF COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C[C@H]1C(=O)OC[C@@H]1C2)OCO3 35457320 RZBGXSDXJKJJPX-DZGCQCFKSA-N 398.411 2.996 0 1 GFAF biogenic Nc1ccc(-c2ccc3nc(CSc4nc(O)cc(O)n4)[nH]c3c2)cc1N 586966544 HYXQAPDDKBENTP-UHFFFAOYSA-N 380.433 2.888 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(N)(=O)=O)cc2)N1 587840878 NOXMEJUHMPYDAJ-ABKXIKBNSA-N 399.285 2.859 0 1 GFAF CC(=O)n1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1=O 587795592 RDUDWEOTPBYADU-CQLKUDPESA-N 396.260 2.844 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@@H](F)C(=O)OCC)CC2=O 587464106 INQCAYSLDGEATI-LPHOPBHVSA-N 382.384 2.513 0 1 GFAF CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CN2NC=NC2=N1 587793828 LMFXPNLUTCJPJO-VVVCHXIZSA-N 392.276 2.830 0 1 GFAF Oc1nc(NCc2ccccc2)c2nc(Cc3csc4nccn34)nc-2[nH]1 587040403 KWLHYRXKRKLLBG-UHFFFAOYSA-N 377.433 2.922 0 1 GFAF Cc1sc2c(c1C)CCN[C@@]2(C)Cn1c2c(c(=O)n3ncnc13)CCCC2 963032627 UQLNBGVIVHHKIG-FQEVSTJZSA-N 383.521 2.509 0 1 GFAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC(C)(C)O2 5070069 VOHRLHXXIJIXNU-XYJFISCASA-N 376.497 2.558 0 1 GFAF COc1ccc2cccc(CCNC(=O)C3CN(C(=O)c4ccco4)C3)c2c1 169351175 XDFILMNSODWMEH-UHFFFAOYSA-N 378.428 2.872 0 1 GFAF O=C(O)CCC1=CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 165576216 HTUHVPVHRIFBLU-DCFAJTMGSA-N 388.460 2.560 0 1 GFAF C[C@@H](N)[C@@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113653140 WPAYADJKYDLWGP-CHWSQXEVSA-N 384.871 2.809 0 1 GFAF O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCCCC1 20418859 RJKGVFSMGOUWQC-UHFFFAOYSA-N 387.524 2.504 0 3 GFAF aggregator C[C@@]1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CCN1CCc1ccccc1 61926072 ANASPOYPQARBJZ-FQEVSTJZSA-N 387.505 2.704 0 3 GFAF CONC(=N)c1ccc(-c2cnc(-c3ccc(C(=N)NOC)cc3)nc2)cc1 36476207 QRECYEDQUSLIJO-UHFFFAOYSA-N 376.420 2.763 0 1 GFAF CC[C@]12CN3CCc4c([nH]c5cccc(OC)c45)C3=CC1=C(C(=O)OC)C(=O)O2 14594502 DZKORSWHZPDFEP-QFIPXVFZSA-N 394.427 2.564 0 1 GFAF biogenic COC(=O)Nc1nc2ccc([C@]3(O)c4ccccc4C(=O)N3CC3CC3)cc2[nH]1 225077866 YMQPILNOMZNRKU-NRFANRHFSA-N 392.415 2.800 0 1 GFAF CN(C)C(=O)[C@H](Cc1ccccn1)CN1CCC2(CC1)OCCc1ccsc12 84672552 FCFFIEPLNCDDSF-GOSISDBHSA-N 399.560 2.954 0 1 GFAF COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)CC2)cc1 195328798 YSUCNGMRMPFCKW-YXHUNLIVSA-N 394.471 3.000 0 1 GFAF [O-][n+]1nc2c(I)cnn2c2cc(-c3ccccc3)ccc21 43073738 WALAJLWVMSBZTF-UHFFFAOYSA-N 388.168 2.788 0 1 GFAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3cccnc3)C2)N1Cc1cccnc1 95794803 AGIOQIWHECOMNN-DHIUTWEWSA-N 386.499 2.692 0 1 GFAF COc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2 299861759 ISWJFEIVAVPCDJ-UHFFFAOYSA-N 386.404 2.519 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(CO)ccc3F)[nH]c2c1 587140465 KZXYYVHCOZILHH-UHFFFAOYSA-N 377.441 2.892 0 1 GFAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586984606 TVJWOYBUWIWLEA-NSHDSACASA-N 387.237 2.899 0 1 GFAF CN(C)c1cc(Br)cnc1[C@@H]1NCCc2c(C(=O)O)cccc21 963130607 KYAPFGGECDEHCH-OAHLLOKOSA-N 376.254 2.843 0 1 GFAF O=S1(=O)[C@@H](F)CCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 223905490 VJTPPACOCPLBBX-AUUYWEPGSA-N 376.453 2.877 0 1 GFAF COc1ccc(-c2c(C(N)=O)c3n(c2C)CCN(C(=O)NC(C)(C)C)C3)cc1 1772600516 IEDDPQNUUDQBOZ-UHFFFAOYSA-N 384.480 2.895 0 1 GFAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1ccc(OC)cc1 1772616796 AQUDGCFWGAYAGQ-KAWYEUNPSA-N 381.428 2.850 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(COC[C@@H](C)O)c12 1772583511 RQBZUNQCFJQOCH-CHWSQXEVSA-N 399.451 2.747 0 1 GFAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(Cl)cc2s1 1772585881 FAGZXLHYWINXJS-ZDUSSCGKSA-N 392.868 2.896 0 1 GFAF CC[C@H](NC(=O)[C@H](CC)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O 169701566 VXYUSBYRYYLNHT-PMACEKPBSA-N 395.503 2.561 0 1 GFAF CNCCNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cc(Cl)ccc1C 203540091 NKTCWCPLTZQABU-UHFFFAOYSA-N 384.871 2.632 0 1 GFAF C[C@@H]1COCCN1c1nc(C2CCOCC2)nc2sc(-c3cc[nH]n3)nc12 1857544024 YXTNXHPNQNJMOX-LLVKDONJSA-N 386.481 2.596 0 1 GFAF CCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1ccc(F)cc1)CC2 1857578890 XTURJXOXGKVPSY-UHFFFAOYSA-N 393.462 2.776 0 1 GFAF COc1cc(O)c(C(N)=O)c2oc(C(=O)N(C)Cc3cccc(F)c3)c(C)c12 1857766725 KUUBTVQOIWWNGR-UHFFFAOYSA-N 386.379 2.966 0 1 GFAF CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCO 4054912 MSGGVNBZGSUEPZ-IEBWSBKVSA-N 388.851 2.939 0 1 GFAF Cc1cc(-c2ccc(=O)n(C)c2)cc2cnc(N3CCN(C(C)C)CC3)nc12 1911574648 LZUPDJNPISWJJF-UHFFFAOYSA-N 377.492 2.834 0 1 GFAF CCOc1cc([C@H]2[C@@H]3C(=O)CCCC3=Nc3nc(C(=O)OC)nn32)ccc1OC 8672164 CCCOBMJSQRJWQA-IRXDYDNUSA-N 398.419 2.517 0 1 GFAF CCCSc1nc(NC)ncc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101550215 FZJGLFGFJINUAX-QFRVGLRRSA-N 376.526 2.690 0 1 GFAF Cc1ccc(S(=O)(=O)N(C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 26275801 OODDKXULXWMYDF-UHFFFAOYSA-N 390.486 2.662 0 1 GFAF COc1cc(C2=NN(C(N)=S)[C@H](c3ccccc3)C2)ccc1OCC(=O)O 28713510 BBGKFSGYESCPOE-HNNXBMFYSA-N 385.445 2.553 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(CCCc3ccccc3)C2=O)cn1 115732928 ZHWBCZBJTROKMX-UHFFFAOYSA-N 393.447 2.938 0 1 GFAF COc1ccc2c(c1)OC[C@H]1[C@@H]2N2C(=O)[C@@H](C)NC(=O)[C@@]2(C)[C@H]1c1ccccc1 61949432 OOJQSDAVSZGWDX-PQYCZKCXSA-N 392.455 2.648 0 3 GFAF CN(Cc1ccccc1)C(=O)c1ncn(C)c1C(=O)N(C)Cc1ccccc1 36388224 JCQCIPFXFRTYFH-UHFFFAOYSA-N 376.460 2.965 0 3 GFAF O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)CN1CCC(c2ccccc2)CC1 43178847 ZIOARXINFVOVJJ-NRFANRHFSA-N 389.499 2.735 0 1 GFAF NC(=O)c1ccc(N[C@H]2CNC[C@@H]2c2cc(F)cc(Cl)c2)c2cncnc12 143768983 ARDCHIOWMUVWOX-PBHICJAKSA-N 385.830 2.689 0 1 GFAF C[C@@H](c1ccccc1)N1C(=O)[C@H]2CN(C(=O)c3cccc(F)c3)CCN2C1=O 25433838 LXCTXOCCOXCVMY-KBXCAEBGSA-N 381.407 2.676 0 1 GFAF biogenic CCOc1ccccc1[C@](N)(c1nc2ccc(C(=O)OC)nc2[nH]1)C(F)(F)F 587092840 NWQMZKGAUQBIIG-KRWDZBQOSA-N 394.353 2.908 0 1 GFAF CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517273 KEEHPHFDMMTJSI-JTSKRJEESA-N 385.460 2.699 0 1 GFAF CCOC(=O)[C@@]1(c2nc3ccccc3n2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431739 QURFLZDLKIYMAL-JLCFBVMHSA-N 392.411 2.788 0 1 GFAF CCS(=O)(=O)N1CCC(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CC1 587875791 MWNMKWLUCNKLQT-UHFFFAOYSA-N 379.413 2.497 0 1 GFAF Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@@H](O)CNC(C)C 13555950 VZPAOCHCLZMTIZ-FQEVSTJZSA-N 393.487 2.537 0 1 GFAF COc1cc2c(cc1OC)CN(CCNCC(=O)Nc1cccc(C)c1)CC2 169702806 RRABHPIWFITVOA-UHFFFAOYSA-N 383.492 2.599 0 1 GFAF C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F 169702977 NVOQNXJHOVMVBJ-ZWKOTPCHSA-N 378.354 2.900 0 1 GFAF Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)ccc1=O 169708465 BLDFPKAMXFBXMA-MOFZMDFASA-N 391.443 2.698 0 1 GFAF N=C(CCc1ccccc1)[PH](O)(O)C[C@@H](Cc1ccc(O)cc1)C(=O)O 169717697 JLRBCNHNSXOTCP-MRXNPFEDSA-N 377.377 2.810 0 1 GFAF Brc1cnc(NC2CCNCC2)nc1Nc1cc(C2CC2)[nH]n1 203005367 NYKGPOBVQCGNKS-UHFFFAOYSA-N 378.278 2.747 0 1 GFAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H]([C@H]1CC=CCC1)NCC3 209529265 BWTDWMAKXZWFIU-MAUKXSAKSA-N 390.487 2.706 0 1 GFAF COc1nc(Nc2ccc(C(=O)N(C)C)cc2)ncc1-c1ccc(C(N)=O)s1 1857756009 LAQMJKRDLPRILL-UHFFFAOYSA-N 397.460 2.758 0 1 GFAF Cc1cc(Nc2n[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)ccc1F 1911584487 YJBYJELENXSGOL-UHFFFAOYSA-N 390.440 2.775 0 1 GFAF O=C(NC[C@@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1ccccn1 2356299457 HMAHOVOWXCXEQP-GFCCVEGCSA-N 376.338 2.951 0 1 GFAF CCN[C@H](C)[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 28005425 HCWOOSMOKYXEKA-CHWSQXEVSA-N 387.455 2.998 0 1 GFAF CO[C@@H]1[C@H](OC)[C@@H](OCc2ccccc2)[C@H](OCC(=O)O)O[C@@H]1CCC(C)C 27648377 VAEAPLDXQLTUQK-OBJCFNGXSA-N 396.480 2.864 0 1 GFAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cc(N3CCNCC3)ccc12 64436953 QZLYHSLVARKEML-UHFFFAOYSA-N 392.484 2.959 0 1 GFAF COc1cc2cc(CCCOC(=O)CCCC(=O)O)oc(=O)c2cc1OC 36388718 JSIQKSPIUANQPR-UHFFFAOYSA-N 378.377 2.541 0 3 GFAF O=C1C[C@H](c2ccccc2)NCC[C@H]2CN(CCCN1)C(=O)c1ccccc12 5552628 YLOOKVSZLSAFTR-GHTZIAJQSA-N 377.488 2.857 0 1 GFAF biogenic CCc1nn(CCO)c(NS(C)(=O)=O)c1Cc1cc(Cl)cc(Cl)c1 45261755 KVNSVXUHXFOGEH-UHFFFAOYSA-N 392.308 2.707 0 1 GFAF CO[C@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@@]21C)OC(=O)[C@@H]3C 257554929 ULNGGZOBSDELFB-CHUFXVFFSA-N 396.505 2.904 0 1 GFAF endogenous,in-man CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@@H](C)O 255234721 MJYRTXCQTAXNAH-FPJWXNKQSA-N 394.552 2.899 0 1 GFAF O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@H]([C@H]53)N2Cc1cccc(I)c1 261083114 CAYMCWKKHULDBH-GBGAKDAYSA-N 391.252 2.552 0 1 GFAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccc1OCC(=O)NC(C)C 587223824 NUIKUBVOBIXVBW-UHFFFAOYSA-N 383.404 2.871 0 1 GFAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)CCCC(=O)O)CC1)CC2=O 587475135 JOTPREXIWVJLCG-UHFFFAOYSA-N 389.448 2.926 0 1 GFAF CCOC(=O)[C@H]1Cc2c(nc(C)n2C)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587391435 RLIMDGDIJGRPBN-YEJXKQKISA-N 383.448 2.605 0 1 GFAF CNC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F 1772598617 QPYISJMTYHPQCR-HOCLYGCPSA-N 386.423 2.686 0 1 GFAF C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)c1cnn(C)c1 166830352 UVMKMTIJWRYXBV-AWEZNQCLSA-N 390.447 2.854 0 1 GFAF O=C(NCc1ccncc1)c1csc(CCNCc2nc3ccccc3[nH]2)n1 1857573195 NAAWEBGUQJXMTG-UHFFFAOYSA-N 392.488 2.677 0 1 GFAF COc1cc2c(c(OC)c1)C[C@@H]1c3cc4c(cc3C[C@H](C(=O)O)N1C2)OCO4 1857605396 ILXIEWBFOCVCTR-IAGOWNOFSA-N 383.400 2.541 0 1 GFAF CCc1ccc(C(=O)c2[nH]c3ccccc3c2C[C@@H]2NC(=O)CN(C)C2=O)s1 1857656447 CWNGSLLHOQZJDJ-INIZCTEOSA-N 395.484 2.522 0 1 GFAF CC(C)NCc1cc2cc3c(cc2n1C)COCc1c-3nc(O)c(C(=O)O)c1O 1857762207 ILWIMWJGQZSTJG-UHFFFAOYSA-N 397.431 2.878 0 1 GFAF COC(=O)Nc1nc2ccc(C(=O)c3ccc(N(C)C4COC4)cc3)cc2[nH]1 1857772846 MAIZRPXCWJSCMS-UHFFFAOYSA-N 380.404 2.807 0 1 GFAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)C1CC1 148600377 XVSHSUVVARAXIA-HNNXBMFYSA-N 394.443 2.858 0 1 GFAF CCN(CCN(C)C)c1ccc2nc3n(c(=O)c2c1)-c1ccc(Cl)cc1C3=O 3597639 AKVWOSPIZIEWAT-UHFFFAOYSA-N 396.878 2.971 0 1 GFAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4038956 SSFJQRCRWPWGQK-DYXWJJEUSA-N 381.476 2.732 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(CN3CCN(C)CC3)cc1)C2 28334630 OBFMYCZUKGNJGW-JOCHJYFZSA-N 396.487 2.638 0 1 GFAF COC(=O)c1sccc1NC(=O)Cn1ncc2c3ccccc3nc-2c1O 103536021 KHLUQAZASZFXBY-UHFFFAOYSA-N 382.401 2.729 0 1 GFAF CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c1 64957615 PVPUQPLBODEJKO-UHFFFAOYSA-N 394.472 2.643 0 1 GFAF CN1C(C(=O)Nc2ccccn2)=C(O)c2ccc3ccccc3c2S1(=O)=O 28015274 LBTLWAUCZKENCZ-UHFFFAOYSA-N 381.413 2.734 0 1 GFAF O=C(C=CCCCC[C@H](O)[C@H](O)c1ccc2c(c1)OCO2)N1CCCCC1 2356756338 UEJKTNXAIXCFSD-LAUBAEHRSA-N 375.465 2.939 0 1 GFAF CC(=O)OCCCCCCCCCC[C@H](C(=O)O)[C@@]1(C(=O)O)CCC(=O)O1 2356792153 JJSYSSRCBRHORK-DNVCBOLYSA-N 386.441 2.922 0 1 GFAF CC[C@@H]1CN2C[C@]3(C[C@@H]2C[C@@H]1C(=COC)C(=O)OC)C(=O)Nc1ccccc13 2356828367 IFWPFGIHYPPJOP-YDGQEPMXSA-N 384.476 2.700 0 1 GFAF COc1ccc(C(=O)NN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1 39219487 MYHIRMSPCNUGPI-UHFFFAOYSA-N 378.476 2.682 0 1 GFAF CC[C@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82228004 HNZCBZKDUQEOEI-NSHDSACASA-N 397.262 2.528 0 1 GFAF CC(C)c1ccc(NC(=O)[C@H]2CCOC2)c(N2CCN(c3cnccn3)CC2)c1 84632678 NICWJNJIKSAVEC-SFHVURJKSA-N 395.507 2.902 0 1 GFAF CCC(=O)N(CC)C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O 95895304 FDMJCTSKHMEBMC-FUPPJEDESA-N 395.503 2.682 0 1 GFAF Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1 95592890 CYZXKUBMNCJQGD-UHFFFAOYSA-N 396.468 2.992 0 1 GFAF CO[C@@H]1[C@]2(C)[C@H](CC[C@H](OC(=O)/C=C/SC)[C@@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 257554931 ULNGGZOBSDELFB-JPYJRFRFSA-N 396.505 2.904 0 1 GFAF endogenous,in-man CCn1cc(Br)c(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 587000729 PVWSYJZCIOOIAH-UHFFFAOYSA-N 375.152 2.893 0 1 GFAF O=C1C[C@H](c2cnn([C@@H]3CCS(=O)(=O)C3)c2)Oc2c1ccc1c2CCCC1 587529565 ADXHYVLPVVWQOZ-DNVCBOLYSA-N 386.473 2.828 0 1 GFAF COC(=O)C[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586609 IXTJOEXWXNPZRN-GHTZIAJQSA-N 392.367 2.602 0 1 GFAF CN(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)S(=O)(=O)c1cccnc1 586928614 FYOKVYJKWIGIGM-UHFFFAOYSA-N 388.346 2.937 0 1 GFAF COC(=O)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347975 VXOIZZHZXHSIKA-FQEVSTJZSA-N 399.418 2.898 0 1 GFAF NC(=O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586952410 CSXVDOQJLBUIIB-UHFFFAOYSA-N 399.457 2.586 0 1 GFAF COC(=O)c1ccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2n1 586970577 MMFHHCRTJNPRFD-UHFFFAOYSA-N 384.461 2.967 0 1 GFAF COc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)nc1Br 963016050 BXUQBKOEPURPGP-BTDLBPIBSA-N 388.265 2.995 0 1 GFAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)ccc3nc2-1 13556274 VJSCOIPYUQHYDB-OAQYLSRUSA-N 380.375 2.609 0 1 GFAF CC[C@@H](C)[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O 15955604 QLTMYRPBRYJFFD-CWTRNNRKSA-N 383.400 2.941 0 1 GFAF biogenic O=C(C[C@H]1C/C=C\CCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1 169359766 XOSBLLGXOWRWPW-SSCKWRJFSA-N 392.883 2.752 0 1 GFAF CCn1cc(-c2cc3c(-c4ccc(C)c(N5CCNCC5)n4)n[nH]c3cn2)cn1 205243952 XMTRMCWKMSOGQR-UHFFFAOYSA-N 388.479 2.621 0 1 GFAF N#CN1CCC[C@](F)(C(=O)Nc2cn(-c3cccc(OC(F)(F)F)c3)cn2)C1 1857548887 QATOLZMHKPMCNA-MRXNPFEDSA-N 397.332 2.995 0 1 GFAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@H]1c1ccc(Cl)cc1 1857569642 OEXNYRJYLLYHOY-KRWDZBQOSA-N 393.852 2.620 0 1 GFAF Cc1nc2c(F)cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2o1 148017042 ODTRIHIKMZAFAA-UHFFFAOYSA-N 393.422 2.702 0 1 GFAF O=C(c1ccco1)N(C1CCN(CCc2ccccc2)CC1)N1CCOCC1 27740287 RITQNVZKCFJBOP-UHFFFAOYSA-N 383.492 2.676 0 1 GFAF CC[C@@H]1C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(CC(=O)O)cc1 27630601 FSGZUUBFTYAIOW-XLIONFOSSA-N 382.416 2.797 0 1 GFAF Cc1ncc(-c2cnn3c(N)c(Br)c([C@H]4CCCNC4)nc23)s1 66100796 UHWJFOMTKXVUFY-VIFPVBQESA-N 393.314 2.973 0 1 GFAF COc1ccc(OC[C@H](O)CN2CCN(c3ccccc3C)CC2)c(C(C)=O)c1 28634860 CAQSWUZBWKAERC-LJQANCHMSA-N 398.503 2.768 0 1 GFAF CC1=C[C@@H]2C=CCC[C@H](O)C(=O)CCC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]3[C@H]1C 2356785437 AEWVHSHRWIXYAA-NYIVTQISSA-N 387.520 2.975 0 1 GFAF CC(=O)OC[C@@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@]4(O)CO 70455267 XAWLPRCYLCCVFP-BCBLRFMSSA-N 394.508 2.751 0 1 GFAF biogenic,in-vitro CC(C)C[C@@H]1Oc2ccc(-c3cncnc3)cc2[C@]2(COC(N)=N2)C12COC2 220716309 QQPOTGIGKATGCB-GHTZIAJQSA-N 380.448 2.508 0 1 GFAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OC[C@H]3CCCN3C)co2)cc1 82073424 LOWZKAPBRKLCLE-MJGOQNOKSA-N 397.475 2.892 0 1 GFAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCCc1ccccn1 82203576 VMICDJDRUZBVQU-UHFFFAOYSA-N 375.480 2.556 0 1 GFAF NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1cccc(Cl)c1 144125786 LXXXODWLGXFFAC-VOTSOKGWSA-N 390.845 2.539 0 1 GFAF COc1ccc2c(c1)[C@H]1NC(=S)N[C@](C)(O2)[C@H]1C(=O)Nc1ccccc1C 141301959 OMEBMIFLGJRKPD-MBOZVWFJSA-N 383.473 2.886 0 1 GFAF C[C@H]1CO[C@]2(C)Oc3c(c(O)c(C(=O)O)c4c3C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12 96901087 OCZCUQWPKGDVGD-QQHFBSGMSA-N 390.432 2.958 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(C(=O)O)cn2)N1 587774581 WRSPHGYIGLIQQK-PWJLMRLQSA-N 380.217 2.874 0 1 GFAF COc1cc(Br)cc(C=O)c1OCc1nc2cc[nH]c(=N)c2[nH]1 586979916 GDYZEOBQIDPEEO-UHFFFAOYSA-N 377.198 2.533 0 1 GFAF CSc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 586942083 GPAUWWITZCCKCT-UHFFFAOYSA-N 382.898 2.854 0 1 GFAF C[C@@H](Cn1cncn1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923602 ABSXHIGMZVWQJO-LBPRGKRZSA-N 377.495 2.601 0 1 GFAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2ccncc2)(c2ccccn2)N1 963222184 KMJCFJMTLOZVPI-NFBKMPQASA-N 382.423 2.916 0 1 GFAF CC(=O)OC[C@@]1(c2ccc(Cl)cn2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963038612 WTICEYGPDNGUKE-ZUOKHONESA-N 385.851 2.595 0 1 GFAF CCOC(=O)C[C@]1(C(=O)OCC)c2ccsc2CCN1Cc1cccnc1 962997100 QNEBUGNFUAZYLF-HXUWFJFHSA-N 388.489 2.913 0 1 GFAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963228885 OMZFYHZODBMLBK-LKNMKHRSSA-N 383.448 2.668 0 1 GFAF O=C(N[C@H]1CCOc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 1772610502 LJJNVLRAHSNYBH-KRWDZBQOSA-N 377.400 2.785 0 1 GFAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)N(C)C)CC3)c2)c1 1772652142 UZWGJAYUKGACJY-UHFFFAOYSA-N 380.492 2.943 0 1 GFAF CN1C(=O)[C@@H](NC(=O)c2cc(CC3CCCCC3)on2)COc2ccccc21 1772620134 DSXDWWSCVQGTED-KRWDZBQOSA-N 383.448 2.951 0 1 GFAF Cc1ccc(SC[C@H](CF)O[C@@H](C)n2cnc3c(=O)[nH]c(N)nc32)cc1 1855794 QOGHWQPMXJWPAI-RYUDHWBXSA-N 377.445 2.676 0 1 GFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H](CN[C@@H]2CC[C@H](O)C23CCCC3)[C@]2(O)C[N@@]12 2356350993 NUMWSXMRYHYCEL-RFMPSSHGSA-N 398.547 2.669 0 1 GFAF Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc4c(cc32)OCO4)cc1 28120557 RIPUIEGVRLGBBX-UHFFFAOYSA-N 397.456 2.566 0 1 GFAF CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@@H]32 14719380 QRYQVCQRVMGDEO-FKBYEOEOSA-N 382.460 2.935 0 1 GFAF biogenic,in-vitro CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OC(CO)CO 95572417 MGHSOWWWUOCVJJ-UHFFFAOYSA-N 392.835 2.625 0 1 GFAF CCCNC(=O)N1[C@H](CNC(C)=O)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO 95895799 LLORUJGLHNUMBM-HKBOAZHASA-N 385.508 2.638 0 1 GFAF O=C(O)C1C[C@H]2COC[C@@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611486 RVMGYTIGRITBRE-AKOFQBSRSA-N 396.395 2.850 0 1 GFAF CCOC(=O)Cc1ccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 587232276 VNCJGPGQTLUUSJ-JKSUJKDBSA-N 387.480 2.705 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1-c1cnn(CCOC)c(=O)c1Cl 587871534 YQKXKFLSSIPHKN-UHFFFAOYSA-N 392.818 2.934 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006594 IQTPVNVMTQCFLU-UHFFFAOYSA-N 392.238 2.516 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@H](C)C(=O)OCC)CC2=O 587476844 AZYMELCGKRYVTH-ODXCJYRJSA-N 378.421 2.811 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586945093 VRXZCTKGFJSZPQ-UHFFFAOYSA-N 375.237 2.882 0 1 GFAF COc1ccc([C@]2(CC3OCCO3)NCCc3c(C(=O)O)cccc32)c(OC)c1 963119253 DEVZWABHIDNTME-JOCHJYFZSA-N 399.443 2.554 0 1 GFAF CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1-c1ccc(Cl)s1 13818162 WOLVQTMLGKMYNZ-UHFFFAOYSA-N 392.824 2.677 0 1 GFAF CN(C)[C@@H](C1=C(O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1 19328756 MQHUSMJMGDZPKD-IFMALSPDSA-N 393.487 2.807 0 1 GFAF CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cs1 169342119 HLZOPYLGLSPNKN-UHFFFAOYSA-N 383.520 2.506 0 1 GFAF O=C1NC[C@H](CC2CCCCC2)C(=O)[C@@H]1C(=O)Nc1ccc(-n2ccnc2)cc1 169727277 ODEXRFIYCPSBSB-LPHOPBHVSA-N 394.475 2.713 0 1 GFAF Cc1ccccc1[C@@H]1C[C@H](O)[C@H](O)[C@H]1NC(=O)c1c(-c2ccccc2)noc1C 2356286590 HGBSYHMFUVHHTB-GPHNJDIKSA-N 392.455 2.966 0 1 GFAF COCCCN(Cc1ccco1)C(=O)Cc1nc(-c2ccc(OC)cc2)no1 20921565 VCFONZDABMYIHX-UHFFFAOYSA-N 385.420 2.946 0 1 GFAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C 53312651 XNFJXAXHQOTCBS-JOCHJYFZSA-N 376.412 2.778 0 1 GFAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(S(C)(=O)=O)nc32)cc1 28877763 GJADMFJZDYSIRX-UHFFFAOYSA-N 384.417 2.547 0 1 GFAF C[C@]1(C(=O)NCc2ccccc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61926416 BHGPBLGLANEFKT-HSZRJFAPSA-N 387.439 2.858 0 3 GFAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]([C@H](C)C=C5OC(=O)C(C)=C5OC)[C@@](O)(O3)[C@H]1CCN42 2356480661 LLRUDQNWYFSTOW-CYKUSXJCSA-N 389.492 2.724 0 1 GFAF CN1C[C@@H](NCc2cccc(Cl)c2)CCC[C@H](C(=O)NC2CC2)CC1=O 2356544931 JNHRXOCIWAONRZ-YJBOKZPZSA-N 377.916 2.725 0 1 GFAF CSC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 32139443 OZWYKVLMVOQOIV-DDHJBXDOSA-N 383.684 2.979 0 1 GFAF NCCOc1c(-c2ccc(N3CCOCC3)cc2)[nH]c(=O)c2cc(F)ccc12 149192356 KSTGCHRYORWWOO-UHFFFAOYSA-N 383.423 2.508 0 1 GFAF Cc1cn2ccnc(Nc3ccc(F)c([C@]4(C(F)F)COCC(N)=N4)c3)c2n1 145466890 SVCVFKHLSFFKPD-SFHVURJKSA-N 390.369 2.768 0 1 GFAF COCCNC(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCCN(C)C)c(C)c2C1 25206552 IJNPDCMEQGWZHS-AEFFLSMTSA-N 376.541 2.747 0 1 GFAF biogenic O=C1NN[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)cs2)[C@H]2CCCC[C@H]12 618014360 XDAKOPZCSWNHOZ-YHAQOWFVSA-N 392.431 2.836 0 1 GFAF CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2cc(F)cc(F)c2)CC1 299825458 YJJDDPYPOWWODL-HDJSIYSDSA-N 378.379 2.628 0 1 GFAF NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)cs2)cc1 653836221 LCHORWCOKOCWHG-UHFFFAOYSA-N 390.446 2.976 0 1 GFAF COc1cccc(C(=O)N2Cc3nc(C)nc(-c4cc[nH]n4)c3C[C@@H]2C)c1F 653836259 ZTPMHAVJNPKGFZ-NSHDSACASA-N 381.411 2.910 0 1 GFAF N=c1nc(O)c2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2[nH]1 587138189 BPDKGZQDVVIPCH-UHFFFAOYSA-N 383.314 2.781 0 1 GFAF O=S(=O)(O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586994887 DTPYTAZYZKLOHT-CYBMUJFWSA-N 383.223 2.654 0 1 GFAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)N1C(=O)CCC1=O)[C@@H](C2)C3=O 587440019 XVUGMVQKTCBCGW-SJZFEPBNSA-N 391.423 2.876 0 1 GFAF CC(=O)O[C@H](C[C@]1(C)[C@@H](C)CC=C2[C@H]1CCCC2(C)C)[C@@]1(O)COC(=O)[C@@H]1O 1772618643 QCPWZRPDZHMSDZ-FBIIWJJDSA-N 394.508 2.756 0 1 GFAF Cc1cc([C@H]2CN(C(=O)c3ccc(F)cc3)CC(F)(F)C2)n2ncnc2n1 1772613030 IWFCNIDUKUQMFM-CYBMUJFWSA-N 375.354 2.837 0 1 GFAF O=c1c2c([nH]c3ccccc13)[C@H](c1ccc(CO)s1)N(c1ncccn1)C2 1857759038 CFQKAHULWFJAGF-SFHVURJKSA-N 376.441 2.982 0 1 GFAF O=C(N[C@](Cc1ccccc1)(Cc1ccc(O)cn1)C(=O)O)c1ccccc1 587797 AMLVSFPQUDZDGA-JOCHJYFZSA-N 376.412 2.826 0 1 GFAF COc1cc([C@H](c2ccccc2)N2C(=O)CC[C@H]2C(=O)O)cc(OC)c1OC 6005673 XJWFXGJFQNKXHY-KXBFYZLASA-N 385.416 2.877 0 1 GFAF Cc1c(F)c(N2CC[C@@](C)(CN)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 13649777 ADCCECQEBUHJEO-FQEVSTJZSA-N 391.418 2.796 0 1 GFAF COc1ccc(-n2nnnc2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 25975552 CDOUOAYDUOAYET-FPOVZHCZSA-N 378.480 2.562 0 1 GFAF CCOc1ccccc1-n1c(CN2CCN(C)CC2)nc2ccccc2c1=O 36381359 JTWPBQZMXSQRCM-UHFFFAOYSA-N 378.476 2.532 0 1 GFAF COc1cc2ncnc(N3CCN[C@@H](c4ccc5c(c4)OCO5)C3)c2cc1OC 43193796 XLFCKLVOPQITOU-MRXNPFEDSA-N 394.431 2.527 0 1 GFAF COc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC 66259249 IVTSAABJVIGBFC-UHFFFAOYSA-N 399.403 2.541 0 1 GFAF CCOC(=O)CN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@@H]1C 72135899 FUPAQXIAYSURIA-HNHYXYPQSA-N 386.370 2.929 0 1 GFAF O=C(c1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 95568194 RJOUIUOITMHMDJ-OAUYIBNBSA-N 388.265 2.834 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CCCCC1)C2 95796705 PSCGPEDQCGKLHW-WOJBJXKFSA-N 399.535 2.728 0 1 GFAF CCC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895224 SESYIFBSAZWGOZ-FUDKSRODSA-N 392.499 2.945 0 1 GFAF COc1cc2nc3c(c(N)c2cc1OC)CC[C@H](CNC(=O)c1ccoc1)C3 103218935 URFTYZWWYGFIIW-LBPRGKRZSA-N 381.432 2.962 0 1 GFAF COC1CCC2(CC1)Cc1ccc(OC3CCCC3)cc1[C@@]21N[C@@H](N)N(C)C1=O 146788903 UGAPTSZEDDDGRM-CAGFCTSJSA-N 399.535 2.639 0 1 GFAF COc1ccccc1/C=C1\CNC[C@@H]2[C@H]1NC(=S)N[C@H]2c1ccccc1OC 169308428 LWWIMYKKFBLYLV-VFESNBGYSA-N 395.528 2.894 0 1 GFAF COc1ccccc1Nc1nc(Nc2cc(C)[nH]n2)cc(N2CCN(C)CC2)n1 169312506 CCGKETUGLKHYOH-UHFFFAOYSA-N 394.483 2.756 0 1 GFAF O=C1c2ccccc2C(=O)N1CCCNC1CCN(Cc2ccc(O)cc2)CC1 299858281 DNYWYCCLRXNZRJ-UHFFFAOYSA-N 393.487 2.633 0 1 GFAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586949825 BPHPIZFJLSRGPP-UHFFFAOYSA-N 381.360 2.847 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)cnc1N)O2 587385369 CSXCDXSBOAWFBI-CYBMUJFWSA-N 395.200 2.866 0 1 GFAF COC(=O)c1cccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c1 587650600 OSBNVASZHRTRMX-UHFFFAOYSA-N 386.429 2.919 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(N)=O)n(C)c2)N1 587749265 DEPQBOKYRGTDBV-VVVCHXIZSA-N 380.261 2.823 0 1 GFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccncc2)(c2ccccn2)N1 963222192 KMJCFJMTLOZVPI-NZQKXSOJSA-N 382.423 2.916 0 1 GFAF Cc1cc2c(cc1O)[C@H](c1cnn(Cc3ccc(F)cc3)c1)N[C@H](C(=O)O)C2 963494115 XIIHNAIFUHKQQH-ICSRJNTNSA-N 381.407 2.773 0 1 GFAF O=C(O)CCc1c(C(=O)O)[nH]c2cc(F)cc(I)c12 1857644107 OQMALOIQUZKXQZ-UHFFFAOYSA-N 377.109 2.627 0 1 GFAF NCc1ccc(-c2ccc(N3C[C@H](CNC(=O)C(F)F)OC3=O)cc2F)cc1 1857754799 PVBAGQOFMLWRMX-AWEZNQCLSA-N 393.365 2.658 0 1 GFAF CCN(CC)CC[C@@H]1CN(C(=O)COc2ccccc2)CC[C@@H]1CC(=O)O 2356840385 MQHUDIXXEICHEC-QZTJIDSGSA-N 376.497 2.737 0 1 GFAF CCCC[C@H](O)[C@@H](O)C=CC=C(CCCCCCCC(=O)O)C[C@@H](O)CO 2356499143 VNDAARHBSHHHLS-AABGKKOBSA-N 386.529 2.940 0 1 GFAF CC[C@]12CCCN3CCc4c(n(c5c(OC)cccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 2356434624 YOPDTZWFESWRCS-BVSLBCMMSA-N 384.476 2.961 0 1 GFAF CCCCn1c(=O)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c(O)c2ccccc21 100743224 WGDQFZMBDVNRCW-MQVJKMGUSA-N 383.492 2.862 0 1 GFAF CCC[C@@H](C(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O 26506478 QZCNJOPJKKWXCI-IBGZPJMESA-N 395.459 2.801 0 1 GFAF CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@]3(COC(=O)Nc3ccccc3)OC[C@H]2O1 27989793 DNTTVFLQOKHLPY-QZNHQWIBSA-N 379.409 2.633 0 1 GFAF CC[C@@H](C(=O)OC)c1cc(=O)n2c(c1C(=O)OC)[C@H]1Cc3ccccc3C[C@H]1C2 27420255 XYBNRRYKRHDDET-BBWFWOEESA-N 395.455 2.814 0 1 GFAF C[C@@H](S(=O)(=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)C(F)(F)F 26024595 FXJXGPQDWAZHPA-LURJTMIESA-N 386.291 2.640 0 1 GFAF CS(=O)(=O)N1CCC([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)CC1 72103152 JJZCZBVWCVYBTR-SFHVURJKSA-N 380.897 2.643 0 1 GFAF CCCCCCc1cn(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)nn1 40420204 WRDUALGNCVZVAK-IBGZPJMESA-N 390.438 2.859 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2ccco2)n1 82142206 VPSFXGKTBWXDKA-UHFFFAOYSA-N 385.468 2.595 0 1 GFAF O[C@](CNCc1ccc2[nH]ccc2c1)(Cn1cncn1)c1ccc(F)cc1F 45316396 JRSRGGXEZSVQCV-HXUWFJFHSA-N 383.402 2.715 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO2 95688555 NNLGSVIPEFKMPH-CLCXKQKWSA-N 391.512 2.519 0 1 GFAF O=C(NCc1ccccc1)[C@@H]1C(=O)Nc2ccccc2C(=O)N1Cc1ccccc1 95600918 YWPBROPVOBIYQF-OAQYLSRUSA-N 399.450 2.966 0 3 GFAF CCCOc1cccc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)c1 618015193 YOMBQQMRXLBASO-GZRFBZBPSA-N 382.464 2.622 0 1 GFAF COc1ccc(-c2oc(C3CC3)nc2C)cc1S(=O)(=O)NCC(C)(C)O 299826300 GRFBQKDYDSNAJV-UHFFFAOYSA-N 380.466 2.585 0 1 GFAF O=C(O)c1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1F 586919984 BLVIZXNYJPWMKM-UHFFFAOYSA-N 388.420 2.905 0 1 GFAF N=c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c[nH]1 587119621 ZTTNMVQUCCFREC-UHFFFAOYSA-N 375.152 2.591 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC)C[C@@H]1OC)CC2=O 587478734 SWBBHPCPCPVXHF-PXNSSMCTSA-N 377.437 2.926 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4cncn4)c1)[C@@H](C2)C3=O 587429881 BPBAOTJPTUKUNQ-HRAATJIYSA-N 377.400 2.832 0 1 GFAF N=c1[nH]cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)nc-2[nH]1 586966882 UMOVWSLUHSIIGN-UHFFFAOYSA-N 378.465 2.527 0 1 GFAF CC(C)(SCC(=O)O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586958810 JFAKPULQWJRXHK-UHFFFAOYSA-N 382.385 2.909 0 1 GFAF COc1ccc([C@@]2(c3ccc(CC(=O)O)s3)c3c(cnn3C)CCN2C)cc1 963956311 WBAVLJGRYKJVOW-OAQYLSRUSA-N 397.500 2.897 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCN(C)CC3)c2cn1)c1ccccc1 1772618599 OGXFUHDRHWSPLV-CQSZACIVSA-N 379.468 2.592 0 1 GFAF O=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1 1857613084 PJHUOXAJXYUPHX-UHFFFAOYSA-N 399.447 2.629 0 1 GFAF O=c1[nH]c2ccc(N(CCO)Cc3ccccc3)nc2nc1Cc1ccccc1 766690 GFHASDPIGZMZHF-UHFFFAOYSA-N 386.455 2.908 0 1 GFAF COc1cc2c(c3c1OCO3)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 1582888 RTZOCCKNBIQGFS-HNNXBMFYSA-N 383.400 2.583 0 1 GFAF biogenic,in-vitro CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)N2CCOCC2)cc1 4044903 GZTJVVUJMJKBOO-CTNGQTDRSA-N 379.460 2.703 0 1 GFAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)CCCCO 25968345 QFVICZQJYDDAAR-QQNWUWCKSA-N 396.524 2.702 0 1 GFAF O[C@@](Cn1cncn1)(Cn1nc2ccccc2n1)c1ccc(Cl)cc1Cl 28894786 COFBEZYLMSPODA-KRWDZBQOSA-N 389.246 2.918 0 1 GFAF CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(C3CCOCC3)CCN21 2356302828 DJDWMBVUQUHZEV-LJQANCHMSA-N 391.943 2.740 0 1 GFAF COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C)cc1 27564682 YGEKRXCIQJDLDQ-KRWDZBQOSA-N 384.457 2.828 0 1 GFAF O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)CN1CCOCC1 73166196 FMDWTOWYUWJTFT-IBGZPJMESA-N 387.451 2.713 0 1 GFAF NC(=O)Nc1sc(-c2cc(F)cc(F)c2)cc1C(=O)N[C@H]1CCCNC1 84671734 GDRXUUOZSYPBPT-LBPRGKRZSA-N 380.420 2.666 0 1 GFAF CCCCOCCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(CC)n2)C1 82069382 SLLCFRROYHYVRM-OAHLLOKOSA-N 381.542 2.881 0 1 GFAF CCN(CC)c1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12 84617993 MEAJTUKXCWPFLK-UHFFFAOYSA-N 392.511 2.728 0 1 GFAF N=C(O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1 87612852 WNSMEVLFFWTAQC-UHFFFAOYSA-N 376.825 2.723 0 1 GFAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2nc(Cl)c[nH]c-2n1 586945183 AYYJPYZIRHUBSI-UHFFFAOYSA-N 395.853 2.758 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587232254 VBHPXZGWXSRJLS-GHMZBOCLSA-N 381.379 2.921 0 1 GFAF Cc1cncc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 586941406 KJEFCTNIXAFPQW-UHFFFAOYSA-N 395.488 2.964 0 1 GFAF COC(=O)c1ccnc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12 586984449 QHGNFJQDAZOIJI-GFCCVEGCSA-N 375.226 2.750 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3[C@@H](C(=O)O)NC[C@@H]32)N1 587791070 FDVMAJMBLZMWCT-YQFGRMACSA-N 397.288 2.790 0 1 GFAF Cc1cc(C)n(-c2cc(NC(=O)CN3CCCC3)nc(-c3ccc(C)o3)n2)n1 14975557 ICWUXDJBFYYDHU-UHFFFAOYSA-N 380.452 2.882 0 1 GFAF COc1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](OS(N)(=O)=O)CC[C@H]12 169685530 AOEHUXLJSHGXHN-KRZFULPNSA-N 381.494 2.846 0 1 GFAF O=C1C(=O)N(Cc2nc(-c3ccccc3)no2)c2ccc(NC(=O)C3CC3)cc21 1857562380 RHJXTXCBNJPMPB-UHFFFAOYSA-N 388.383 2.815 0 1 GFAF Cc1sc([C@@H]2CCCN2C(=O)CN(C)C)cc1C(=O)Nc1nccs1 1857656248 APJHMHATXWPZPW-ZDUSSCGKSA-N 378.523 2.990 0 1 GFAF CN[C@H]1C[C@H](OC)C=C[C@@]12C(=O)N(CCC(C)C)Cc1cc3c(cc12)OCO3 1857748453 CQOYITPPZPOWPR-BUVFEPMLSA-N 386.492 2.604 0 1 GFAF CC=Cc1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC 2356416507 WGLRJONCGNNMKL-UHFFFAOYSA-N 388.372 2.716 0 1 GFAF Cc1nccc2[nH]c(=O)c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12 3061706 KUJGIAOXKGCRQF-UHFFFAOYSA-N 376.460 2.626 0 3 GFAF O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C(=O)N2CCSc3cccc1c32 100658361 YRMMLXIVGRMBPN-MRVPVSSYSA-N 386.380 2.732 0 1 GFAF C[C@H]1CCCCN1CCCNC(=O)Cn1ncc2c3ccccc3nc-2c1O 102864311 QVXVPSFAAXIIDI-HNNXBMFYSA-N 381.480 2.622 0 1 GFAF COc1ccc(C(=O)NC[C@@H]2COCc3nc4cc(NC(C)=O)ccc4n32)cc1 2356299266 DFPSDTUMRCPUPR-MRXNPFEDSA-N 394.431 2.505 0 1 GFAF Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNC2CCOCC2)n1 2356305807 INGUXUFDBQIFBA-WDSOQIARSA-N 382.508 2.991 0 1 GFAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356529281 ZYSAQDSHHWKJOQ-ZSXPUABSSA-N 387.499 2.819 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@@H]2C(=O)O)ccc1O 2356564945 JTHPLBUVRLOJBB-ROUUACIJSA-N 386.356 2.809 0 1 GFAF COC(=O)c1cc([C@H](O)CN[C@H](C)CCc2ccc3c(c2)OCO3)ccc1O 26993889 YJEDQPSGANOHKM-FZKQIMNGSA-N 387.432 2.552 0 1 GFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@@H]3c3ccc(F)cc3)cc2N1 82149483 LTLHQZAJZVFPBB-QGZVFWFLSA-N 381.392 2.848 0 1 GFAF CC(=O)NCCNCc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 45166869 ISSVICRGTOHTBQ-UHFFFAOYSA-N 393.409 2.861 0 1 GFAF NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1 40939712 WSLJHPIECPXNSM-UHFFFAOYSA-N 383.473 2.680 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(C(=O)NC2CCCC2)C3)cc1 95869195 MIGFEENCITXICD-GVOZXERRSA-N 397.519 2.733 0 1 GFAF CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)C1CC1 95668188 IWKWXIWLGNMWLK-YPAWHYETSA-N 396.462 2.694 0 1 GFAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3cccc(F)c3F)nc12 95586948 FPGORJYWLMAUBV-UHFFFAOYSA-N 393.371 2.842 0 1 GFAF CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 96019005 QHAIRSSUJMWISF-APWZRJJASA-N 381.494 2.732 0 3 GFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 586941210 RKVGGYVPADHLHN-KHPPLWFESA-N 398.488 2.663 0 1 GFAF O=C(O)CCc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O 587941865 RVZXDUVTGABZHB-UHFFFAOYSA-N 378.182 2.611 0 1 GFAF CCNC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587385565 DAWCSZSFWKMVBV-SFHVURJKSA-N 384.432 2.807 0 1 GFAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587391426 RLIMDGDIJGRPBN-ASSNKEHSSA-N 383.448 2.605 0 1 GFAF N[C@H](N=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587127574 XOIWURUAVKHDPB-LLVKDONJSA-N 385.327 2.642 0 1 GFAF CS(=O)(=O)Nc1ccccc1Cc1nc2cncc(Br)c2[nH]1 586949922 GUYLVLFPXSKYIR-UHFFFAOYSA-N 381.255 2.683 0 1 GFAF COc1ccc(C[C@@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1OC 587926753 OXYURFFZRMGORZ-LLVKDONJSA-N 375.450 2.574 0 1 GFAF Cc1ccc(NC(=O)CSCCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 586969948 BXAZUTKZCAZEJA-UHFFFAOYSA-N 393.476 2.761 0 1 GFAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@]2(CCC(=O)N3CCc4cccc2c43)N1 963238719 WFDAGUIDLRWYTN-HYBUGGRVSA-N 399.450 2.760 0 1 GFAF O=C(Nc1ccnn1C1CCN(Cc2ccc3c(c2)OCCO3)CC1)C1CC1 12592990 ZQORJMKKUGRIBX-UHFFFAOYSA-N 382.464 2.840 0 1 GFAF COc1ncccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 206096838 RRYJWEQJRKPLLP-UHFFFAOYSA-N 393.428 2.896 0 1 GFAF CC(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 5663265 XUSNIBQZEPHKPC-HXUWFJFHSA-N 397.475 2.514 0 1 GFAF CN1C(=O)N[C@@H](c2cccnc2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139943 FOMXGRXQNHKVHM-TYNCELHUSA-N 385.367 2.589 0 1 GFAF COc1ccc(CCNC(=O)[C@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)cc1 13660644 YSLXFKIOMUGVIN-MAODMQOUSA-N 390.487 2.779 0 1 GFAF O=c1ccc(-c2ccc(S(=O)(=O)N[C@H]3CCCc4ccccc43)s2)n[nH]1 20574748 HGXJGAIPLVDZBB-AWEZNQCLSA-N 387.486 2.854 0 1 GFAF O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1 26834594 BCWLXOBLHXTWME-NRFANRHFSA-N 397.500 2.748 0 1 GFAF CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCC3)CC2)C1=O 49110682 SJLWIGWOHYHSOE-UHFFFAOYSA-N 396.535 2.784 0 1 GFAF Cn1cc(-c2cnn3c(N)c(-c4ccsc4)c([C@H]4CCCNC4)nc23)cn1 60327541 MIMVFNINRFTKFF-LBPRGKRZSA-N 379.493 2.908 0 1 GFAF O=C1CCCN1CCCn1c(-c2cccnc2)nc2c(NCC3CC3)ncnc21 82181550 PYACCAOCQQNXTJ-UHFFFAOYSA-N 391.479 2.723 0 1 GFAF O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2)C1)c1ccc(Cl)s1 95573175 ALMBNZHSWURVRM-CYBMUJFWSA-N 386.926 2.833 0 1 GFAF CC(C)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)C(=O)CN(C)C 95871734 XFERKZADWBLNSR-CQOQZXRMSA-N 399.579 2.859 0 1 GFAF COCC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C(C)C 95895496 NVFCAYMPVCEKMK-MQSCRBSSSA-N 382.504 2.653 0 1 GFAF CC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CO)N1C(C)=O 95895711 VSSLUMFLNCMGMA-BDTNDASRSA-N 384.451 2.646 0 1 GFAF Cc1ccc([C@H](CC(=O)O)NC(=O)c2cc(O)n(-c3ccccc3F)n2)cc1 101564331 GRPHKKXAKUMYPI-HNNXBMFYSA-N 383.379 2.971 0 1 GFAF N=c1c2ncnc(Nc3ccc(F)cc3)c2ncn1NC(=O)c1ccccc1 102126551 JGSKORJKJMVGGF-UHFFFAOYSA-N 375.367 2.572 0 1 GFAF COc1cc2nc(NCCO)ccc2cc1NC(=O)c1csc2cncnc12 113652648 APNCLDVFDSDLCS-UHFFFAOYSA-N 395.444 2.905 0 1 GFAF CCCC[C@@H](O)C1=C[C@H]2Oc3c(OC)ccc4c3[C@]23CCN(C)[C@@H](C4)[C@]3(O)C1 169295453 WBVBPFKXFKIIPB-DDLMAITCSA-N 385.504 2.567 0 1 GFAF Cc1cnc(Cl)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc12 586932157 VDPXHVXPUMUMQX-UHFFFAOYSA-N 380.857 2.749 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(F)c(OC)c3N)[nH]c2c1 587133289 NWAALTZAOBZTSV-UHFFFAOYSA-N 392.456 2.990 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(N)=O)(c1c(C)nn(-c3ccccc3)c1C)O2 587389424 ICOLAZOOWNIWQK-JOCHJYFZSA-N 390.443 2.726 0 1 GFAF CCCCC[C@]1(CC(=O)N[C@@H]2CCOC2=O)CC(=O)c2cc(C)cc(N)c2O1 587390648 PFIFFTANBUMDBP-IIBYNOLFSA-N 388.464 2.683 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(CCN4CCOCC4)c1C)[C@@H](C2)C3=O 587429933 DXRVDLACHFVUPL-CVDCTZTESA-N 396.487 2.934 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCN(C)CC3)nc1)CC2=O 587474482 HLYDHQYMSYWOHD-LJQANCHMSA-N 382.464 2.593 0 1 GFAF CCCc1c(O)ccc2c1O[C@H]([C@H](CC(=O)OCC)C(=O)OCC)CC2=O 587483315 QATNJLLTCCBIPG-YOEHRIQHSA-N 378.421 2.811 0 1 GFAF Cc1nn(C)c(C)c1[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587758043 PBNLIMZZPASUJH-RBHXEPJQSA-N 396.260 2.801 0 1 GFAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1(C)C 618020193 HDDAUTKHEHHZCM-UHFFFAOYSA-N 378.416 2.955 0 1 GFAF Cn1nc(OC[C@H]2CCCCO2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21 1857769208 YAOMEMJAWYJKIY-CQSZACIVSA-N 378.436 2.958 0 1 GFAF COc1ccc(CNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1 3045432 ZLMYCOWUANVKID-UHFFFAOYSA-N 375.402 2.927 0 3 GFAF O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NC1CCCCC1 4907096 VLDQZWHVGWRLKP-UHFFFAOYSA-N 376.460 2.831 0 1 GFAF CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ccc(Cl)cc1 103277032 PRZGTDGPAKQWCZ-GOSISDBHSA-N 378.812 2.552 0 1 GFAF C[C@H]1/C(=C/c2ccccc2)[n+]2cccc(OCCCC(=O)O)c2[C-]1CC(N)=O 53650930 WNFFWMIYUBFDMI-QLENYVDCSA-N 380.444 2.663 0 1 GFAF COc1ccc([C@@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1 27727725 VFPTVCDWPKNPCA-MOPGFXCFSA-N 390.480 2.937 0 1 GFAF CO[C@H](c1ccccc1)c1nnc(CCC(=O)N2CCN(C3CCCC3)CC2)o1 20997525 VQFZVCBQUDMDLX-OAQYLSRUSA-N 398.507 2.825 0 3 GFAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@@H](OC)[C@@H]1OC(=O)CNC(C)=O 2356687549 SQLQLDKOWUQTAV-CZGNIMDHSA-N 379.497 2.943 0 1 GFAF COC(=O)c1cccc(C(=O)OC)c1CC(=O)NCCc1c[nH]c2ccccc12 2356710773 SXFJIYCGNXFLPB-UHFFFAOYSA-N 394.427 2.643 0 1 GFAF CC=C1CN2CC[C@@]34C(=C(C=N)[C@H]1C[C@@H]23)N(C(C)=O)c1c4ccc(OC)c1O 2356786650 SGDWZQZCNVENAB-OHOGDBNVSA-N 379.460 2.963 0 1 GFAF Cc1ncccc1N1C[C@@H](C(=O)NCc2ccc(F)c(F)c2Cl)N(C)C1=O 43199820 WNQZMWIHYRPXRG-AWEZNQCLSA-N 394.809 2.878 0 1 GFAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccc1)c1ccccn1 95867951 ZMSXXEFMZFVTQA-DNVJHFABSA-N 387.483 2.841 0 1 GFAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C/C(=O)O)[C@H](C)[C@@H]3[C@@H](O)C(=O)[C@@H]12 238736524 AKJOHBVQTUCYSB-BMBTWRQCSA-N 378.465 2.589 0 1 GFAF CCC[C@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 253951248 JPAYKFOGOBDDJL-AYMMHLMVSA-N 396.443 2.750 0 3 GFAF C=CS(=O)(=O)N[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 621485650 DCRXJXKABMFWBQ-AWEZNQCLSA-N 386.901 2.551 0 1 GFAF O=C(c1ccc(Cl)cc1)N1CCn2c(nn(-c3cccc(Cl)c3)c2=O)C1 299851052 DUBNOOAXIWHMRA-UHFFFAOYSA-N 389.242 2.997 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587762587 TXXYFJFMTKIPMS-KQYVJACZSA-N 399.304 2.833 0 1 GFAF CN1CCN(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 587657422 WHYGGTAHEIKMIF-UHFFFAOYSA-N 384.386 2.557 0 1 GFAF CCS(=O)(=O)c1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 587246987 KWQATVLDHARCHF-FQEVSTJZSA-N 385.489 2.708 0 1 GFAF CCc1cc(O)nc(SCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)n1 586967040 RWKPXVZGKCQQSG-UHFFFAOYSA-N 384.509 2.665 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)cnc2[nH]1 587231443 ODVROHOCCOEARA-VXGBXAGGSA-N 381.274 2.757 0 1 GFAF O=C1c2nccc3c2C[C@H]1N[C@]31CCc2cc(I)ccc21 963289479 NZRLYNRZZNQJJS-PBHICJAKSA-N 388.208 2.587 0 1 GFAF c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 1772593091 HSCFCMDPCFLHTC-UHFFFAOYSA-N 392.551 2.999 0 1 GFAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@H]1c1ccccc1Cl 1857556046 NGGXDQCJATZIPA-KRWDZBQOSA-N 393.852 2.620 0 1 GFAF C[C@H]1CNC(c2ccc(NC(=O)Nc3ccc(C4=N[C@@H](C)CN4)cc3)cc2)=N1 6495184 SWVAXZRNNHSCDR-KBPBESRZSA-N 376.464 2.807 0 1 GFAF C[C@H]1C[C@@H](C)CN(C(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)C1 20574314 ZRTBUNQMUFTSLY-BETUJISGSA-N 384.411 2.695 0 1 GFAF CCCC[C@@]12[C@@H]3C[C@H]4[C@H]([C@H](C)C=C5OC(=O)C(C)=C5OC)[C@@](O)(O3)[C@H]1CCN42 2356480663 LLRUDQNWYFSTOW-NSSDLIQMSA-N 389.492 2.724 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 64527686 LFLUHUHUEAGKGT-UPSTUMTKSA-N 380.485 2.662 0 1 GFAF CC(=O)O[C@H](C)C=CC(=O)N[C@@H]1C[C@H](C)[C@H](CC=C(C)C=CC(=O)O)O[C@H]1C 2356636034 SPJBXWLUCQGFSA-CTRAYCPCSA-N 393.480 2.770 0 1 GFAF COc1cc2c(c(OC)c1O)[C@H](CO)[C@@H](c1cc(OC)c(OC)c(OC)c1)O2 13480641 INACKEYIIKMUED-BBATYDOGSA-N 392.404 2.645 0 1 GFAF biogenic CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CN(C)C(C)=O 95894975 ZJHAFCAAIJLNFJ-FUDKSRODSA-N 380.488 2.897 0 1 GFAF O=C(c1ccccc1F)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95793932 QHMZMKOJUGPHNS-RTWAWAEBSA-N 380.463 2.891 0 1 GFAF CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncccc21 95572244 KXWWMQRXUZFAKE-PCCBWWKXSA-N 395.503 2.526 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(OC)C[C@@H]12 523041674 CZMOHCGAILDDJJ-QQGOIDMISA-N 378.465 2.897 0 1 GFAF biogenic c1ccc(CO[C@@H]2CO[C@@H]3[C@@H]2OC[C@@H]3n2nnnc2SC2CCCC2)cc1 36364889 YLWFNDANQSNTDP-XWTMOSNGSA-N 388.493 2.632 0 1 GFAF biogenic Cc1nn(C)c(C)c1Cc1noc(-c2cccnc2OC2CCN(C)CC2)n1 653759978 XPTUZTXRXSSOPQ-UHFFFAOYSA-N 382.468 2.546 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(C(=O)O)cn2)N1 587774583 WRSPHGYIGLIQQK-VPTHRUTESA-N 380.217 2.874 0 1 GFAF COC(=O)[C@]1(C)COCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587832794 CYDCJPDIUKYVPY-POJUEXTFSA-N 386.261 2.917 0 1 GFAF C[C@H](Oc1cccc([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1)C(=O)O 963032756 VEZHXBRVJBAAOV-FBJOKTGGSA-N 380.444 2.855 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@@H]3CC[S@@](=O)C3)c2cn1)c1ccccc1 1772572079 KVALHTUUDPPBEP-DUNVMPOJSA-N 398.492 2.774 0 1 GFAF O=C(c1ccc(Cl)cc1)N1CCC(=O)N([C@H](CO)Cc2ccccc2)CC1 13111150 ZDIZYVZZPNDXIU-IBGZPJMESA-N 386.879 2.618 0 3 GFAF C=c1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)/c1=C/c1ccc(-c2ccccc2F)o1 6193526 HQHZUWXFNMVDPU-LDADJPATSA-N 390.370 2.502 0 1 GFAF O=C(O)CC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 166964372 IYVIISGTDLLJJD-ZYPGJDAOSA-N 390.476 2.640 0 1 GFAF CC(=O)NC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1 205317706 QHNUWWRYDSGWCF-AWEZNQCLSA-N 397.498 2.955 0 1 GFAF Cc1ccccc1N[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@H]1c1ccccc1 225893317 DITQXHOILRJOOM-AZUAARDMSA-N 396.516 2.997 0 1 GFAF O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNCC1 1911577149 HOYXFXCLPCBVPO-QGZVFWFLSA-N 382.851 2.619 0 1 GFAF O=C(O)CCC(=O)N[C@@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 26571598 JMXUCPBUINCOSV-MOPGFXCFSA-N 383.444 2.912 0 1 GFAF Cc1[nH]c2ccccc2c1C1=C(NCCc2ccc(O)cc2)C(=O)N(C)C1=O 59086575 ASTXUVCVHJMRBM-UHFFFAOYSA-N 375.428 2.724 0 1 GFAF CCN(Cc1ccccc1-n1ncnn1)c1nc2nc3ccccc3n2s1 27557203 QJYZUUCUYYIJQI-UHFFFAOYSA-N 376.449 2.946 0 1 GFAF O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCCC1)c1ccccc1 28098675 QYHUTQXOVWGOEV-HXUWFJFHSA-N 378.472 2.999 0 1 GFAF CC[C@@]1(N(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 31900008 XYQRXBXBVRVZQV-QFIPXVFZSA-N 375.428 2.649 0 1 GFAF COc1ccc(NC(=O)c2[nH]c(=O)[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1 71333444 HRSDPQAWQHVFRC-UHFFFAOYSA-N 399.403 2.657 0 1 GFAF CN1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2[C@@H]1COc1cccnc1 45338177 XXFPUZNLBBEBHL-CBQOVEMMSA-N 387.487 2.984 0 1 GFAF Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCC1)CC3 82196038 PLIMBGGMYCOGEJ-UHFFFAOYSA-N 396.516 2.989 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCc2ccccn2)co1 82070846 CLNWNMRYXLPVGD-HNNXBMFYSA-N 379.416 2.949 0 1 GFAF COc1cc(O)c2c(=O)c(-c3cc4c(cc3O)OC(C)(C)[C@H](O)C4)coc2c1 49000001 KGVYNCMLLUQNGS-GOSISDBHSA-N 384.384 2.954 0 1 GFAF biogenic O=S(=O)(N[C@H](c1ccccc1)c1nc2cnncc2[nH]1)c1ccc(F)cc1 587170932 VDGYYBRYZUVTHE-QGZVFWFLSA-N 383.408 2.560 0 1 GFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(F)cnc(Br)c2[nH]1 587224388 IJAYKDFWAJTAFC-SECBINFHSA-N 393.216 2.943 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CN1CCOCC1)(c1cn(C)nc1C)CC2=O 587474071 AGTKGRMJAYHXBK-QFIPXVFZSA-N 399.491 2.580 0 1 GFAF COC(=O)c1cc2[nH]c([C@]3(N)CCc4cc(OC)ccc4C3)nc2cc1OC 587246464 GNOCMJDLLQBPAE-NRFANRHFSA-N 381.432 2.710 0 1 GFAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2nc(Br)c[nH]c-2n1 587175437 SKLKJYMCLGUFFF-JTQLQIEISA-N 375.205 2.930 0 1 GFAF CC[C@@]1(C2(C(=O)OC)CC2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962644408 QXOYUKBFDMLUFM-VXKWHMMOSA-N 382.460 2.892 0 1 GFAF COC(=O)C[C@]1(c2cccc(OC)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963038001 ZFEDGOMEUXJULI-RCDICMHDSA-N 380.444 2.555 0 1 GFAF COC(=O)c1ccc(C=O)c([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963233744 QAICFZHAFQCRNX-PMACEKPBSA-N 390.395 2.522 0 1 GFAF COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@]5(C[C@H]4C(C)(C)O)[C@@H](C2)N(C)CC[C@]315 5941568 MKWFKXIKUBABHP-OUZMBRJPSA-N 399.531 2.910 0 1 GFAF CC1(C)C=Cc2c(cc(O)c3c2O[C@H]2C(=O)[C@@]4(C[C@H]2C3=O)OC(=O)CC4(C)C)O1 1857632427 XTCMLRXJRULZJN-MJAOXLJMSA-N 398.411 2.821 0 1 GFAF COC(=O)Nc1nc2ccc(C(=O)c3ccccc3N(C)C3COC3)cc2[nH]1 1857764529 YCJPRBSFTBUZQJ-UHFFFAOYSA-N 380.404 2.807 0 1 GFAF C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 1490726 GLYJSFOAMOWVFN-BUXKBTBVSA-N 378.856 2.796 0 1 GFAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@@H]2[C@@H]1O 2356313687 SIMZXEAFDQBOMQ-QDRCKXFKSA-N 377.554 2.867 0 1 GFAF CC1CCN(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)CC1 3060392 XSWIQGFJJNCSFI-QGZVFWFLSA-N 393.553 2.553 0 3 GFAF CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1 3820941 UYWKZOUISPSVHR-UHFFFAOYSA-N 390.896 2.801 0 1 GFAF CC(=O)Oc1ccccc1C(=O)OCCCOc1no[n+]([O-])c1-c1ccccc1 27853108 VXSFICFBOGYFIU-UHFFFAOYSA-N 398.371 2.526 0 1 GFAF O[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc(C(F)(F)F)cc3)O[C@H]2[C@@H]1O 28571547 NTWLIYPEYOZBRF-WVXCVLBUSA-N 396.361 2.981 0 1 GFAF COc1cnc(N(C)[C@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)nc1 118879877 KBVRJPPAOHXFHO-ZDUSSCGKSA-N 384.411 2.657 0 1 GFAF COC1CCC2(CC1)Cc1ccc(-c3cccnn3)cc1[C@]21N=C(N)N(C)O1 141053320 NJKPIMLATGKIER-VYHPPPRESA-N 379.464 2.620 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O 95693314 AZDABJQXNZGANX-KHYOSLBOSA-N 391.512 2.519 0 1 GFAF COc1c(O)cc([C@H]2OC[C@@H]3[C@@H](c4cc(O)c(OC)c(O)c4)OC[C@H]23)cc1O 238774772 RYHHTEJSKIQZAS-YDOWWZDFSA-N 390.388 2.601 0 1 GFAF CCOC(=O)c1ccc2c(c1)[n+](=O)c(C(=O)OCC)c(-c1ccccc1)n2O 377845668 WDQUAIFOTDPUHZ-UHFFFAOYSA-N 383.380 2.814 0 1 GFAF O=C(NCCCCNC(=O)[C@H]1CCCCO1)c1cc(-c2cccs2)on1 473089003 QBJSZHCJHXMQBE-CQSZACIVSA-N 377.466 2.598 0 1 GFAF NC(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581052 UWBBWHYKLRXRQU-KNQAVFIVSA-N 391.379 2.959 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CS(=O)(=O)N(C)c2ccccc21 587494516 XPNXEUVDVFOODM-FQEVSTJZSA-N 387.457 2.985 0 1 GFAF Oc1nc(O)c2nc(/C=C/c3cccc(I)c3)[nH]c2n1 587183621 FMTBKEZHDNHEPV-SNAWJCMRSA-N 380.145 2.539 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(OCCN(C)C)cc3[nH]2)CC1 586952081 BMARVGDUJOQJHM-UHFFFAOYSA-N 394.541 2.501 0 1 GFAF C[C@@]1(C2CCS(=O)(=O)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610291 BJLZRFYKZQPXBO-XLIONFOSSA-N 388.441 2.937 0 1 GFAF COC(=O)[C@@H]1C[C@]2(CCN1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587757646 AXDVTXOLPJKZSU-QXKQMHMISA-N 385.277 2.585 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N3CCCCC3)cc1)(C(O)O)O2 587402382 ZSVAFWUKPHYKMI-QFIPXVFZSA-N 382.460 2.739 0 1 GFAF COc1ccc2c(c1)cc([C@@H]1c3c(cnn3C)CCN1C)c(=O)n2CC(C)C 963955276 OXKVBGRGNNRIOG-OAQYLSRUSA-N 380.492 2.977 0 1 GFAF O=C([C@@H]1CCCO1)N1CCN(C[C@@H](NCc2ccccc2)c2ccccc2)CC1 198327697 MUXRVMAFBSHERF-PKTZIBPZSA-N 393.531 2.841 0 1 GFAF CC(=O)N1CCC(N2C(=O)C(C)(C)c3cnc(Nc4ccc(F)cc4)nc32)CC1 1772639998 ZDHVKDSSSIVZNT-UHFFFAOYSA-N 397.454 2.994 0 1 GFAF COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 5825537 VTUBHADBCXCYLY-DHSNVRAJSA-N 385.460 2.737 0 1 GFAF COc1ccnc(C[S@@](=O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1OC 13452083 MXZZKWGZKMQUPZ-MHZLTWQESA-N 397.359 2.604 0 1 GFAF COc1cccc(CNC(=O)CCCN2C(=O)COc3ccc(C)cc32)c1OC 203474519 ZDXHLYLSYWNZJN-UHFFFAOYSA-N 398.459 2.834 0 3 GFAF COc1cc(CN(C(=O)Nc2ccc(C)cc2)n2cnnc2)cc(OC)c1OC 1857638016 ZKWAKDMIRWZRJT-UHFFFAOYSA-N 397.435 2.983 0 1 GFAF CCn1c2ccccc2c2nnc(N3CCN(C(=O)c4ccco4)CC3)nc21 6781672 KJKBUOXOGHIIJT-UHFFFAOYSA-N 376.420 2.555 0 1 GFAF O=C(O)CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O 58626954 RQTWYFDJDQNTLD-UHFFFAOYSA-N 379.372 2.502 0 1 GFAF in-vitro CCO[C@@H](C)COC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 27559702 RMPNFWSSMYSGHF-ZDUSSCGKSA-N 390.484 2.640 0 1 GFAF CC(=O)OC(C)(C)[C@H]1Oc2ccc3c(c2[C@H]1OC(=O)C(C)C)OC(=O)CC3 2356756397 BWKHAONALVOTAJ-MSOLQXFVSA-N 376.405 2.881 0 1 GFAF CCC(C)(C)C(=O)Nc1cc2c(c(S(=O)(=O)N3CCOCC3)c1)CCC2 45387442 HWFCLBPSZFIZHU-UHFFFAOYSA-N 380.510 2.571 0 1 GFAF CCc1nc(C(=O)NCc2ccc(C(=O)OC[C@@H]3CCCN3C)cc2)cs1 82069908 YEOZVOKMCXDDKG-INIZCTEOSA-N 387.505 2.887 0 1 GFAF O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 95893349 CWRHDHQOBCTQNA-FSSWDIPSSA-N 399.450 2.711 0 1 GFAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@@]5(CC[C@H]12)CC(=O)O[C@@]453 238766552 XCHPKMCSODEYHN-ZJQURUERSA-N 382.460 2.678 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CCC2)cc1 95894924 NTXLBDSQIMZREH-GQOJFVIOSA-N 399.535 2.884 0 1 GFAF C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)C(C)(C)C1 618020265 TXTJDJYATUWGLY-UHFFFAOYSA-N 381.498 2.732 0 1 GFAF O=C(O)c1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1F 587127525 VICHJOQMUSPOMG-UHFFFAOYSA-N 389.286 2.756 0 1 GFAF O=C(O)/C=C/C=C/c1nc2c(Cl)ncc(I)c2[nH]1 587968102 KPLHPFGPPNBCEP-ZPUQHVIOSA-N 375.553 2.870 0 1 GFAF Cc1ccoc1C(=O)N1CCCn2nc(C(=O)NCc3ccccc3)cc2C1 1772597483 OGXUOYSYOGGUSG-UHFFFAOYSA-N 378.432 2.761 0 1 GFAF Cc1ccc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)cn1 169707630 MDZWUIAVNMSHTF-SFHVURJKSA-N 378.354 2.629 0 1 GFAF Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)CC5)n4)n[nH]c3cn2)cn1 205241207 JUXYREUMIHGZST-HNNXBMFYSA-N 388.479 2.738 0 1 GFAF Cc1c(C(=O)N2CC[C@@H](c3ccccc3)C2)cnn1-c1nc(O)c2c(n1)CCC2 1857581147 GOMAAJAFGSHVNE-MRXNPFEDSA-N 389.459 2.795 0 1 GFAF CC1(C)Oc2cc3oc([C@H](O)Cc4ccccc4)cc(=O)c3c(O)c2C[C@@H]1O 2356307979 ICVZNVCTUUYGAV-KUHUBIRLSA-N 382.412 2.849 0 1 GFAF CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1nnc(C2CCCCC2)o1 28823408 ZKCCTJATTAIMKL-KBPBESRZSA-N 380.464 2.627 0 1 GFAF CC(=O)O[C@H](C)C=CC(=O)N[C@@H]1C[C@H](C)[C@H](CC=C(C)C=CC(=O)O)O[C@@H]1C 2356636037 SPJBXWLUCQGFSA-SGFSRKTBSA-N 393.480 2.770 0 1 GFAF CC1=C[C@@H]2C=CCC[C@H](O)C(=O)CCC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]3[C@@H]1C 2356785438 AEWVHSHRWIXYAA-WYYBMNPESA-N 387.520 2.975 0 1 GFAF CCCCCNc1nc(SC)nc(CCO)c1I 28653470 CTWWJSGVEGRPAZ-UHFFFAOYSA-N 381.283 2.940 0 1 GFAF O=C(O)c1cn(Cc2ccc(N3CCOC3=O)cc2)c2cccc(F)c2c1=O 45366376 RDLYSAKXEFVKMW-UHFFFAOYSA-N 382.347 2.844 0 1 GFAF CCCNC(=O)[C@H](CC(C)C)N[P@](=O)(O)CNC(=O)OCc1ccccc1 98208164 GSTDCDKICCYPKA-INIZCTEOSA-N 399.428 2.586 0 1 GFAF in-vitro CNC[C@@H]1Oc2ncc(/C=C/c3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95734173 HURDRCJWSCCATG-QORFCUQFSA-N 395.503 2.692 0 1 GFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 95894263 VPTFOXPNWYLTKZ-XUVXKRRUSA-N 394.475 2.987 0 1 GFAF CC(C)C(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 253639088 WXJKTTVGVITSOL-POCMPKHNSA-N 395.499 2.862 0 1 GFAF N[C@H](C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 253694627 XXNGRRJMDFPNGD-ULQDDVLXSA-N 395.450 2.667 0 1 GFAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@@H]3[C@H]5[C@@H]4[C@H]31)N2Cc1ccc(I)cc1 261134116 LTAWJWNPMAZAIW-RDZGJIMISA-N 391.252 2.552 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@@H]1C3 586989989 TVKONIGIOJYEPE-ZFXASYOHSA-N 386.407 2.539 0 1 GFAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586962449 RQQISSXKEYSQHU-VKHMYHEASA-N 391.766 2.908 0 1 GFAF CC[C@@H](c1nc2c(N)ccnc2[nH]1)n1cc(I)c(C)n1 587185056 PCQJLWREGWDVRN-JTQLQIEISA-N 382.209 2.649 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(N)(=O)=O)cc1)CC2=O 587481325 BGNQAWGSPLVLPD-LJQANCHMSA-N 375.446 2.873 0 1 GFAF NC[C@]1(C2CC2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963441126 AQANSKMIERPYFL-CVDCTZTESA-N 389.455 2.884 0 1 GFAF C[C@@]1([C@H]2C(=O)c3cccc4c3N(CCC4)C2=O)NCCc2c(C(=O)O)cccc21 963125455 VANQIUWSTFWQSC-FDDCHVKYSA-N 390.439 2.538 0 1 GFAF COC(=O)[C@H]1CCc2occc2[C@@]12NCCc1cnc3c(OC)cccc3c12 963067090 NEDZEHSLZHJHKC-OPAMFIHVSA-N 378.428 2.961 0 1 GFAF C=CN1CC[C@@H]([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)C1=O 962891231 CTYGICARYPUJQG-XQBPLPMBSA-N 380.419 2.660 0 1 GFAF CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962906605 HHAINQMKHLPSGX-FTRWYGJKSA-N 396.434 2.989 0 1 GFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@H](C(C)=O)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 169343463 OHTVSMGBAJOEFI-RSPFCTSVSA-N 381.472 2.529 0 1 GFAF COc1ccc(-c2nc(SC)ncc2C(=O)N=c2cc[nH]cc2)cc1OC 1857655208 GRVHGUPSEOHXGF-UHFFFAOYSA-N 382.445 2.952 0 1 GFAF COc1ccc(C(=O)NCCCCN2CCc3cc(OC)c(O)cc3C2)cc1 1857771312 JFKCCUAHUNXNFQ-UHFFFAOYSA-N 384.476 2.978 0 1 GFAF Cc1c(F)c(N2CC[C@@H](N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1 3796327 WBVCYTXKEYQJFB-SECBINFHSA-N 379.819 2.673 0 1 GFAF COc1c([C@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)ccc2c1OCCO2 103295603 RERRMLWHLKBPME-MJGOQNOKSA-N 383.444 2.939 0 1 GFAF COc1cc([C@@H](O)[C@@H]2CCCN(Cc3ccccc3)C2=O)cc2c1OCCO2 103282819 VUDXYLUTAZGKHJ-FXAWDEMLSA-N 383.444 2.939 0 1 GFAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccccc4s3)[C@H](C)[C@H]12 26674387 MPAMYOVOBDPWFP-GAJNKVMBSA-N 376.459 2.542 0 1 GFAF N[C@H](c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1)C1CCCCC1 61907669 CSPGDGGKNNHKJL-KRWDZBQOSA-N 389.525 2.974 0 3 GFAF Cc1cccc(NC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)c1C 20901491 DBXFPNNIGVHQBW-HNNXBMFYSA-N 385.493 2.889 0 1 GFAF O=C(O)CNC(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12 28365260 VIINBXCPHPGMQK-UHFFFAOYSA-N 396.374 2.811 0 1 GFAF C[C@@H](N)Cc1c2c(c(COCC(=O)Oc3ccccc3)c3c1OCC3)OCC2 28821721 IYCCUZBPGUYMNP-CQSZACIVSA-N 383.444 2.568 0 1 GFAF Cn1c(CCCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2cccnc21 26827697 DHOKAIALBTYPLM-INIZCTEOSA-N 396.472 2.874 0 1 GFAF COCCOc1cncc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NCC3)c1 72109815 LVZFXQCXIOECDX-UHFFFAOYSA-N 390.443 2.548 0 1 GFAF COC1=C[C@]2(Oc3ccc(-c4ccc5c(c4)OCO5)cc3C2=O)C(OC)=C[C@@H]1O 73166556 UAGMWZCUVFUKDE-NYHFZMIOSA-N 394.379 2.831 0 1 GFAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]45O[C@H]4C(O)=C(C(N)=O)C[C@]5(C)[C@@H]3CC[C@]12C 49836442 FZSGGHGGAOXTIP-ICXWACRASA-N 389.492 2.999 0 1 GFAF CC(C)[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82227977 HQAQEMVVMGYOPE-QGZVFWFLSA-N 398.438 2.853 0 1 GFAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95895218 SESYIFBSAZWGOZ-MQSCRBSSSA-N 392.499 2.945 0 1 GFAF O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC[C@]2(CCCO2)C1 146281800 LQTDFSNNPGGLMU-LJQANCHMSA-N 393.434 2.721 0 1 GFAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cc[nH]c(=O)c2)no1 143843473 MLSUFDHIQFAAEB-MRXNPFEDSA-N 380.404 2.558 0 1 GFAF CC(C)NC(=O)c1cn([C@H]2CC[C@@H](NC(=O)/C=C/c3cccs3)CC2)nn1 254096648 YWZMSSILNBYCSN-COAGHLHKSA-N 387.509 2.791 0 1 GFAF CC1(C)C(=O)CC[C@]2(C)C1=CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 263591394 ANIDXNZCYPDMLG-QLCPLSTRSA-N 388.504 2.626 0 3 GFAF CN(C)S(=O)(=O)c1cccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12 587163726 RWMZRWGVUITBSI-UHFFFAOYSA-N 375.425 2.768 0 1 GFAF COC(=O)CCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587762665 ZEDBBOXVDUBKDP-BTDLBPIBSA-N 396.260 2.971 0 1 GFAF COC(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 587147905 CUFJILVVPLLGQF-LLVKDONJSA-N 386.358 2.539 0 1 GFAF Cc1cc(Br)c2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2c1 587205146 YHCBHEIPIBHCDK-GFCCVEGCSA-N 381.274 2.713 0 1 GFAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2N1 587122215 ASBFNRYWAFHDKY-ISVAXAHUSA-N 389.345 2.710 0 1 GFAF Cc1ccc(C)c2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc12 587184854 FHUYTFICIBFZNF-UHFFFAOYSA-N 396.188 2.727 0 1 GFAF COC(=O)c1cc(OC)cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963234677 VEKJSTASYQUFSM-WOJBJXKFSA-N 392.411 2.718 0 1 GFAF O=c1c(-c2cccc(CO)c2)cccn1[C@@H](CN1CC[C@@H](O)C1)c1ccccc1 13488481 CZIDHILBPYABIX-GGAORHGYSA-N 390.483 2.664 0 1 GFAF COc1ccccc1COC(=O)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 13492647 MXWCGBYPRHHEPY-UHFFFAOYSA-N 384.779 2.535 0 1 GFAF CCOc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc12 209317005 IKPKPKMIZHNODQ-DOTOQJQBSA-N 380.452 2.576 0 1 GFAF Cc1sc(NC(=O)CN(CCc2ccccc2)C(=O)C2CC2)c(C(N)=O)c1C 1368392 GBDLQIURFZGXRQ-UHFFFAOYSA-N 399.516 2.884 0 3 GFAF CO[C@@H](C(=O)NCCCCNC(=O)[C@H](OC)c1ccccc1)c1ccccc1 6403166 CCGUGNVLMHWGRI-WOJBJXKFSA-N 384.476 2.774 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@H]2CC(CO)(C4)C3)C1 101371142 OMHBDFLGWZXMSG-ZEYFJDOVSA-N 394.512 2.909 0 1 GFAF CCNC[C@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 29417319 CXNAKWIKEHZMNI-MRXNPFEDSA-N 393.491 2.776 0 1 GFAF O=C(N[C@H]1C[C@H]1c1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523663 MBZWSAFWQQFKOG-FNAHDJPLSA-N 376.504 2.942 0 1 GFAF CCOC(=O)c1cnc(-c2ccc(Cl)s2)nc1NN1C(=O)C=C(C)C1=O 29397737 CRDXILZNMTVNLW-UHFFFAOYSA-N 392.824 2.677 0 1 GFAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C@H](N)C=C4)C3)CC[C@H]1[C@](N)(CCO)C2 2356873804 YIZYHUILVYNDNY-KYPMGQFMSA-N 389.584 2.939 0 1 GFAF CCOC(=O)C[C@@]12C=C[C@@H](OC(C)=O)[C@H]3c4cc5c(cc4CN(CC1)[C@@H]32)OCO5 73388726 MOJLTGVFSIJGFJ-ZINXYGQCSA-N 399.443 2.528 0 1 GFAF c1cncc(CNc2cn[nH]c2-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1 33747545 XHXFKXPIFVSMCT-UHFFFAOYSA-N 377.364 2.939 0 1 GFAF Cn1c(O[C@H]2CC[C@H](c3ccc(CO)cc3)CC2)nc(-c2ccncn2)cc1=O 146521446 UUYZRMHDPAJSNF-HDICACEKSA-N 392.459 2.835 0 1 GFAF CC[C@@H]1CN(C(=O)N2CCOCC2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25427580 KVYVFBJIRIXGHX-HZPDHXFCSA-N 375.469 2.521 0 1 GFAF biogenic CCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253636828 BPECEJDPRFPPQD-LTSYSURUSA-N 395.499 2.919 0 1 GFAF Cc1ccc2c(c1)[C@]1(C(=O)N2)C2=C(COC2=O)Nc2[nH]nc(-c3ccccc3)c21 299867665 QNGKDHGVGBGCDZ-QFIPXVFZSA-N 384.395 2.860 0 1 GFAF COc1cc(Br)c([C@H](N)c2nc3cc(F)cnc3[nH]2)cc1OC 586977159 YMOSDFRUTHUFEP-ZDUSSCGKSA-N 381.205 2.925 0 1 GFAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587439145 JRCAOTHUMGCJNH-NUSXMUBFSA-N 385.460 2.523 0 1 GFAF CC[C@@H](c1nc2cc(N)c(N)cc2[nH]1)n1cc(I)c(C)n1 587185722 XBNVFTSMIGMUTM-ZDUSSCGKSA-N 396.236 2.836 0 1 GFAF O=C(O)CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518253 DKCUSTQYCSJKGR-JOCHJYFZSA-N 377.396 2.857 0 1 GFAF CCn1cc(C(=O)C[C@]2(C(F)(F)F)NCCc3c(C(=O)O)cccc32)cn1 963126636 WHTGOGXZZZDGFA-KRWDZBQOSA-N 381.354 2.778 0 1 GFAF COC(=O)[C@H](c1n[nH]c2ccccc12)[C@H](C(=O)OC)c1n[nH]c2ccccc12 5545978 RFOAQAFAYCWQCW-HOTGVXAUSA-N 378.388 2.653 0 1 GFAF COC(=O)CCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 14969287 DZXHVKADRGRHES-JOCHJYFZSA-N 386.492 2.679 0 1 GFAF CCOC(=O)Cc1c(C)nc2nc(NCc3ccc(SC)cc3)nn2c1O 15669010 RTLYICWZASMBJZ-UHFFFAOYSA-N 387.465 2.578 0 1 GFAF c1cc2cc(-c3ccc4nc(C5=NCCCN5)cn4c3)[nH]c2cc1C1=NCCCN1 204894734 IJIMUNXMQPEGJT-UHFFFAOYSA-N 397.486 2.962 0 1 GFAF CN1c2ccccc2Oc2nnc(N3CCN(C(=O)c4ccco4)CC3)cc21 20177836 DLPNCNZFORCSGX-UHFFFAOYSA-N 377.404 2.906 0 1 GFAF C[C@@H]1CC(=O)O[C@@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@H]12 2356596544 KBMHBZPVMGJISK-YJHCXXFGSA-N 390.520 2.718 0 1 GFAF COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1 71294722 WEFRNUXPTYTOEU-UHFFFAOYSA-N 382.395 2.928 0 1 GFAF CC(C)Cc1ccc(-c2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 45354930 VRYNGXKQHUXZCX-SFHVURJKSA-N 390.439 2.953 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccccc2)cc1 95895645 GORVFQJRTXHRGE-OEEWCGOCSA-N 378.472 2.825 0 1 GFAF COc1cccc2cc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)c(Cl)nc12 98083024 JIBCBBONBHZBKD-HNNXBMFYSA-N 378.841 2.898 0 1 GFAF CCC(=O)N(CC)C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O 95895305 FDMJCTSKHMEBMC-XJUOHMSHSA-N 395.503 2.682 0 1 GFAF CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)OCC(=O)OC(C)(C)C 299832650 KATYGPKDIWWZCL-QPBNVFPISA-N 380.481 2.842 0 1 GFAF COCCOc1nc(N)nc2c1C[C@@H](c1c(Cl)cccc1Cl)C(=O)N2 653714959 HLVTYMXKZZNQCL-QMMMGPOBSA-N 383.235 2.669 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N3CCCCC3)cc1)(C(O)O)O2 587402381 ZSVAFWUKPHYKMI-JOCHJYFZSA-N 382.460 2.739 0 1 GFAF C=CN1CC[C@H]([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587437547 JMEUHMIGTVXREW-JKSBSHDWSA-N 376.412 2.725 0 1 GFAF Nc1c(O)cccc1[C@]1(C[C@@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587507924 DGRNNGJROLTAPJ-ZHRRBRCNSA-N 396.443 2.516 0 1 GFAF COC(=O)c1cc(Br)c2[nH]c([C@@H](O)c3cccc(O)c3)nc2c1 586888802 CYBFOXKCCVHPQM-AWEZNQCLSA-N 377.194 2.899 0 1 GFAF COc1cc2c3c(c1)O[C@](CN1CCOCC1)(c1ccccc1C)[C@@H](C2)C3=O 587445328 VATAWCRTZGCQSG-WMZHIEFXSA-N 379.456 2.979 0 1 GFAF COC(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587126542 CQNWWPVASZHFAZ-UHFFFAOYSA-N 385.323 2.705 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1cc(N4CCC(O)CC4)ccc1N)[C@@H](C2)C3=O 587443149 LDGDTQOBLRRMDQ-FDDCHVKYSA-N 394.471 2.901 0 1 GFAF COC(=O)c1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cn1 587145467 ZCCOTKAVRFDRIF-NSHDSACASA-N 393.216 2.889 0 1 GFAF CNC1CCN(C(=O)c2nc(Nc3cc(C)[nH]n3)c3cc(Cl)ccc3n2)CC1 1772626913 SQNQEVSSPGGWOF-UHFFFAOYSA-N 399.886 2.882 0 1 GFAF COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2ncn3C(C)C)cc1 13863606 UQBGQWFIFPRMQE-UHFFFAOYSA-N 395.511 2.780 0 1 GFAF Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCO 14974507 LLBOKJHIOONDOB-UHFFFAOYSA-N 378.870 2.815 0 1 GFAF COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 169686040 DFMVDXRXZFVYQK-ZIAGYGMSSA-N 399.453 2.764 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1CN(C)CC[C@@H]1c1c(O)cc(O)c2c(=O)cc(C)oc12 208821244 DSBBHVSUDLJUOE-QOFJKRMWSA-N 387.432 2.810 0 1 GFAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(-n4cncn4)cc3)C2)cc1OC 1857545459 UKCXZPYLFIKBLZ-LJQANCHMSA-N 391.431 2.982 0 1 GFAF Cn1cc2c3c(c[nH]c3c1=O)CN(CC1CC1)c1ccc(S(C)(=O)=O)cc1-2 218399718 UDASLELEUIMYKL-UHFFFAOYSA-N 383.473 2.667 0 1 GFAF Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1 1911570323 OVLIDRAJVMUEMC-UHFFFAOYSA-N 378.427 2.797 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCC[C@H]1C 2498797 WBFXFVHIMIAONG-MCIONIFRSA-N 390.596 2.843 0 1 GFAF Cc1nn(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)c(C)c1Cl 103280308 UWURZEVXIGOZBE-UHFFFAOYSA-N 392.246 2.991 0 1 GFAF COc1ccc([C@@H]2Oc3c4c(cc(O)c3C(=O)[C@H]2O)OC(C)(C)CC4)c(O)c1 2356400403 YOVXQNOKBPXHOT-QUCCMNQESA-N 386.400 2.887 0 1 GFAF C[C@H]1C[C@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1 29342873 CVBNRFNODBVPIQ-AAEUAGOBSA-N 399.397 2.893 0 1 GFAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@H](OC)[C@@H]1OC(=O)CNC(C)=O 2356687550 SQLQLDKOWUQTAV-FIRPJDEBSA-N 379.497 2.943 0 1 GFAF O=C(O)c1ccccc1OC(=O)[C@@H]1CCCN1C(=O)CC[C@@H](O)c1ccccc1 29337967 GVVIUPKACUDUER-ZWKOTPCHSA-N 397.427 2.795 0 1 GFAF CC(C)CC[C@]1(O)c2cc3c(O)cccc3c(O)c2C(=O)[C@@H](C)[C@]1(O)C(=O)O 2356789166 CZCMNEIPHMQXSR-ZYWKYPLSSA-N 388.416 2.523 0 1 GFAF COc1ccc(CCNC(=O)c2c(C)n(O)c3ccc(Cl)cc3[n+]2=O)cc1 49067433 VXKIWIUWQGZEGB-UHFFFAOYSA-O 388.831 2.736 0 1 GFAF CC(C)C(=O)CC[C@]12COC(=O)[C@@H]3C[C@]14CN(C)C[C@H]2CCC1=CC[C@H]3[C@@]14O 238741145 SVACRXZQRXORCG-QNWULWIJSA-N 387.520 2.574 0 1 GFAF CC(C)n1cnc2c(NCc3cccnc3)nc(NC[C@H](O)C(F)(F)F)nc21 96177802 XQYCTMGXRKRCSW-LBPRGKRZSA-N 395.389 2.749 0 1 GFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799799 YSAXNOKQXHYVFI-QHFYTZTLSA-N 397.288 2.821 0 1 GFAF O=C([C@H]1CN2CCC[C@@H]2CO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660087 BVVASFUPHJDMHI-VQIMIIECSA-N 393.418 2.706 0 1 GFAF O=C(O)c1cccc2c1CCN[C@H]2c1cccn1S(=O)(=O)c1ccccc1 963135754 FVEAUWZTPTVODO-LJQANCHMSA-N 382.441 2.658 0 1 GFAF COc1ccc(C(=O)N2CCC[C@@H](CO)C2)cc1OC1CCN(C(C)C)CC1 12588445 HKSRDFUJNDLFHI-QGZVFWFLSA-N 390.524 2.791 0 3 GFAF COc1cc(O)c2c(=O)c3c(oc2c1)-c1ccc(O)cc1O[C@@H](C(C)(C)O)C3 14635135 CLBXZXANZHXYLN-QGZVFWFLSA-N 384.384 2.954 0 1 GFAF endogenous,in-man COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]12C[C@@H]1[C@@H](N=O)c1ccccc1O2 169716578 MZNKZHJGVLNPEC-JIYIMXKPSA-N 380.400 2.546 0 1 GFAF CCCCCn1nnnc1[C@@H]1c2ccccc2OCC(=O)N1Cc1ccco1 203465591 HYTNBJIQAAFGQZ-IBGZPJMESA-N 381.436 2.967 0 3 GFAF Cc1cccc(N2CCC(c3[nH]nc4c3[C@](O)(C(F)(F)F)CC(=O)N4)CC2)n1 1857563105 FHIYIFMIKLJBBV-KRWDZBQOSA-N 395.385 2.589 0 1 GFAF Cc1c(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)ccc(F)c1F 1857746544 OICQREXKNZSISP-ZDUSSCGKSA-N 396.415 2.593 0 1 GFAF O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccnc2)cc1 100106971 XXTZVQYVVOVCPT-ZBYYUNFXSA-N 391.496 2.877 0 1 GFAF O=C(c1c(F)ccc(NS(=O)(=O)C2CCC2)c1F)c1c[nH]c2ncncc12 115199072 FQZJBDRTXBTQQQ-UHFFFAOYSA-N 392.387 2.761 0 1 GFAF CN1C(C(=O)Nc2nccs2)=C(O)c2ccc3ccccc3c2S1(=O)=O 28104431 QBODTUQSKJHYHL-UHFFFAOYSA-N 387.442 2.796 0 1 GFAF CC[C@H](O)[C@@H](O)CC=CCC=CCCCCCCCC(=O)OC[C@H](O)CO 2356577979 YTWKAWSYURUHGL-AABGKKOBSA-N 386.529 2.638 0 1 GFAF COc1cc2c(cc1OC)C(=O)c1c3ccc(OC)c(OC)c3cc(=O)n1CC2 13434457 QOBSOJYQJXHFLO-UHFFFAOYSA-N 395.411 2.823 0 1 GFAF biogenic CS(=O)(=O)N1CC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21 40974557 DFRJFLMARWUQQJ-UHFFFAOYSA-N 382.489 2.881 0 1 GFAF CCc1c(-c2ccc(N3CC[C@@H](N4CCCC4)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 142864413 LFWGHQVJEABGOY-MRXNPFEDSA-N 397.475 2.683 0 1 GFAF COC(=O)C[C@@H]1CO[C@](C)(O)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 33830667 JFXKBFPAEBJNEN-QVLNPVJFSA-N 384.476 2.621 0 1 GFAF biogenic O=C(NCc1ccc(F)cc1F)c1cn(Cc2ccc(F)cc2)cc(O)c1=O 653882249 CEIDXZHOHPXUOL-UHFFFAOYSA-N 388.345 2.950 0 1 GFAF CN=c1[nH]c(N)c([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587448791 CJCBOJKXUDGNET-SZNDQCEHSA-N 393.468 2.889 0 1 GFAF Cc1nc2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2cc1Br 586949863 DKGYIANHWPTQCJ-UHFFFAOYSA-N 395.282 2.991 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(C[C@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)NCC2 962930833 MQJPNYWWERSNFZ-JPEVHGAISA-N 385.508 2.759 0 1 GFAF COC(=O)c1ccc(C=O)c([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963233751 QAICFZHAFQCRNX-WOJBJXKFSA-N 390.395 2.522 0 1 GFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1ccccc1-c1nn3nnnc3nc12 962946857 MBBYBOVSQDRGOQ-YTEVENLXSA-N 394.442 2.592 0 1 GFAF O=C(NCCCN1CCCC1=O)c1cc(COc2ccc3ncccc3c2)on1 11873773 YIQTWSPCGYLHNF-UHFFFAOYSA-N 394.431 2.544 0 1 GFAF CCc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)on1 12202561 XKQSJNGPXCCRJC-AWEZNQCLSA-N 375.856 2.945 0 3 GFAF O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccsc1)CC2)[C@@H]1CCCO1 12209360 FHODVXBGWZBZCK-KRWDZBQOSA-N 392.502 2.613 0 1 GFAF CCN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccc(F)cc2F)[nH]n1 12445931 BKOXXOJVVSXJRK-UHFFFAOYSA-N 375.379 2.663 0 1 GFAF Cn1nc(C(F)(F)F)cc1OC[C@@H](CO)NCc1cnc2ccccc2c1 169328790 LNGWIRREYVRBNQ-CQSZACIVSA-N 380.370 2.517 0 1 GFAF CCOC(=O)[C@@H]1C(C)=Nc2nc(SC)nn2[C@H]1c1ccc(C(=O)OC)cc1 169688405 WLUJAGFOOWEHAM-KGLIPLIRSA-N 388.449 2.661 0 1 GFAF Cc1ccccc1S(=O)(=O)NCc1ccc(CNC(=O)c2cccnc2)cc1 1857608385 IQJIYWRGGCRIDS-UHFFFAOYSA-N 395.484 2.799 0 1 GFAF Cc1cccc(N[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2c2ccccc2)c1 1857746148 BDZKULQRRABEFU-PMACEKPBSA-N 396.516 2.997 0 1 GFAF O=S1(=O)CCCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148603403 ABNYLTYUNOWYES-OAHLLOKOSA-N 394.443 2.859 0 1 GFAF O=P(O)(O)C(Nc1cccc(-c2cc(F)cc(F)c2)c1)P(=O)(O)O 13673736 TXETWTRGHHZRRG-UHFFFAOYSA-N 379.192 2.683 0 1 GFAF CNCCN[C@@H]1CC[C@]23[C@H](O)C[C@@]4(C)CCC[C@@](O)(C4)[C@@H]2C[C@@]32CCC[C@H]12 2356367648 GXLSAOIQBAQVQI-TYTCJDMUSA-N 376.585 2.827 0 1 GFAF COc1ccccc1NC(=O)[C@@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F 103194303 BGDYQJJNXCYSBL-AWEZNQCLSA-N 385.317 2.890 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2N(CCO)CCO 2356309444 IEQZBQLFRAVFHT-CXJHFUFTSA-N 377.569 2.965 0 1 GFAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1c(C)noc1C 2356762836 WZWNTSUHHBJKEQ-ICSRJNTNSA-N 377.529 2.964 0 1 GFAF COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ccccc3O2)nc1=O 213635841 BNFSDWFPQICEMS-MRXNPFEDSA-N 392.411 2.694 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC 14646736 PFCOJAPJHVVASV-CABCVRRESA-N 386.400 2.713 0 1 GFAF biogenic COc1ccc2c(c1OC)[C@H](O)O[C@H]1c3cc4c(cc3CCN(C)[C@H]21)OCO4 14887245 BTORBKYDJDEQNX-SVFBPWRDSA-N 385.416 2.724 0 1 GFAF biogenic O=C1c2cc3ncn(CCc4cccc(F)c4)c(=O)c3cc2O[C@@H]2CCCN12 72128568 RKTWPUGVMOEUQE-LJQANCHMSA-N 379.391 2.733 0 1 GFAF COc1cccc([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c1 45245137 SSQFHHTZOZJMGM-FQEVSTJZSA-N 386.404 2.960 0 1 GFAF COc1ccc([C@]2(c3ccc(F)c(-c4cncnc4)c3)NC(=N)N(C)C2=O)cc1 43103526 RVOJQIIUOOLEPR-OAQYLSRUSA-N 391.406 2.531 0 1 GFAF COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@H]2CO 95878765 OWZWTDQWRCAHMI-XJABCFGWSA-N 384.451 2.839 0 1 GFAF CNC(=O)C[C@@](C)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C1CC1 146197288 OXCWDJBBNIVBSM-GOSISDBHSA-N 399.413 2.935 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 95869637 BEFCMBFVMVBGFU-BNEDYOEESA-N 394.446 2.670 0 1 GFAF CC(C)NC(=O)N1[C@@H]2CN(C(=O)c3ccccc3F)c3ccccc3[C@@H]2[C@@H]1CO 95894247 HPIFXWSTHYBMFD-AABGKKOBSA-N 397.450 2.733 0 1 GFAF CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN(CC)CC)cc1 473119688 BGEZLRMKKOUMIN-UHFFFAOYSA-N 383.558 2.569 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426726 PMGPDAURZIECMO-SZNDQCEHSA-N 384.359 2.609 0 1 GFAF COC(=O)[C@]1(C)COCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587836368 TUUGUDMWNWRYPU-YKJXYISPSA-N 386.261 2.917 0 1 GFAF COc1ccc([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809595 RCPDMLJKLZZMGA-MGNBDDOMSA-N 396.256 2.685 0 1 GFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587259115 DKMJIKDDHWOEBB-YJBOKZPZSA-N 396.451 2.993 0 1 GFAF CC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)[nH]c2c(C(=O)O)cccc12 587637793 AACARXNZZGXHTR-UHFFFAOYSA-N 376.368 2.907 0 1 GFAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C(F)(F)C1 587132029 HLWJYXLBWJWLTO-VIFPVBQESA-N 394.378 2.863 0 1 GFAF CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@@]21c2c(N)ccc3c2CCN1C3 962950069 DNKBSLKYQCNCMA-UFOHAEMQSA-N 385.508 2.786 0 1 GFAF CC(C)[C@]1(c2nccn2C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638025 RSEFGRFWLWKNFA-PXAZEXFGSA-N 383.370 2.817 0 1 GFAF COc1ccc([C@]2(C3CCNCC3)NCCc3c2c(C(C)C)nn3C)cc1OC 962922185 VTQKXOJROIVIOV-QHCPKHFHSA-N 398.551 2.950 0 1 GFAF CC[C@@H](C)NC1CCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)CC1 12195654 GAEQIJFRPNEBMY-CYBMUJFWSA-N 376.526 2.699 0 1 GFAF Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 13444426 JECHDKUWRBFZLB-UHFFFAOYSA-N 395.200 2.842 0 1 GFAF N=C(N)c1ccc2oc(C[C@H](C(=O)O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1 13735914 BUZIFYFUSBPIJE-HKUYNNGSSA-N 393.443 2.868 0 1 GFAF CCOC(=O)c1c[nH]c2ccc(C)cc2c1=Nc1cccc(S(N)(=O)=O)c1 1911581766 BKSIJMABMDRGTB-UHFFFAOYSA-N 385.445 2.533 0 1 GFAF COc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110652203 MECPUUIBKLQCNP-CABCVRRESA-N 397.412 2.604 0 1 GFAF CN(C)C[C@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 29411269 JYAQSAVMVPPYHP-MRXNPFEDSA-N 393.491 2.728 0 1 GFAF CN1C[C@@H](NCc2cccc(Cl)c2)CCC[C@@H](C(=O)NC2CC2)CC1=O 2356544930 JNHRXOCIWAONRZ-QAPCUYQASA-N 377.916 2.725 0 1 GFAF CN(Cc1nc2c(CN3CCNCC3)cccc2[nH]1)[C@@H]1CCCc2cccnc21 34660798 HOTFDACOUFWRFX-HXUWFJFHSA-N 390.535 2.873 0 1 GFAF CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cc(F)ccc1F 95794344 DZLXCEINTWUENV-PZJWPPBQSA-N 386.442 2.916 0 1 GFAF CC(C)NC(=O)N1[C@@H]2CN(C(=O)C3CCCCC3)c3ccccc3[C@@H]2[C@@H]1CO 95893322 NUHGALHHGHVKKL-AABGKKOBSA-N 385.508 2.860 0 1 GFAF O=C1C[C@@H](c2nc3c(S)nc(S)nc3[nH]2)CN1Cc1ccc(F)cc1F 587147989 DUOZTLHJWYIXKE-MRVPVSSYSA-N 393.444 2.725 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c12 587109434 PQNGKMNNTYSONU-UHFFFAOYSA-N 385.323 2.594 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)NCc1ccco1 587868266 YEBBJPJFCVKPSR-UHFFFAOYSA-N 394.309 2.522 0 1 GFAF CCS(=O)(=O)c1cccc(Cc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)c1 586922105 QSMGBYRVZRTRSV-UHFFFAOYSA-N 388.445 2.743 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)o1 586923571 QMASWDPJRAWBLW-UHFFFAOYSA-N 398.444 2.642 0 1 GFAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c[nH]c(=N)[nH]c-3n2)c1 587050623 PWEKSQDQXOKXLX-SREVYHEPSA-N 399.842 2.761 0 1 GFAF CN(C)S(=O)(=O)c1cccc2[nH]c(C(=O)Nc3ccccc3Cl)nc12 587060513 PCKLKAGOGKZSRP-UHFFFAOYSA-N 378.841 2.719 0 1 GFAF Cc1nn(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)c1Br 586978953 MIPLHCOEMBYZGZ-UHFFFAOYSA-N 376.258 2.889 0 1 GFAF Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@@H]3CCOc4ccccc43)c2n1 1772610718 SKRPNXRBZGADND-QGZVFWFLSA-N 380.448 2.643 0 1 GFAF CC[C@@]12CCCN3CCc4c(n(c5cc(OC)ccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 14829329 QMSXPSURJTUZMP-FCEUIQTBSA-N 384.476 2.961 0 1 GFAF O=C(NCC1CCN(Cc2ccccc2)CC1)c1c(O)c2ccccc2[nH]c1=O 169311162 REEKWTZFCFKUCQ-UHFFFAOYSA-N 391.471 2.876 0 1 GFAF Cn1cc(-c2cc3c(-c4cccc(N5CCC(CN)CC5)n4)n[nH]c3cn2)cn1 205266685 QVACRZZJGYNCTJ-UHFFFAOYSA-N 388.479 2.596 0 1 GFAF C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@]4(COC(C)=O)C(=O)OC 59721439 QBHALCZZZWCCLV-IMZMVCAFSA-N 394.471 2.787 0 1 GFAF CC[C@@H]1CCCCN1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O 4110915 ASNFVNZYXGVLQU-LJQANCHMSA-N 382.508 2.681 0 3 GFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCC(C)(C)CO 4154306 UOBMMUOQEFNPBT-MJGOQNOKSA-N 386.448 2.905 0 1 GFAF CCN1CCC[C@@H]1CNC(=O)Cn1nc(C)c2sc3ccccc3c2c1=O 6799001 GMDQVOJDVDEZKO-CQSZACIVSA-N 384.505 2.520 0 1 GFAF C[C@]12[C@H](O)C[C@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]43C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 7997735 SHIBSTMRCDJXLN-GVILULPJSA-N 390.520 2.575 0 1 GFAF Cc1ccc(-c2c(CC(=O)NCC(=O)O)c(C)nc(CC(C)C)c2CN)cc1 66167049 IWSBUTFDSQBFPM-UHFFFAOYSA-N 383.492 2.766 0 1 GFAF CC(=O)O[C@@H]1[C@H](O)[C@H](C(C)C)[C@]2(C)CC[C@]3(C)CC[C@H](O)C4=C3[C@@H](OC4)[C@H]12 2356610646 RQLGNNVVLDWWNK-OKFPHPSDSA-N 378.509 2.838 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)C[C@]23CC[C@@H]2C[C@](C)([C@H](O)CO)C[C@H](O)[C@@]2(C)[C@@H]13 2356638985 ZSNIMPKKVQQYAC-BPVYLLLPSA-N 380.525 2.655 0 1 GFAF COc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1F 66258322 BUTOJIRWEZZKFM-UHFFFAOYSA-N 387.367 2.672 0 1 GFAF COCCNC(=O)[C@@H]1CCCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 61928318 UFDBJFCFXVSULJ-QGZVFWFLSA-N 390.524 2.754 0 3 GFAF CN(C)C(C)(C)COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085525 JLOIAEOVJXPQFB-AWEZNQCLSA-N 391.493 2.891 0 1 GFAF Cc1cnc(-c2nc(C(=O)NCCCCC(=O)NO)c(C3CC3)s2)s1 147369902 YIHNCPKQQJIDCQ-UHFFFAOYSA-N 380.495 2.858 0 1 GFAF CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95794786 YZAOSHCLUDBABW-HZPDHXFCSA-N 385.430 2.572 0 1 GFAF CC(=O)O[C@H]([C@H](O)C/C(C)=C/CC/C(C)=C\CC/C(=C/CO)CO)C(C)(C)O 238786397 ZJXUGIHNAZCNTF-LLLBXKHFSA-N 398.540 2.804 0 1 GFAF CCOC(=O)CCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21 299829642 HTUZGIOEZZLLCE-UHFFFAOYSA-N 385.464 2.658 0 1 GFAF CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(C4CCOCC4)C[C@H]23)c2ccccn12 653793015 UCBJHEUKRGTDHV-NNZMDNLPSA-N 382.508 2.544 0 1 GFAF Cc1cc(C(F)(F)F)n2ncc(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)c2n1 653795660 PJQCRUNSDRNENO-KZZRMYMPSA-N 394.397 2.726 0 1 GFAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586882521 WTHIFQODVPLYIY-UHFFFAOYSA-N 399.472 2.742 0 1 GFAF FC(F)(F)c1nn(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c2c1CCCC2 587120339 ZBCJPAVPCADVKU-UHFFFAOYSA-N 388.357 2.681 0 1 GFAF COC(=O)c1ccnc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc12 587198118 YOMICMFIGSZULO-GFCCVEGCSA-N 390.440 2.661 0 1 GFAF O=S(=O)(c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1)N1CCOCC1 587072228 OYWHTHIDZKCNTR-UHFFFAOYSA-N 377.853 2.904 0 1 GFAF Oc1nc(O)c2cc3c(nc2n1)-c1cccc(I)c1C3 587368844 AMYXYHVVGDMHHV-UHFFFAOYSA-N 377.141 2.612 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1CCN(C)CC1 587864074 WVPFGDLJBJVHIV-UHFFFAOYSA-N 396.413 2.855 0 1 GFAF CC(C)(C)[C@@H]1C=C(C(=O)N2CCOCC2)O[C@H](OCc2ccc(CO)cc2)C1 13656791 MQWLUXIQBFKVGS-QUCCMNQESA-N 389.492 2.847 0 3 GFAF COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](OC)[C@@H]2O)cc1OC 14436144 NISCJHBPSGXQOI-KURKYZTESA-N 376.405 2.903 0 1 GFAF O=C(c1ccc2ccccc2c1)N1CCn2c(nnc2C(=O)N2CCCCC2)C1 205221478 OJJOCJZBYJQGLN-UHFFFAOYSA-N 389.459 2.713 0 3 GFAF COCCOc1n[nH]c2cc(NC(=O)N[C@@H](C)c3ccc(OC)cc3)ncc12 209384352 QJMXKDOWJKVXKY-LBPRGKRZSA-N 385.424 2.874 0 1 GFAF N=c1[nH]cnc2c3c(n(-c4ccc(CC(=O)Nc5cccnc5)cc4)c12)CCC3 1857556285 AIVHXNWKDSIIBA-UHFFFAOYSA-N 384.443 2.898 0 1 GFAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 2356362656 DNNZSDGXOAZXGM-MHTWAQMVSA-N 383.536 2.773 0 1 GFAF O=C1NC[C@@H](Cc2ccccc2)C(O)=C1C(=O)Nc1ccc(-n2ccnc2)cc1 100076034 VMTNAWQFWSOGFD-MRXNPFEDSA-N 388.427 2.612 0 1 GFAF CCCCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O 1911571142 RDLRLKRSYAOYCC-UHFFFAOYSA-N 383.540 2.877 0 1 GFAF Cc1nn(-c2cc3nc(SCC(=O)O)sc3cc2F)c(=O)n1C(F)F 103195211 FJVZRGNWLSBJRY-UHFFFAOYSA-N 390.368 2.663 0 1 GFAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NCCO)[C@@H]3CC[C@H]12 26390632 RYYSYRHPOPBMEU-SFNUOOIRSA-N 376.541 2.575 0 1 GFAF CN(C)S(=O)(=O)Nc1ccc(C(=O)NCCCCc2ccccc2)cc1 27417765 OINFXOGTWMPPKC-UHFFFAOYSA-N 375.494 2.658 0 1 GFAF CCn1c2c(c3ccccc31)S(=O)(=O)N(C)C(C(=O)Nc1ccccn1)=C2O 39164034 MCPWMJBIBKJOJU-UHFFFAOYSA-N 398.444 2.556 0 1 GFAF CCOC(=O)CNC(=O)c1cccnc1Sc1cc(OC)ccc1OC 39263183 CNFKULIENMLWDF-UHFFFAOYSA-N 376.434 2.543 0 1 GFAF O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)N1CCCCC1 84632333 RKXSEZYCUSBSOU-UHFFFAOYSA-N 386.452 2.609 0 1 GFAF Cn1c(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2ccc(O)cc21 149225443 OIEQYSVXVNGAOF-INIZCTEOSA-N 383.429 2.752 0 1 GFAF O=C(NC[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2F)cc1)c1ccccn1 95895419 KNXYZMGFNOLZDW-FSSWDIPSSA-N 391.446 2.734 0 1 GFAF O=C(COc1cc(=O)oc2ccccc12)NC1CCN(Cc2ccccc2)CC1 96271529 JFNNVUVYWSVONQ-UHFFFAOYSA-N 392.455 2.953 0 1 GFAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 299885045 UWECVXKHSTXTSR-YQVWRLOYSA-N 387.505 2.793 0 1 GFAF CC1=C(c2ccc3nc(-c4cccc(NC(N)=O)c4C)[nH]c3c2)NNC(=O)C1 587238643 FBYRIEGLJBIZEJ-UHFFFAOYSA-N 376.420 2.784 0 1 GFAF CC1(C)OC(=O)C([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O1 587619806 ZJHMMCGBUHZJFO-SPLOXXLWSA-N 398.367 2.565 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](c1nc3ccccc3[nH]1)S(C)(=O)=O)O2 587410212 WCRDKNMCOBBOQS-FUHWJXTLSA-N 385.445 2.573 0 1 GFAF O=C(O)C[C@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cccn21 13781426 RAHLNQZUBSFSOA-ZDUSSCGKSA-N 395.184 2.588 0 1 GFAF COc1ccc(-c2oc3c(O)c(OC)c(OC)c(O)c3c(=O)c2O)cc1OC 15271763 ICFGGMFYTLSHHS-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic COC1CCC2(CC1)Cc1ccc(OC(F)(F)F)cc1[C@]21N=C(N)N(C)C1=O 150126174 HTVRURNDXMAFIX-ZZHQXOFYSA-N 397.397 2.699 0 1 GFAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1C(OC)OC 169721213 BSXTWOPWXFSUSL-HZPDHXFCSA-N 389.448 2.850 0 1 GFAF Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCOCC5)n4)cc23)cc1 164790998 MOJBIVFVIRUSHX-UHFFFAOYSA-N 378.411 2.986 0 1 GFAF CC(C)N[C@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 165439133 UHFOOJOVKSJDJK-IYBDPMFKSA-N 385.430 2.861 0 1 GFAF O=C(Nc1ccc(C(=O)N2C[C@@H]3COC[C@H]3C2)cc1)N1Cc2ccccc2C1 166527132 GADLDBMQWLXTGR-RTBURBONSA-N 377.444 2.953 0 1 GFAF CC(C)c1ccc(-n2nc(COc3ccc(F)c(C(N)=O)c3F)oc2=O)cc1 1857535859 IKSUYXDKBWOTRZ-UHFFFAOYSA-N 389.358 2.905 0 1 GFAF NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc3c(c2)OCO3)cc1 3814724 CJQBFAVDDWNVHT-UHFFFAOYSA-N 393.371 2.853 0 1 GFAF CCOP(=O)(OCC)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 59149326 ZAYKIPSMJBFAQH-GVDBMIGSSA-N 376.434 2.946 0 1 GFAF O=C(/C=C/Sc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O 26937409 ZWLQEFDGJPXFFU-ZHACJKMWSA-N 375.427 2.638 0 1 GFAF Cc1ccc2nc(C[C@H]3CN(S(=O)(=O)C(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305963 WNRZZCICWXKXES-CABCVRRESA-N 393.509 2.565 0 1 GFAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2cccc3ccccc23)C1 27898312 WDOUSOAMPWULRN-BXWFABGCSA-N 383.517 2.599 0 1 GFAF CN1C[C@H](c2cn(C)cn2)[C@@H]([C@@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 2356686938 XYZPRKPYRIPTFB-GIVPXCGWSA-N 389.455 2.981 0 1 GFAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@@H]3C=C(CO)[C@@]12O 2356722836 REHNZVPVFKWZNO-JQJOEXNISA-N 388.460 2.667 0 1 GFAF O=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4cccc(F)c4)n3)cc21 71333222 HSTAZHAJDWPDQD-UHFFFAOYSA-N 377.423 2.642 0 1 GFAF CC/C=C/c1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 40412352 CMLDTYZDQMSGRA-SFGAXHGTSA-N 382.416 2.720 0 1 GFAF COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 195383177 LZQNFYIYZIDOBD-YRNRMSPPSA-N 390.468 2.955 0 1 GFAF CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](Cc4occc4[C@@]3(C)O)[C@@]12C 222164716 USEOLSCIUKXXRY-OMDSSEKSSA-N 392.492 2.529 0 1 GFAF CCN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)C1CC1)C(=O)NC1CCCC1 95895178 PGJWGINDJVJJKY-ACRUOGEOSA-N 399.535 2.726 0 1 GFAF O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 95893526 UUOOIEDXIALFME-XUVXKRRUSA-N 395.434 2.943 0 1 GFAF CN1CCN(C(=O)[C@@H]2C[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)CC1 299870371 VNXBDWUNAYPTRF-YXAINIPJSA-N 398.547 2.609 0 1 GFAF in-vivo Oc1nc(=Cc2ccc(OCc3ccccc3)cn2)c(O)nc1=Cc1ccccc1 299814890 VWXCKVBYLVZUDU-UHFFFAOYSA-N 397.434 2.519 0 1 GFAF CNC(=O)Oc1ccc(-c2cc(=O)n3nc(C)c(-c4ccccn4)c3[nH]2)cc1 653680399 RMEAJGSQHORPAZ-UHFFFAOYSA-N 375.388 2.778 0 1 GFAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)nc(O)nc3[nH]2)C[C@@H]2CCCC[C@H]21 587024979 DFPWNJZTQUIOHR-XQQFMLRXSA-N 399.476 2.901 0 1 GFAF Cc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587820149 AEPMWYRIGJNEDM-VOJFVSQTSA-N 380.257 2.985 0 1 GFAF C[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)N1CCOCC1 587661114 MRWYPVVDJXUGKA-AWEZNQCLSA-N 381.407 2.564 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](CCC(=O)OC)C(=O)OC)CC2=O 587480271 OIMNDZWGDXHDCG-XOBRGWDASA-N 378.421 2.811 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C)(C(C(=O)OCC)C(=O)OCC)CC2=O 587478508 GFXWMJJOQZBWGT-HXUWFJFHSA-N 378.421 2.811 0 1 GFAF COc1cc2c(cc1OC)[C@@]1(CCN(Cc3cccnc3)C(=O)C1)N(C)[C@H](C)C2 962633152 SWLGSCBFNJMZEB-MWTRTKDXSA-N 395.503 2.993 0 1 GFAF CCN(C[C@@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21)S(C)(=O)=O 149596776 COFXALPWFBPCHB-CQSZACIVSA-N 382.432 2.715 0 1 GFAF COc1cc(C[C@@H]2COC[C@@H]2[C@@H](O)c2cc(OC)c(O)c(OC)c2)ccc1O 14916883 XYTZIYNRZGBMDA-SIFCLUCFSA-N 390.432 2.662 0 1 GFAF biogenic CC1=NC(C(=O)O)=C(C(=O)O)[C@@H](c2ccccc2Cl)[C@H]1C(=O)OC(C)C 169717753 KJBHUDXNQBUFOA-STQMWFEESA-N 379.796 2.889 0 1 GFAF CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)N(C)C)c2c[nH]nc2c1 1857587316 QHSGPVFWACSQCJ-UHFFFAOYSA-N 378.429 2.855 0 1 GFAF Cn1cc2c3c(c[nH]c(=O)c31)CN(CC1CC1)c1ccc(CS(C)(=O)=O)cc1-2 221045132 PIHQGPVOVWMLAH-UHFFFAOYSA-N 397.500 2.808 0 1 GFAF O=C(NC[C@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774890 CPAALVVHZMNOPD-NSHDSACASA-N 378.837 2.807 0 1 GFAF COc1cc2c(cc1OC)[C@@H](C(=O)NC1CC1)[C@@H]1c3ccccc3CCN1C2=O 2456062 NWFOQGJCXNNULB-RTWAWAEBSA-N 392.455 2.819 0 3 GFAF N=C(N)N1CCc2ccc(OCC3CCN(c4cccc(N)c4)CC3)cc2C1 28348334 IHLZVDWKJJSGGE-UHFFFAOYSA-N 379.508 2.816 0 1 GFAF CC(=O)N1CC[C@@H]2[C@@H]1C(=O)N(c1cccc(F)c1)C(=O)N2Cc1cccs1 25229181 IDMHHCRIJBNQMS-IAGOWNOFSA-N 387.436 2.845 0 1 GFAF biogenic Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3F)C2=O)cn1 115730429 DHTBKZDXNSKLRT-UHFFFAOYSA-N 383.383 2.644 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(CCc3cccc(F)c3)C2=O)cn1 115730740 WUACRNPSFLXHPH-UHFFFAOYSA-N 397.410 2.687 0 1 GFAF O[C@H]1CCN(Cc2nc(C3(O)CCN(CC4CCCCC4)CC3)cs2)C1 2356709544 JANYLXGIGDZVSM-KRWDZBQOSA-N 379.570 2.573 0 1 GFAF COC(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 211176067 ZBTJUODXIFKNPD-UHFFFAOYSA-N 375.287 2.923 0 1 GFAF O=C(NCc1cccs1)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 199248693 CYFUTLVKZOXYIG-KRWDZBQOSA-N 383.473 2.770 0 3 GFAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCOc1ccccc1 82199894 WKHPUJNCZMOUTC-ZIOCCJBISA-N 388.508 2.934 0 1 GFAF O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCCC3)nc(Cl)nc21 84605082 KYVGFSDVXJJOGC-JHOKLZQASA-N 377.876 2.527 0 1 GFAF CN(C)C(=O)c1ccccc1Nc1cnc2[nH]cc(C(=O)NC(C)(C)C)c2n1 145129983 DKKNFTQTTHRINS-UHFFFAOYSA-N 380.452 2.932 0 1 GFAF CC1(C)Oc2ccc(-c3ccc4[nH]ncc4c3)cc2[C@@]2(COC(N)=N2)C12COC2 149217432 WSZIQFROVOJHOO-QFIPXVFZSA-N 390.443 2.958 0 1 GFAF C[C@@H]1CN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C[C@@H](C)O1 146169249 JGMBEPRRCCMDEG-CHWSQXEVSA-N 381.423 2.575 0 1 GFAF CCN(CC)CCNC(=O)[C@@H]1C(C)=NC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C 95598681 WZIXOZNAMZUGQS-PGNDWZGLSA-N 398.482 2.984 0 1 GFAF COc1cc2c(c(OC)c1O)[C@H](CO)[C@H](c1cc(OC)c(OC)c(OC)c1)O2 13480642 INACKEYIIKMUED-VOJFVSQTSA-N 392.404 2.645 0 1 GFAF biogenic CCN(CC)C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 13883580 OOYXYRNOEJELJU-LJQANCHMSA-N 389.521 2.871 0 1 GFAF Cc1cc(C)n(-c2ccc(S(=O)(=O)NC(=O)NCc3ccccc3)cc2)n1 169336390 LGYZKDQRFBOHGO-UHFFFAOYSA-N 384.461 2.677 0 1 GFAF O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)C1CC1 169341970 PXTQLJGFLZXQRX-UHFFFAOYSA-N 377.491 2.943 0 1 GFAF C/C(=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O)CO 113244167 KCYKVBCVFBSOKZ-WOTHVCDCSA-N 396.439 2.728 0 1 GFAF C[C@@](O)(CN1CCCS1(=O)=O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148601909 PLSFTUALDRVFLQ-LJQANCHMSA-N 394.443 2.859 0 1 GFAF O=C(COc1ccccc1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 2356298786 AZBFAVUDNBOAJK-INIZCTEOSA-N 396.365 2.786 0 1 GFAF C[C@@H](n1ncc2cc(N)ccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951796 NJPXGABTFHAZOJ-CWTRNNRKSA-N 384.390 2.637 0 1 GFAF O=C(O)C(c1c(O)oc2ccccc2c1=O)c1c(O)oc2ccccc2c1=O 100501109 ZWSHTMXMYFUOMP-UHFFFAOYSA-N 380.308 2.527 0 1 GFAF C[C@H](O)[C@@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113653007 FKNJKNHEBUMLTR-QWHCGFSZSA-N 385.855 2.842 0 1 GFAF CC1(C)C[C@@]2(CN(S(=O)(=O)c3ccccc3)C(=O)CO2)c2ccccc2O1 45283743 VWADZJRJAUWBAG-HXUWFJFHSA-N 387.457 2.691 0 1 GFAF COC(=O)C1=C2Nc3cc(OC)ccc3[C@]23CCN2CCC[C@](C(C)=O)(C1)[C@@H]23 138631856 UPEIYBJSTNGANI-YPAWHYETSA-N 382.460 2.633 0 1 GFAF COc1cc(-c2cn([C@@H]3CC(C)(C)CCNC3=O)nn2)ccc1-n1cnc(C)c1 84633620 TZFGTKRUKLTQQK-GOSISDBHSA-N 394.479 2.925 0 1 GFAF O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(F)cc1F 40980580 BAJSEGWRRHLOBW-UHFFFAOYSA-N 380.372 2.806 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1)c1c[nH]c2ccccc12 45254066 IXNBAVLWWBFPED-UHFFFAOYSA-N 395.846 2.989 0 1 GFAF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN(C)C 82070250 IDDPZKKGAHYAKL-MRXNPFEDSA-N 375.494 2.669 0 1 GFAF CCCCOC(=O)COC(=O)CN(C)C(=O)c1coc(-c2ccccc2C)n1 82074053 BDTZHMRQSGCXHT-UHFFFAOYSA-N 388.420 2.609 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(=O)C3CC3)N(C(=O)C3CC3)[C@H]2CO)cc1 95895389 MWNWFHGTSYEWEH-HENKAZQNSA-N 382.504 2.653 0 1 GFAF CCCc1c(O)ccc2c1OC(CC(=O)OCC)(CC(=O)OCC)CC2=O 587486255 YZTPMBZCZLAGCF-UHFFFAOYSA-N 378.421 2.955 0 1 GFAF Cc1ccc(N2CC[C@](O)(C(=O)NCc3cc(F)cc(Cl)c3)C2=O)cc1 145657050 IQGKHGMQRRTHCW-IBGZPJMESA-N 376.815 2.572 0 1 GFAF COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169293772 HPUXACWYEUDBLN-QLDGJZPUSA-N 396.418 2.516 0 1 GFAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1coc(-c2ccccc2)n1 1857752191 XAMORUDPAZIYIL-INIZCTEOSA-N 382.420 2.536 0 1 GFAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCC(C)(C)CO 767530 SOKKEVOALUUCJV-UYAOXDASSA-N 382.460 2.922 0 1 GFAF Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1Br 4564529 SYLKCKMAJPWGMA-OJXGSEEGSA-N 389.249 2.503 0 1 GFAF O=C(C1CC2(CCN(C3CCOCC3)CC2)C1)N1CCCN(C2CCC2)CC1 103243029 ZPBDVNRFFIOWIL-UHFFFAOYSA-N 389.584 2.744 0 1 GFAF CCCCn1ncc(C(=O)Nc2cc(C(=O)Nc3ccnn3C)ccc2C)c1N 64560761 LDJYHIVCWCAMMT-UHFFFAOYSA-N 395.467 2.812 0 1 GFAF O=C(O)c1cn(C2CC2)c2cc(N3CCN(c4ccccn4)CC3)ccc2c1=O 64528380 MBTIAATXMJKWFA-UHFFFAOYSA-N 390.443 2.756 0 1 GFAF CC(=O)C[C@@H]1C2=C(O)[C@@H](CC[C@H](O)C[C@@H]3C=C[C@@H]4C(=O)[C@H](C)C[C@@H]4[C@H]13)OC2=O 2356687807 CCFPLORINZAHKY-PICRPSRDSA-N 388.460 2.508 0 1 GFAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](C(=O)O)[C@H]1[C@H](O)C3 2356706197 WQQALAOCZONREL-RMCIXVLJSA-N 376.493 2.941 0 1 GFAF CC(C)C(=O)NC1CCN(CCNC(=O)c2nn(C(C)C)c3ccccc23)CC1 26145635 ARGFRWQIAIEGJY-UHFFFAOYSA-N 399.539 2.584 0 1 GFAF COc1ccc(CCn2c3c(c(=O)[nH]c2=S)CN(C(C)C)CN3)cc1OC 36380773 RPFKIFDEHDLJIO-UHFFFAOYSA-N 390.509 2.759 0 1 GFAF Cc1nc(-n2nc(C)nc2C)cc(C2(O)CC(c3nc4ccccc4n3C)C2)n1 213571065 ZGVBVZBTPMOZPJ-UHFFFAOYSA-N 389.463 2.634 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@@]2(OC)CC[C@@](C)(/C=C3/OC(=O)C(CO)=C31)O2 138569591 KZMMOGWSMBTTFY-ZDJQBZBMSA-N 392.448 2.546 0 1 GFAF C/C=C1/CN2COC[C@]3(C(=O)OC)[C@H]1CC(=O)c1[nH]c4ccccc4c1C[C@H]23 86033119 REDFKTMHKJZVCQ-KIAPANJNSA-N 380.444 2.691 0 1 GFAF O=c1[nH]c2ccc(N3CCC[C@H](CO)C3)nc2nc1CSCc1ccccc1 82231531 FKTQOSLNIYPQOD-INIZCTEOSA-N 396.516 2.960 0 1 GFAF COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCC3CC3)ncnc21 82179403 KFMXVASZSWMPQW-UHFFFAOYSA-N 381.436 2.748 0 1 GFAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2-c2cccc(CO)c2)C1 140225797 KQBFMNYTQVRHSP-UHFFFAOYSA-N 385.427 2.752 0 1 GFAF O=C1c2ccccc2C(=O)N1C[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1 95785276 IMIORRHGWRJWKU-GOSISDBHSA-N 394.471 2.566 0 1 GFAF CC1(C)Oc2ccc(-c3cc(O)cc(F)c3)cc2[C@]2(COC(N)=N2)C12COC2 148953165 XLOPHQHRSBOSNE-OAQYLSRUSA-N 384.407 2.926 0 1 GFAF O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccc(F)c1 95894075 RXRQVEZQDJTXHR-XUVXKRRUSA-N 380.419 2.551 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC=C2C1=CC(=O)OC1 255201941 CFKJENQZESXSLH-MEQITTNISA-N 388.504 2.639 0 1 GFAF CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCCC2)cc1 43526981 TZRSGXQWHYFBMK-SVFBPWRDSA-N 384.524 2.817 0 1 GFAF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2nc[nH]n2)N1 587792545 OTAGVGPRIWGEQE-BTDLBPIBSA-N 388.244 2.927 0 1 GFAF Cc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587610032 PFOUWYJNKUUMSE-GCJKJVERSA-N 378.380 2.868 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](C1CCN(S(=O)(=O)C3CC3)CC1)CC2=O 587487524 OKGQEYPPBDQQLV-IBGZPJMESA-N 393.505 2.883 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N2CCOCC2)N1 587768723 VYAQOZCUESCVKP-GTNSWQLSSA-N 385.277 2.587 0 1 GFAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C(F)(F)C1 587132501 RFOSALFSQUNRRX-NSHDSACASA-N 391.382 2.508 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ncc[nH]c-2n1 586934933 DIPXYPNXMPKCGO-CYBMUJFWSA-N 391.522 2.694 0 1 GFAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(=N)N)cc2[nH]1 587183074 VFEKBCNORKHAEV-MRVPVSSYSA-N 394.220 2.566 0 1 GFAF O=C(N/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 5155559 MFAATXPIDLTGPQ-KJCUYJGMSA-N 382.391 2.672 0 1 GFAF CC(C)c1nc(C(=O)NCC2[C@H]3CN(C4CCOCC4)C[C@H]23)n2ccccc12 1857640600 HPHCILUBWLALNJ-QZTJIDSGSA-N 382.508 2.544 0 1 GFAF O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(Cc2ccccc2)CC1 1503111 NQCVALFRSYNOCL-UHFFFAOYSA-N 378.520 2.638 0 1 GFAF NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(=O)O)c12 1543785 UWZIPJAIHVSDQU-UHFFFAOYSA-N 392.411 2.698 0 1 GFAF CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 2469316 QZHQZIQMDAHUCK-RTWAWAEBSA-N 390.487 2.756 0 1 GFAF C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 3919197 BVBIXDIVUVDTEU-CABCVRRESA-N 378.494 2.511 0 1 GFAF O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)Nc1ccc(F)c(Cl)c1 6936004 RISLJRZASYNNJD-UHFFFAOYSA-N 389.818 2.751 0 1 GFAF Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cccc(C(N)=O)c2)cc1 103281436 AWBFLZBJDMPRMM-UHFFFAOYSA-N 385.445 2.536 0 1 GFAF CCCCn1c(=O)c(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c(O)c2cccnc21 100759267 DIIRBIJCNVSJFE-YIONKMFJSA-N 385.464 2.684 0 1 GFAF CCOc1nc2c(n1Cc1ccc(O)cc1)C(=O)N(CC)C1=N[C@@H]3CCC[C@@H]3N12 28758551 XILRYMOFDGAKEP-CVEARBPZSA-N 395.463 2.609 0 1 GFAF COCCn1c(SCC(=O)N2CCCC2)nc2c3ccccc3nc-2c1O 101805414 PVBLWMHGXHFZBL-UHFFFAOYSA-N 386.477 2.603 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc(CN3CCN(C)CC3)c1)C2 28339385 UNRGUOAZKUZHRW-JOCHJYFZSA-N 396.487 2.638 0 1 GFAF CN(C)[C@@H]1CCCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)C1 62225031 IXIZVBISXXXRIK-RTWAWAEBSA-N 394.498 2.976 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@H](OC)[C@]2(C)[C@H]1C 2356611183 NPOXQTDQWIYLML-SNOUBDJWSA-N 376.449 2.818 0 1 GFAF COc1cnc2c(NCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1 139827513 KBLLBUBXQNBICQ-UHFFFAOYSA-N 384.403 2.750 0 1 GFAF Nc1ccn(Cc2ccc(CNC(=O)c3ccccc3)c3ccccc23)c(=O)n1 137582643 ACZGBOIUPZPVFS-UHFFFAOYSA-N 384.439 2.957 0 1 GFAF CN(C)CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069559 JEYCNUDOQVYBTL-INIZCTEOSA-N 387.505 2.767 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1 82146991 OBRVLIHYEXZXBE-UHFFFAOYSA-N 381.480 2.626 0 1 GFAF CO[C@H]1CC[C@@]2(C)[C@H](OC(C)=O)C(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](C)[C@H]1[C@@]32O 40935079 PKPLUXCTSIEECK-BFGMNKOTSA-N 382.497 2.708 0 1 GFAF COC(=O)C[C@H]1CO[C@@](C)(O)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 238775710 JFXKBFPAEBJNEN-OHNMBIEGSA-N 384.476 2.621 0 1 GFAF CC(=O)O[C@H]([C@H](O)C/C(C)=C/CC/C(C)=C\CC/C(=C\CO)CO)C(C)(C)O 238786393 ZJXUGIHNAZCNTF-DXVRNDBESA-N 398.540 2.804 0 1 GFAF COc1cc(-c2cc([C@H]3CC[C@H](O)CC3)n3ncnc(N)c23)cc(F)c1CO 261165807 RWORSPWJUTVGBW-AULYBMBSSA-N 386.427 2.637 0 1 GFAF COc1cccc(OC[C@H](O)CN2CCC(N3Cc4ccccc4C3=O)CC2)c1 473145194 NCDRTMQMVMDRCU-LJQANCHMSA-N 396.487 2.555 0 1 GFAF C[C@H]1C[C@H](n2c(=O)[nH]c3ccccc32)CCN1CCNC(=O)c1ccc(F)cc1 299836508 NMSOMEDMEITKLR-MAUKXSAKSA-N 396.466 2.924 0 1 GFAF COc1ccc(NC(=O)[C@@H](C)Nc2nc(O)c3cnn(CC(C)C)c3n2)cc1 299820817 HYAURFVVGMGLEA-GFCCVEGCSA-N 384.440 2.636 0 1 GFAF CC(=O)N1CCN(c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587400846 RGTJVFKQEAMXMX-NRFANRHFSA-N 379.460 2.952 0 1 GFAF CCN1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)OC)C1 587763548 ZUYQWFBGOCCLHB-FNFWKMNBSA-N 399.304 2.833 0 1 GFAF Cc1c(OCc2ccc3c(O)nc(O)nc3n2)ccc2c3c(c(=O)oc12)CCC3 587562803 KYNDOTMYJVGBPG-UHFFFAOYSA-N 391.383 2.919 0 1 GFAF COC(=O)c1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cn1 587124584 MXHCHTXUGCMWMJ-KRTXAFLBSA-N 380.330 2.916 0 1 GFAF CCOC(=O)c1[nH]cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591051 UGVMRLNNMNMUFL-LIRRHRJNSA-N 380.356 2.995 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](C)NC(=O)CCC(=O)O)O2 587386390 ISAOBEVIFLPAHE-RCDICMHDSA-N 396.443 2.807 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2 587395503 NIKTXYUSVSPXEV-VLIAUNLRSA-N 390.436 2.765 0 1 GFAF COC(=O)c1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587586639 JDFVWNVRPMKELJ-VQIMIIECSA-N 378.340 2.672 0 1 GFAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)c2ccccc2[C@@H]2CN(C)CC[C@@H]21 963472273 PQCVMSDACUBLKB-JPHBTFASSA-N 378.472 2.592 0 1 GFAF C[C@@H]1CN(c2ccc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cn2)C[C@@H](C)O1 962897478 CWXDXBGMVWQHKJ-VWFQAZBRSA-N 385.439 2.523 0 1 GFAF CCOc1ccc(Cc2cc([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)ccc2Cl)cc1 1772645637 YCEUTZKYUQXUCF-UUVDMVIRSA-N 392.879 2.872 0 1 GFAF COc1cccc2c1c(C(=O)C(=O)Nc1cnn[nH]1)cn2Cc1ccc(F)cc1 1772599544 KTDJDMGCPCNDDG-UHFFFAOYSA-N 393.378 2.777 0 1 GFAF Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2c(C)n1 146660133 GGBMOXHXNCDOPL-UHFFFAOYSA-N 389.459 2.871 0 1 GFAF COC(=O)C(=O)CC(=O)c1cc2cc3c(cc2n1Cc1ccccc1)OCO3 101018445 WHLAGEUKIWEEAQ-UHFFFAOYSA-N 379.368 2.733 0 1 GFAF CC(C)NC[C@H](O)COc1ccc(OCCOCCOc2ccccc2)cc1 29338821 VFUXBLLNQRKMFD-IBGZPJMESA-N 389.492 2.899 0 1 GFAF CC1(C)[C@@H](O)CC[C@]2(C)O[C@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@H]12 2356866113 VMFJYKZEDLREMS-SQBLYHGDSA-N 392.448 2.860 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@H]2CN3C=CC4=C5C=CC(OC)=C[C]5NC4=C3C[C@@H]12 2356867193 ASAUPPHTXKGODW-CSMYWGQOSA-N 379.436 2.671 0 1 GFAF CC[C@H](C(=O)OC)c1cc(=O)n2c(c1C(=O)OC)[C@@H]1Cc3ccccc3C[C@@H]1C2 38626866 XYBNRRYKRHDDET-IXDOHACOSA-N 395.455 2.814 0 1 GFAF CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)cn1 211040669 KSUJTDNWWVQOFC-KRWDZBQOSA-N 388.479 2.626 0 1 GFAF CCn1cc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2 73296430 XPGVAVCVJAYJMZ-UHFFFAOYSA-N 393.447 2.728 0 1 GFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2Cc2ccc(OC)c(OC)c2)C1 36380990 FBESZLCTQRAXBF-UHFFFAOYSA-N 376.482 2.566 0 1 GFAF COc1cc2c(c(OC)c1O)[C@@H](CO)[C@@H](c1cc(OC)c(OC)c(OC)c1)O2 13480639 INACKEYIIKMUED-ADLMAVQZSA-N 392.404 2.645 0 1 GFAF biogenic CC(C)CNC(=O)c1cnc(NCCCn2ccnc2)nc1NC1CCCC1 45302876 NPEAVZFPOHUTGN-UHFFFAOYSA-N 385.516 2.916 0 1 GFAF C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCCCN(C)C 82084041 BXTSHFHJZYGUOY-AWEZNQCLSA-N 390.509 2.890 0 1 GFAF C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 45189489 ZYNKPRJYGBZGAV-NFAWXSAZSA-N 394.459 2.608 0 1 GFAF COc1cc([C@@H]2CC(c3c(O)c4ccccc4oc3=O)=NN2)cc(OC)c1OC 49069381 OWMPJCPTCRXATA-ZDUSSCGKSA-N 396.399 2.963 0 1 GFAF CC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CNC(=O)C1CC1 95895077 BLSCEVGOPDFIED-FDFHNCONSA-N 396.462 2.694 0 1 GFAF CCC(=O)N1[C@H](CN(C)C(=O)c2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1CO 95895060 JGTZRTGOYOMWOS-SVFBPWRDSA-N 384.451 2.663 0 1 GFAF C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 618005410 ICWYVWJVCSRLQT-MBOZVWFJSA-N 387.524 2.902 0 1 GFAF COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O 299862716 NRKJPTFVGVSLQX-UHFFFAOYSA-N 388.449 2.646 0 1 GFAF CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1 299835343 DLOSSOASAIISHQ-UHFFFAOYSA-N 384.255 2.713 0 1 GFAF COc1cc2c3c(c1)O[C@@H](C(=O)c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O 587444407 OOAMYGWRLLZKKY-HTAPYJJXSA-N 379.412 2.531 0 1 GFAF Oc1ccc(C2(c3nc4nc(Br)c[nH]c-4n3)CCOCC2)cc1 586913507 PMGKUILPPYULAU-UHFFFAOYSA-N 375.226 2.869 0 1 GFAF CCOc1ccc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401718 XBPKXGGUESEABG-QFIPXVFZSA-N 397.427 2.969 0 1 GFAF CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423903 WDJROANGORKWAJ-CWZYDYOQSA-N 382.359 2.930 0 1 GFAF CN(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169775 KJDDYXMYZVOPRO-UHFFFAOYSA-N 388.346 2.937 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NS(C)(=O)=O)c(F)c1)[C@@H](C2)C3=O 587425552 DXNBOCSGDBCVKW-ORAYPTAESA-N 391.420 2.869 0 1 GFAF Cc1nc([C@@H](CN)NC(=O)c2ccc(-c3ccc(F)c(F)c3)[nH]2)sc1CO 1772613419 SZESHJBVXSZFHI-OAHLLOKOSA-N 392.431 2.647 0 1 GFAF O=C(NCc1ccc(I)cc1)OCCCc1c[nH]cn1 13747077 BUCKBBFABVVKHW-UHFFFAOYSA-N 385.205 2.873 0 1 GFAF CC(C)CCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 169364486 LJJDMVUTPBDCCC-UGNRZPKXSA-N 388.895 2.784 0 1 GFAF CN(C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 101141116 UKTYHCYZFWBGRW-IYARVYRRSA-N 393.553 2.778 0 1 GFAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)co1 101112666 SENJTLMDCKVBAA-CYBMUJFWSA-N 397.431 2.898 0 1 GFAF O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1 28338893 YORRFXCSZXGULE-UHFFFAOYSA-N 381.432 2.936 0 1 GFAF N[C@H](Cc1ccc(F)cc1)C(=O)NCC[C@@H](Cn1cncn1)C1CCCCC1 29126514 XDPKKXZLQXHONB-AZUAARDMSA-N 387.503 2.690 0 1 GFAF CC(=O)[C@@H]1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(O)cc1 110650300 VIDKWVJJWDHXJJ-PMACEKPBSA-N 376.412 2.774 0 1 GFAF COC(=O)[C@@H](Cc1ccc(OC)c(OC)c1)NC(=O)C=Cc1ccc(OC)cc1 2356625253 FXMITKCQEXIIPZ-GOSISDBHSA-N 399.443 2.626 0 1 GFAF O=C(Nc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1)c1cocn1 219748509 XBQQFMSYFSIDKY-IBGZPJMESA-N 393.443 2.725 0 1 GFAF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2N[C@@H]1C[C@H]2C 73197406 CGAANLXGRKUANV-YGARTUKASA-N 385.245 2.934 0 1 GFAF NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2OCC2CCNCC2)cc1 40940483 FXFIQQYBRIHTQJ-UHFFFAOYSA-N 397.500 2.928 0 1 GFAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(S(C)(=O)=O)C3)cc12 226067040 JRULDPYFBARTPK-UHFFFAOYSA-N 375.425 2.736 0 1 GFAF O=C(c1cc(F)ccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](CNc1ccccn1)C2 226065088 XFESSYNYACUHDK-HFTRVMKXSA-N 392.438 2.907 0 1 GFAF C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@@H](C)C(=O)N1CCN(C)CC1)CC2 25204780 KKGYPARBZLTFDD-GTCCEBARSA-N 386.536 2.874 0 1 GFAF biogenic CN[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 143345662 VZSIGWGZEMFECR-BFUOFWGJSA-N 376.378 2.899 0 1 GFAF CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC(C)C)C(=O)c1ccccn1 95895965 JYEONRJNSJJOQW-FKBYEOEOSA-N 395.503 2.555 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C(=O)c1ccccc1)C(C)C 95895343 XRUWEPTYFYYESG-VSKRKVRLSA-N 380.488 2.913 0 1 GFAF COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)c(C)c2)cc1 261097539 FRHSQIGKTGQAGV-SFHVURJKSA-N 392.452 2.935 0 1 GFAF CCCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587970438 HMCDSTRVOKHMNV-ZSBIGDGJSA-N 383.198 2.613 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(=N)[nH]cc32)N1 587748992 ZHUQVZFOQKRDOV-XLFHBGCDSA-N 377.261 2.905 0 1 GFAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(C(N)=O)c3[nH]2)cc1 587039731 IPIOHRKTYDMNSC-INIZCTEOSA-N 396.472 2.948 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1CCOCC1)O2 587402084 XLEHUMGGLHIBEB-OAQYLSRUSA-N 382.460 2.995 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 586945852 CDBXTSZXYGDXFS-GFCCVEGCSA-N 392.868 2.736 0 1 GFAF COC(=O)c1cc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2cn1 587245279 SOPBZZJHMJAGKD-UHFFFAOYSA-N 391.387 2.884 0 1 GFAF COc1ccc2c(c1OC)[C@@H](c1cc(C)n(-n3cnnc3)c1C)N(C)[C@@H](C)C2 962638653 XENKPIAHMVVZCE-RNODOKPDSA-N 381.480 2.991 0 1 GFAF CN1CC[C@@H](c2c(O)cc(O)c3c(O)c/c(=N\c4ccccc4)oc23)[C@@H](O)C1 14945075 BAKDMSIYUPKGBK-CXQSCINTSA-N 382.416 2.562 0 1 GFAF COc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1 169345912 YMKFNTFRSBDTKS-AWNIVKPZSA-N 393.487 2.759 0 1 GFAF CC1=NC(C(=O)O)=C(C(=O)O)[C@H](c2ccccc2Cl)[C@H]1C(=O)OC(C)C 169717754 KJBHUDXNQBUFOA-QWHCGFSZSA-N 379.796 2.889 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC3(CCCOC3)C2)cc1)N1Cc2ccncc2C1 167877326 WQJINVMVEZQUHU-UHFFFAOYSA-N 392.459 2.882 0 1 GFAF CCNC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)[C@@H]1C 27423242 BKLWFIKTPMCAMN-MNOVXSKESA-N 391.418 2.747 0 1 GFAF O=C1Nc2ccccc2C2=N[C@H](CNC3CCN(Cc4ccccc4)CC3)CN12 22940660 LXMVTGMMESIRBY-LJQANCHMSA-N 389.503 2.917 0 1 GFAF NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCC[C@@H](N)C2)c1 62224835 WMFOYAZROOMVDL-QGZVFWFLSA-N 394.523 2.915 0 1 GFAF CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC(C)C)ccc3C)c2c1C 64491945 VJMLVLBOEFYRPP-UHFFFAOYSA-N 394.479 2.978 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(OC)C[C@H]12 2356663381 CZMOHCGAILDDJJ-OWELULFFSA-N 378.465 2.897 0 1 GFAF CCCNC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2)C[C@H]1CC 2356831103 JMCUEDCDTNWNMQ-CVEARBPZSA-N 382.526 2.648 0 1 GFAF O=C(Nc1ccccc1)[C@@H]1O[C@H](CCN2CCc3ccccc3C2)CC[C@H]1O 2356875323 ZOTIREVYRACZLK-BHDDXSALSA-N 380.488 2.982 0 1 GFAF CN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4cccc(F)c4)cc3-2)C1 72107728 WJYYYNSFUNMPRF-UHFFFAOYSA-N 388.446 2.908 0 1 GFAF CO[C@H]1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)C1 225642076 MJYOCNGXQSZSLO-HNNXBMFYSA-N 375.436 2.646 0 1 GFAF CN(C)CCCCOC(=O)CN(C)C(=O)c1csc(Nc2ccccc2)n1 82085854 BERJVIRFZMXIIF-UHFFFAOYSA-N 390.509 2.844 0 1 GFAF COC(=O)CS(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1 40801522 MLPLFTXFZNZDTN-UHFFFAOYSA-N 386.429 2.729 0 1 GFAF COc1cc(C#N)ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1 224093845 XGOVUYJSHGZSRL-UHFFFAOYSA-N 388.431 2.875 0 1 GFAF Cc1ncsc1CCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](C)CN2 82210885 ONAQGCTYJBVEBY-CYBMUJFWSA-N 397.504 2.616 0 1 GFAF COc1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C2CC(O)C2)cn1 230492322 SSWGJGPDPSKUCM-NLPFYKDJSA-N 378.432 2.518 0 1 GFAF CN1CCC[C@@H](Nc2ccnc(-c3c[nH]c4ccc(-c5nnc(N)o5)cc34)n2)C1 145422649 WIAJWDVLVSAMRU-CYBMUJFWSA-N 390.451 2.763 0 1 GFAF Cc1ccc2c3c(c4c(nc13)CC[C@]1(C4)NC(=O)NC1=O)-c1ccccc1C2=O 587096201 HXSVQXVMVPCAHI-HSZRJFAPSA-N 383.407 2.822 0 1 GFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 586925569 HFVAIGDHLMXSGC-SFHVURJKSA-N 386.433 2.506 0 1 GFAF COc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)nn1-c1ccccc1F 587157255 YYNDQDSFPWPFQB-UHFFFAOYSA-N 376.355 2.539 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2nc[nH]n2)N1 587790892 JYNCNCHCDGRSTL-BTDLBPIBSA-N 388.244 2.927 0 1 GFAF COc1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1OCC(=O)NC(C)C 587221761 JHEZKUAIQXPKJW-UHFFFAOYSA-N 375.816 2.537 0 1 GFAF Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1cccc(O)c1)C2 14535631 CHEOADFYUWIHQI-UHFFFAOYSA-N 376.460 2.614 0 1 GFAF N[C@H]1C[C@@H](F)CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205260876 WEEKHEMGSDJQLC-CABCVRRESA-N 389.438 2.957 0 1 GFAF COc1ccn2c(c1)nc1c2c(=O)n(CCC(C)C)c(=O)n1Cc1ccccc1 1857628418 ZBJPOXCZZWJOGJ-UHFFFAOYSA-N 392.459 2.914 0 1 GFAF Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc2c(C)n1 146700687 NRUOIVVOEKEDEZ-UHFFFAOYSA-N 375.432 2.529 0 1 GFAF COC1=Nc2ccccc2C2=N[C@H](CN3CCN(c4ccccc4)CC3)CN12 100740221 AQFNDEWRDMRIMD-QGZVFWFLSA-N 375.476 2.587 0 1 GFAF COc1ccc(-c2cc3ncccc3c(NCc3n[nH]c(=O)o3)n2)cc1OC 114019366 NCVAOMFPAFGONW-UHFFFAOYSA-N 379.376 2.602 0 1 GFAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cccc3ccccc23)C1 61908071 RMDRBYKZWSFSAR-HXUWFJFHSA-N 388.489 2.548 0 3 GFAF COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@@]1(O)C[C@H]4N(C[C@@H]1C)C[C@@H](CC3)[C@]24C 2356447014 JHCADBPJWZOJRG-OJPSDFQGSA-N 395.455 2.643 0 1 GFAF COC[C@@H]1NS(=O)(=O)c2ccc(Br)cc2O[C@H]1c1ccccc1 61931068 RJPQTKBHZHQVFS-BBRMVZONSA-N 398.278 2.876 0 3 GFAF O=C(CO)Nc1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1 40875829 QBWYZAHJEFWQPF-UHFFFAOYSA-N 378.215 2.682 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(Cc3ccccn3)[C@H]2CNC(=O)CC)cc1 95895857 JQIVQIXEWIJDCO-IMEOBXFLSA-N 379.504 2.970 0 1 GFAF CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCCc1ccccc1 95599437 XPODACXNJJUUIQ-GOSISDBHSA-N 379.460 2.607 0 3 GFAF Cc1ccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)o1 149248157 ZKHAJHXLQJFKPD-UHFFFAOYSA-N 377.444 2.653 0 1 GFAF C=Cc1c(C)nn(CCCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 473119858 MTZZPVOVLSELDL-UHFFFAOYSA-N 381.524 2.688 0 1 GFAF O=C(Cc1nc2cc(I)cnc2[nH]1)OCc1ccccc1 587782847 YOCPYXSWSCFUFO-UHFFFAOYSA-N 393.184 2.848 0 1 GFAF CN1CCc2cn(C)nc2[C@H]1c1cccc(OCCNC(=O)OC(C)(C)C)c1 963955251 OMJUBWFDEPBGGX-LJQANCHMSA-N 386.496 2.901 0 1 GFAF C[C@H](Oc1cccc([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1)C(=O)O 963032754 VEZHXBRVJBAAOV-DJEJFTSGSA-N 380.444 2.855 0 1 GFAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cn2oc(=O)[nH]c2=O)cc1 606972 LLCYBTBQAICSRM-UHFFFAOYSA-N 393.399 2.763 0 1 GFAF Oc1nc2ncccc2n1-c1nc(N2CCC[C@@H]([C@@H](O)C3CC3)C2)ccc1F 1772604254 NPNHGCUWUHBIIE-DYVFJYSZSA-N 383.427 2.648 0 1 GFAF NC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]1)c1ncc(CO)s1 1772575488 XORNCWUWOXZHCU-HNNXBMFYSA-N 376.869 2.714 0 1 GFAF Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4c(=O)o3)nc2cn1 1857609606 VLDHIEYXICLZCJ-UHFFFAOYSA-N 375.432 2.563 0 1 GFAF Fc1ccccc1[C@@H](CN1CCN(c2cnccn2)CC1)NCc1ccccn1 205557212 LOSYUGJHQZNZBD-OAQYLSRUSA-N 392.482 2.664 0 1 GFAF O=C(CNC(=O)c1ccccc1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 3638784 HKFVSJDAOZKFSC-IBGZPJMESA-N 385.895 2.851 0 1 GFAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 4040692 UWECVXKHSTXTSR-LNLFQRSKSA-N 387.505 2.793 0 1 GFAF CN1C[C@H](NC(=O)Nc2ccc(F)cc2)C[C@H]1c1nc(-c2ccccn2)no1 2356301211 YKEHPLZHUKLMTD-ZBFHGGJFSA-N 382.399 2.838 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C(=O)[C@H](C)[C@]2(O)CCc2ccoc2)C1(C)C 2356635000 RWOAGXCXGZWXLF-RGNOVVOBSA-N 392.492 2.897 0 1 GFAF CC=C[C@@H]1C=C2C=C[C@@H]3C[C@H](C)CC[C@@H]3[C@]2(C)C(=O)[C@]12C(=O)N[C@@H]([C@@H](C)O)C2=O 2356839828 LYRFDYFCOSNCHT-IDLQHBFHSA-N 397.515 2.751 0 1 GFAF C[C@@H]1NCCn2cc(-c3cc4c(cc3F)C(=O)[C@H](C(=O)O)CN4C3CC3)cc21 45244948 XTCQDIDBKFSLFT-MEDUHNTESA-N 383.423 2.824 0 1 GFAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCC(=O)CC3)ccc1C2=O 49112687 GISVDCSZEJJWAS-UHFFFAOYSA-N 399.454 2.607 0 1 GFAF COc1ccc(NC(=O)Nc2ccc(Cn3cc4c(=O)[nH]cnc4n3)cc2)cc1 40860855 YGXUTTFHTNBHCM-UHFFFAOYSA-N 390.403 2.821 0 1 GFAF CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN(C)C 82082772 RVFYLBRCNVAMTF-MRXNPFEDSA-N 390.509 2.746 0 1 GFAF COC[C@@H]1CCCN1c1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1 145428629 ZJOSEGOSWVWPDQ-ZDUSSCGKSA-N 391.435 2.872 0 1 GFAF NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144736708 LTASFVMKXRIDCK-QFBILLFUSA-N 390.361 2.555 0 1 GFAF CC(=O)Nc1ccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514110 VKFRVSSRYSAEDJ-QFIPXVFZSA-N 381.428 2.695 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc3nc(O)[nH]c3c1)O2 587395676 FGRCNLLBFCBXKG-HXUWFJFHSA-N 380.404 2.912 0 1 GFAF N=c1[nH]cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc-2[nH]1 587024835 BSTOTNFUKSWBGZ-QEJZJMRPSA-N 382.493 2.853 0 1 GFAF CCn1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1 12705292 FYZSGHCRLAMTII-GOSISDBHSA-N 378.480 2.939 0 3 GFAF Cc1cc(-c2ccccc2)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1 13472168 HQFAJVXJDPCTHF-MRXNPFEDSA-N 376.464 2.622 0 1 GFAF C[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 17250810 OFUMSTVCETVCLF-QVXRUGPVSA-N 397.427 2.963 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC[C@H]3COC[C@H]3C2)cc1)N1Cc2ccncc2C1 167857824 XLDPBSVADZSUQK-PKOBYXMFSA-N 392.459 2.738 0 1 GFAF NC(=O)c1cnc(N[C@H]2CCCN[C@@H]2CCO)c2cc(-c3ccccc3)sc12 168844184 WDHIFVVCVCTFQQ-SJORKVTESA-N 396.516 2.977 0 1 GFAF O=C(Cc1cccs1)N[C@H]1CCN2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 3841242 LZNGPUYDVMAURF-BBRMVZONSA-N 375.494 2.535 0 1 GFAF biogenic O=C1CC[C@H](N2Cc3c(SCc4cccc(F)c4)cccc3C2=O)C(=O)N1 1857550911 LASXNZBHOVHYKN-INIZCTEOSA-N 384.432 2.879 0 1 GFAF O=C(c1ccc(-c2ccc3[nH]ccc3c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1 1857585046 MDCZCLVNBDMNKU-UHFFFAOYSA-N 389.455 2.644 0 1 GFAF CCCCCC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O 1857764663 NLPASAZGMPNSRT-YQVWRLOYSA-N 382.501 2.545 0 1 GFAF CC(=O)N1CCSc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21 6892666 ATXVDDBGLOLEEC-UHFFFAOYSA-N 380.466 2.763 0 3 GFAF NS(=O)(=O)c1ccc(O)c(-c2n[nH]c(-c3ccc(Cl)c(Cl)c3)n2)c1 29563449 IPXYJGHYGVCYKE-UHFFFAOYSA-N 385.232 2.799 0 1 GFAF Nc1ccc(-c2nnc(O)n3c(Br)c(Br)nc23)cc1 28092156 DKMMERLAIZECBD-UHFFFAOYSA-N 385.019 2.604 0 1 GFAF COc1ccc(C=CC(=O)OC[C@H](O)COC(=O)C=Cc2ccc(O)cc2)cc1 2356537184 JLSIEPYLSSNFSK-LJQANCHMSA-N 398.411 2.575 0 1 GFAF CCCC(=O)CC1=C(C)[C@H](OC(=O)c2c(C)cc(O)cc2O)[C@](C)(O)[C@@H](O)C1 2356719682 DTAKGJIOWCMCMB-HFSMHLIXSA-N 392.448 2.523 0 1 GFAF O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H]1OC[C@@H]2n1cc(-c2ccccc2)nn1 2356816230 CZHVUCNNXCMODU-ZGXWSNOMSA-N 398.463 2.711 0 1 GFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccc(OC)c2OC)C1 36380738 HNVKPQQOARPILL-UHFFFAOYSA-N 390.509 2.761 0 1 GFAF COc1cc([C@@H]2c3cc4c(cc3C[C@H]3C(=O)OC[C@H]32)OCO4)cc(OC)c1OC 15217397 CRUJVPABCWDZSK-STXHMFSFSA-N 398.411 2.918 0 1 GFAF biogenic C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 82198593 AWTIKGXAYFOOSE-JFDQCURKSA-N 388.508 2.589 0 1 GFAF Cc1ccc(NC(=O)c2cncnc2)cc1-c1ccnc(N2CCOCC2)c1 220623241 BQBDNEAPPRMBAP-UHFFFAOYSA-N 375.432 2.936 0 1 GFAF CCCNC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O 95894862 BRJDXNPJZHGCOW-NJYVYQBISA-N 385.508 2.638 0 1 GFAF CC[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)N1CCC(O)CC1 25434112 WLWLZVFWPODUFR-CABCVRRESA-N 393.915 2.597 0 1 GFAF biogenic CC[C@@H]1C[C@H]2CN3CC[C@@]4(Nc5ccc(OC)cc5C4=O)[C@@](C(=O)OC)(C2)[C@H]13 238767255 ZZJBUKQZGMCYEE-KJTDSKMASA-N 384.476 2.726 0 1 GFAF C[C@@H]1C[C@H]2O[C@@H]2C=CC=C/C(=N\O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 299804914 PXFCVALKVVALQA-RCYPAQNXSA-N 379.796 2.953 0 1 GFAF CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 261115682 IRUDZRRJNDDVLC-SHTZXODSSA-N 395.463 2.688 0 1 GFAF O=C(c1ccon1)N1CCN2C(=O)c3ccncc3[C@@]12c1ccc(Cl)cc1 299871792 ZHGHITGZWSFFFW-LJQANCHMSA-N 380.791 2.536 0 1 GFAF CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440380 GPWFEIZRGCYTAV-SPLOXXLWSA-N 390.432 2.580 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ncc[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 586957762 DYNBQHQVHRNDEJ-BPUTZDHNSA-N 383.477 2.999 0 1 GFAF CCOC(=O)[C@]1([C@@H]2CCCC2=O)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962629392 HOWJOQADLZWFFT-VWLHBSKXSA-N 375.465 2.708 0 1 GFAF COC(=O)c1c[nH]c2cc(CN3CCN(Cc4ccccc4)CC3)ccc2c1=O 1772648847 VNAIAELFKDXUTP-UHFFFAOYSA-N 391.471 2.633 0 1 GFAF COc1ccc(C2=NN(CCn3ccnc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474113 DYMATXSIQRNSJP-DLBZAZTESA-N 382.464 2.953 0 1 GFAF Cn1ncc(C(=O)N2CCC(Nc3n[nH]c4ccc(F)cc34)CC2)c1Cl 169351294 RVGOEDYGGGBIBU-UHFFFAOYSA-N 376.823 2.806 0 1 GFAF CN1CCN(c2ccc(-c3cnc4[nH]c5cnc(C(N)=O)cc5c4c3)cc2)CC1 200098860 JAPRUHQEXJGMCA-UHFFFAOYSA-N 386.459 2.629 0 1 GFAF COc1cccc(Cn2c(=O)cnc3cnc(Nc4cccc(OC)c4)nc32)c1 4238733 FVDIJPBSGHAKDC-UHFFFAOYSA-N 389.415 2.996 0 1 GFAF CC(C)c1nc(C(=O)NCC2[C@@H]3CN(C4CCOCC4)C[C@@H]23)n2ccccc12 1857640601 HPHCILUBWLALNJ-ROUUACIJSA-N 382.508 2.544 0 1 GFAF CCOC(=O)C1=C(CN)NC(c2nccs2)=N[C@@H]1c1ccc(F)cc1Cl 1857763738 WUQYJLJHMJZDMP-CQSZACIVSA-N 394.859 2.803 0 1 GFAF NS(=O)(=O)c1ccc(-c2ccc([C@@H](O)c3cccc(C(=O)O)c3)cc2)cc1 1911575590 MROBOYWUGOBALA-LJQANCHMSA-N 383.425 2.781 0 1 GFAF C[C@H]1C[C@@]2(C[C@@](C)(C(=O)CSc3nc4ccccc4s3)OC2=O)C(=O)O1 4197392 UBMQUKPOVZTBAS-WQRJOSILSA-N 391.470 2.985 0 1 GFAF COc1ccc(CNC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1 4895512 VTNPBSLUOCTZNR-UHFFFAOYSA-N 397.454 2.532 0 3 GFAF Cc1cc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)no1 104038786 JMGFZZWQVUGLHS-JOYOIKCWSA-N 381.314 2.693 0 3 GFAF CCOCCn1cnc2sc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(C)c2c1=O 21146425 QZGKELKGSVECML-STQMWFEESA-N 377.510 2.921 0 1 GFAF CC(=O)NCCn1c(-c2ccoc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185548 XEQBHEOZJNUVBV-UHFFFAOYSA-N 394.410 2.974 0 1 GFAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)n1 221131007 NZUVLJSYHHTOEL-IAQYHMDHSA-N 382.424 2.801 0 1 GFAF COc1ccc([C@H]2Oc3c4c(cc(O)c3C(=O)[C@@H]2O)OC(C)(C)C=C4)cc1O 238739634 KAJUHLFVBDUNFT-RBUKOAKNSA-N 384.384 2.968 0 1 GFAF C[C@H](NC1=NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2S1)c1ccccc1 95581136 CZUIKAIRGAUEEE-NSHDSACASA-N 396.515 2.591 0 1 GFAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)cc2F)c1 587143312 AZSRBPNNNPBCQU-UHFFFAOYSA-N 379.351 2.897 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1c(I)cnn1C)[C@@H](C2)C3=O 587428303 NPGHTMZZDZGSEG-BJOHPYRUSA-N 396.184 2.522 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(CCN4CCOCC4)c1C)[C@@H](C2)C3=O 587429937 DXRVDLACHFVUPL-WMZHIEFXSA-N 396.487 2.934 0 1 GFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(=O)O)cc2[nH]1 586965760 XVLMKJJMQCLYRE-UHFFFAOYSA-N 397.464 2.718 0 1 GFAF CC(C)(SCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(=O)O 586958870 JTDQECYFJKZQAY-UHFFFAOYSA-N 382.385 2.953 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2S(C)(=O)=O)N1 587851037 ULEUWARUTHOUHP-DDHOLCJHSA-N 376.291 2.915 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)O2 587388191 XMGBKPNKFJQKMG-DJJJIMSYSA-N 378.425 2.669 0 1 GFAF Cc1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2n1 586942670 OLALSRHOSBJQKE-UHFFFAOYSA-N 387.284 2.569 0 1 GFAF C[C@H]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)[C@@H]1C 5067742 ZWHGMKZMKUQXOB-ZMSDIMECSA-N 389.521 2.796 0 1 GFAF O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(Cc2ccc(F)cc2)CC1 13731476 FYESUPNCEQFNOM-UHFFFAOYSA-N 381.451 2.784 0 1 GFAF CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3cccnc3)cc21 169309903 RANRSXNHVJZBGA-MUUNZHRXSA-N 391.452 2.768 0 1 GFAF C[C@]12CC[C@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCNCC1 169714056 RLBFPICNIBRUCB-QBDGDHAASA-N 385.552 2.691 0 1 GFAF C=Cc1ccc(CN2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 1857752356 TYSJYYZFVUZNJS-RCZSKKKRSA-N 393.487 2.912 0 1 GFAF COC(=O)[C@@H]1N=C(SCc2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 103004869 UWQGLWWWCAGZKD-IXDOHACOSA-N 394.452 2.679 0 1 GFAF COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](N(C)C)c1cc(=O)c(OC)ccc12 27714660 PJBSGYGSQRXHOS-SCWSEQNSSA-N 387.476 2.779 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2cn(cn2)CCCCCOc2ccc(Cl)c1c2 103260965 VOZWZDMFSQVZQP-INIZCTEOSA-N 377.828 2.525 0 1 GFAF O=S(=O)(c1ccc(Cl)cc1)n1ccc2c(N3CCNCC3)cccc21 28526197 MSRIYFDZDOEYAR-UHFFFAOYSA-N 375.881 2.941 0 1 GFAF COc1ccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2C)cc1C 29057221 PPZKBXPUTQVUBO-UHFFFAOYSA-N 379.420 2.754 0 1 GFAF C[C@@H](C1CCC(c2cccc3ncnn23)CC1)[C@H](N)C(=O)N1CCC(F)(F)C1 28824473 KNWLGOHITUGUED-HKLFFYFNSA-N 391.466 2.834 0 1 GFAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356620652 ALNTVPYKQVRMDS-HBMCJLEFSA-N 399.535 2.915 0 1 GFAF COC1=C2COC(=O)[C@H]2[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3 2356672633 RJDBEBSQZKELFD-RBUKOAKNSA-N 380.352 2.820 0 1 GFAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CC1 95895599 AARISULFZWERSM-FKBYEOEOSA-N 396.462 2.694 0 1 GFAF CCC(=O)N1[C@H](CN(CC)C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1CO 95895336 XOJCLLCNPDDULP-RZUBCFFCSA-N 380.488 2.914 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO2 95688553 NNLGSVIPEFKMPH-QMTMVMCOSA-N 391.512 2.519 0 1 GFAF COc1cc(/C=C/C(=O)N[C@@H]2C[C@H](C)NC(=O)N2)cc(Cl)c1OC(C)C 618015651 DFVQMOMHDNVXJW-XFPBEJNWSA-N 381.860 2.683 0 1 GFAF CN(Cc1ccccc1)C(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO 43554123 VBUNZZDOPDHHED-PAFPFUSMSA-N 389.536 2.582 0 1 GFAF biogenic Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1c(C)nn(C)c1C 653834568 UFICTZBSSZLQNF-UHFFFAOYSA-N 384.465 2.729 0 1 GFAF COc1ccc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2n1 586975992 RCQWFWIMZBWKTF-AWEZNQCLSA-N 393.241 2.794 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)ncnc2[nH]1 586934962 DVNKPXDSGBPXJV-NSHDSACASA-N 397.913 2.779 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)ncc2[nH]1 587232289 VWEANTVFWBZOCU-MNOVXSKESA-N 381.274 2.757 0 1 GFAF O=C(O)CCC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351490 KARMBSWNOVHXLS-XLIONFOSSA-N 388.347 2.969 0 1 GFAF Nc1ccc(-c2cc(O)n(-c3cc(C(=O)O)ncc3Br)c2O)cc1 587939914 MTEORKCOKLDCSY-UHFFFAOYSA-N 390.193 2.993 0 1 GFAF NS(=O)(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587126407 AIGVNHVPYXALAJ-UHFFFAOYSA-N 397.338 2.652 0 1 GFAF CCS(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587035328 RYRZBFHEBVDHLB-UHFFFAOYSA-N 389.502 2.837 0 1 GFAF Cc1nc(O)c([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(O)n1 962964286 ZYAUWVBWSJCOMF-OAHLLOKOSA-N 395.381 2.956 0 1 GFAF COC(=O)[C@@H]1CCCCN1C(=O)c1cc(COc2cccc3cnccc23)on1 12208827 WZOACPGPUOPVQA-SFHVURJKSA-N 395.415 2.970 0 3 GFAF NCc1cc(Oc2cccc3c2CCC(=O)N3CCO)nc(C(F)(F)F)c1 1857606000 IAELUAQCRQBCOU-UHFFFAOYSA-N 381.354 2.623 0 1 GFAF NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4cn[nH]c4)nc32)cc1 118257073 ILVKGSGRGSOAHZ-UHFFFAOYSA-N 382.431 2.914 0 1 GFAF COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4041897 BYAGHXIWVHNODW-CTNGQTDRSA-N 381.476 2.997 0 1 GFAF CCc1c(O)n(-c2ccccc2C)c(SCC(=O)N2CCCCC2)nc1=O 101873332 YUHPJAXTRCMADE-UHFFFAOYSA-N 387.505 2.914 0 3 GFAF COc1cc(C2=NN(C(N)=S)[C@H](c3ccc(C)cc3)C2)ccc1OCC(=O)O 28713518 ZTSREXLMZKCQGS-INIZCTEOSA-N 399.472 2.862 0 1 GFAF CN(C(=O)CCCOc1cccc2c1NC1=NC(=O)CN1C2)C1CCCCC1 26946012 XQAHXWUUSJGDMX-UHFFFAOYSA-N 384.480 2.760 0 1 GFAF COC(=O)C=Cc1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 2356563449 DPDJZJNYBSGDHT-MGPUTAFESA-N 386.400 2.805 0 1 GFAF CCC(C)=CC(=O)O[C@H]1[C@@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@H]2C[C@H]1O 2356650958 XTIZBLMVEVBXHN-JGLSQMAMSA-N 378.465 2.633 0 1 GFAF CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(CC)[C@@H]1c1ccccc1 61958788 FLIAEUBYDPEBFK-GOSISDBHSA-N 390.461 2.850 0 3 GFAF CCCCCNC(=O)[C@@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 6273381 YSDIGHFZKNHZIK-JLCFBVMHSA-N 396.491 2.898 0 1 GFAF biogenic CC(C)CCCCCCCC/C=C/C[C@H](OS(=O)(=O)O)[C@H](O)[C@H](N)CO 73240426 AMKJRXWVNVNVKO-WHTXQBFGSA-N 395.562 2.578 0 1 GFAF COCc1nnc(N2CC[C@H](Oc3ccccc3C)C2)n1-c1ccc(OC)nc1 45348222 JMGDUUQAXVYNKR-KRWDZBQOSA-N 395.463 2.783 0 1 GFAF COc1cc2c(cc1NS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 49000314 FNIQYXGRKNMEGI-SSTWWWIQSA-N 380.510 2.528 0 1 GFAF CN1CCN(C(=O)c2cccc(-c3cc4nc(O)c5ccccc5n4n3)c2)CC1 43072410 MVOJDKFPHMMCPE-UHFFFAOYSA-N 387.443 2.643 0 1 GFAF N[C@@H](CC(=O)N1CCC[C@H]1c1nc(C2CC2)no1)Cc1cc(F)c(F)cc1F 45253152 JOSJTWXTBHJAHS-WBMJQRKESA-N 394.397 2.988 0 1 GFAF O=C(c1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1 144807916 UXGKINYHMPFDCK-QGZVFWFLSA-N 383.753 2.935 0 1 GFAF NC1=N[C@@]2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1 149312714 ASXIBZVBBQRBMI-IBGZPJMESA-N 384.823 2.700 0 1 GFAF Cn1c(O[C@H]2CC[C@@H](c3ccc(CO)cc3)CC2)nc(-c2ccncn2)cc1=O 146501158 UUYZRMHDPAJSNF-IYARVYRRSA-N 392.459 2.835 0 1 GFAF COc1cc(S(=O)(=O)c2ccc3c(c2)CCOC3)cc2c3c(oc12)CCNC3 147523946 DUWJLHGKKLDFBA-UHFFFAOYSA-N 399.468 2.993 0 1 GFAF O=C(Nc1nc2cc(-c3cncc(F)c3)cc(-c3ncccn3)c2[nH]1)N[C@H]1CO1 299840175 UUTLYYKBMITNFM-OAHLLOKOSA-N 391.366 2.699 0 1 GFAF Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCN(C)CC4)c3)nc(N)n2)o1 653767962 KIQWDTMLZNTNSQ-UHFFFAOYSA-N 377.448 2.682 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(C(=O)O)cn2)N1 587767457 AUTFPQUYKDYRPO-VPTHRUTESA-N 380.217 2.874 0 1 GFAF CC(=O)Nc1cccc(Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 587241928 FTLZIMQTUWRDNA-UHFFFAOYSA-N 375.432 2.868 0 1 GFAF CCOC(=O)CC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400520 QGNFWHQOSHIXFH-VBKZILBWSA-N 377.437 2.824 0 1 GFAF Nc1ccccc1[C@@]1(C[C@@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587510254 KDHVGUWOCXYNJT-XMSQKQJNSA-N 380.444 2.810 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587788885 AMONDIZAWIBCQW-JVXZTZIISA-N 398.232 2.817 0 1 GFAF CCOC(=O)[C@]1(c2c(C)nc3ccccn23)CC(=O)c2cc(C)cc(N)c2O1 587393702 KIILTSVLNAZIKB-OAQYLSRUSA-N 379.416 2.957 0 1 GFAF Cc1ccnc2c1CCN[C@H]2c1ccccc1OCCCN1CCN(C)CC1 963073183 PGGAUCNQTFJVNC-QHCPKHFHSA-N 380.536 2.641 0 1 GFAF COc1ccc(OC)c([C@@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)c1 963136050 XKMAZANLUFSEEQ-NRFANRHFSA-N 385.416 2.656 0 1 GFAF OC12C[C@@H]3C[C@@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1F)(C3)C2 101134964 IJBCBNGKYORYDI-CNJAWSQJSA-N 376.476 2.827 0 1 GFAF Cc1ccc2nc(C)c(C(=O)NCCN3CCN(c4ccccc4)CC3)n2c1 1857638321 PBWCBXWPTAITNR-UHFFFAOYSA-N 377.492 2.503 0 1 GFAF CS(=O)(=O)c1nc(-c2cc(-c3ccccc3)nn2-c2ccc(F)cc2)n[nH]1 1857638542 VWHMXPSTVUGDPF-UHFFFAOYSA-N 383.408 2.867 0 1 GFAF C[C@H](NC(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO)c1ccccc1 2356699332 OKOQZWLTLATVKR-MIYZEPTJSA-N 389.536 2.801 0 1 GFAF CC1=C[C@@H]2C=CCC[C@H](O)C(=O)CCC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C 2356785435 AEWVHSHRWIXYAA-KTCNRCKJSA-N 387.520 2.975 0 1 GFAF Cc1c2c(n3c1CCNCCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71296820 IITHJJYWUUDGJR-UHFFFAOYSA-N 394.519 2.987 0 1 GFAF COc1ccc(/C=C2/C[C@](CO)(COC(=O)c3ccccc3C)OC2=O)cc1 40401186 XPYOLVJUCCKOTM-AAKHDSTQSA-N 382.412 2.922 0 1 GFAF COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc1 199664990 WNGNHYKRYHCSIR-OAQYLSRUSA-N 377.440 2.939 0 1 GFAF O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(N3CCSCC3)c21 95602001 KKNRLTUEIVCJLX-MRXNPFEDSA-N 390.530 2.522 0 3 GFAF CC(=O)Oc1ccc(/C=C/S(=O)(=O)NCc2ccccc2)cc1OC(C)=O 96917396 KGQIYLMKIDIKIJ-ZHACJKMWSA-N 389.429 2.628 0 1 GFAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(C(=O)O)cc3)c2)c1 653886905 HDFXWPGZEQPCSM-UHFFFAOYSA-N 391.383 2.710 0 1 GFAF O=S(=O)(NCc1nc2cncc(Cl)c2[nH]1)c1ccc(F)c(F)c1F 587134383 QOJZTBSOTJOYAD-UHFFFAOYSA-N 376.747 2.507 0 1 GFAF COc1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cc1OC 586942004 ZGZVJKOAUOLCGC-CMDGGOBGSA-N 387.461 2.979 0 1 GFAF Cc1ccc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2n1 586942665 YUECDCNWOYYVQB-UHFFFAOYSA-N 395.488 2.964 0 1 GFAF C=CN1CC[C@H]([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)C1=O 962669956 PRTMFZAHQRDSPJ-HSQYWUDLSA-N 379.460 2.541 0 1 GFAF CC(C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccccc1 1772619532 VURWEUMPSLQNMS-HXUWFJFHSA-N 397.500 2.808 0 1 GFAF CCCCc1nn(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832665 PZARVXWVGIUWJQ-UHFFFAOYSA-N 389.463 2.820 0 1 GFAF COCCOc1ccc(-c2ccc(COc3nccnc3C(N)=O)nc2)c(C)c1 169349165 HFOHZYOLQNECCZ-UHFFFAOYSA-N 394.431 2.550 0 1 GFAF COc1ccc([C@H]2[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccccc3C(=O)N2C)cc1 4572197 FJZUFNPBIMYVTE-YYWHXJBOSA-N 394.471 2.901 0 1 GFAF C[C@H]1C[C@H](C)CN(C(=O)c2ccc(CNc3c(N4CCCC4)c(=O)c3=O)cc2)C1 4956043 XBQRYSUYWYGGDT-HOTGVXAUSA-N 395.503 2.613 0 3 GFAF COc1ncc(C)c2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12 103195658 GTVOWJSLWAESLM-UHFFFAOYSA-N 388.236 2.549 0 1 GFAF COc1ccccc1[C@H]1[C@@H](C(=O)c2ccco2)C(=O)C(=O)N1c1cc(C)on1 100270135 FNCAUGWBTCCWKB-IRXDYDNUSA-N 380.356 2.741 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)cn1 115731505 DTORSKIHKJYASR-AWEZNQCLSA-N 379.420 2.894 0 1 GFAF CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1 66112257 OPMDRGUSNDLALA-OAHLLOKOSA-N 398.484 2.904 0 1 GFAF Cc1cc(O)[nH]/c(=N\C(=S)NC(=O)c2ccc(-c3ccccc3Cl)o2)n1 28566153 BYPVCPZKSDTBBA-UHFFFAOYSA-N 388.836 2.953 0 1 GFAF CS(=O)(=O)Nc1ccc(-c2c(-c3cccnc3)oc3ncnc(N)c23)cc1 29129049 ULXNOAILDXLVCK-UHFFFAOYSA-N 381.417 2.906 0 1 GFAF CCS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1 115625060 WDIOPFCBZVXEGJ-UHFFFAOYSA-N 386.477 2.609 0 1 GFAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccccc1 61923451 KRQOROZYEXYULJ-GOSISDBHSA-N 397.519 2.846 0 3 GFAF O=C([C@H]1C[C@@H](Oc2cccc(Cl)c2)CN1)N1CCCN(C2CCC2)CC1 72181616 CYVDMGAAGFJWCN-RTBURBONSA-N 377.916 2.536 0 1 GFAF CCCCOC(=O)COC(=O)CN(C)C(=O)c1coc(-c2ccc(C)cc2)n1 82074030 VMOGZXQEDYRPAH-UHFFFAOYSA-N 388.420 2.609 0 1 GFAF COc1ccc2c(c1)C(O)=C(C(=O)Nc1ccc(Cl)cc1)N(C)S2(=O)=O 40527678 NOBFYWKKEUNYSB-UHFFFAOYSA-N 394.836 2.848 0 1 GFAF COc1ccc(-c2nc3c4cn(CCc5ccccc5)nc4nc(N)n3n2)cc1 49067755 RWUVXOBBTQTDLL-UHFFFAOYSA-N 385.431 2.975 0 1 GFAF CC1(O)CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 140116390 MCJCRFYOUHUPQX-UHFFFAOYSA-N 375.476 2.980 0 1 GFAF FC(Br)(Br)c1nc2nc(Br)c[nH]c-2n1 587087264 CTWDTNZOXMNDIE-UHFFFAOYSA-N 388.820 2.937 0 1 GFAF CCCc1nc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)nn1-c1ccccc1F 587156013 QMKXGYIKGHZQRN-UHFFFAOYSA-N 389.398 2.878 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587788889 AMONDIZAWIBCQW-MADCSZMMSA-N 398.232 2.817 0 1 GFAF CC(C)C[C@H]1CC(Nc2nn[nH]n2)=C[C@]2(C1)c1ccsc1CCN2C(N)=O 962717688 UYJZCZRZQQAQEF-KPZWWZAWSA-N 387.513 2.845 0 1 GFAF CCc1ccc(NC(=O)c2c(NCc3ccccc3)nc(O)n(O)c2=O)cc1 1772644451 SCVYJSYOWGUCKJ-UHFFFAOYSA-N 380.404 2.613 0 1 GFAF O=C1C[C@@H](c2ccccc2)NCC[C@H]2CN(CCCN1)C(=O)c1ccccc12 5552626 YLOOKVSZLSAFTR-RXVVDRJESA-N 377.488 2.857 0 1 GFAF biogenic O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 767582 WXORIUAHAIUONU-GGPKGHCWSA-N 377.444 2.563 0 1 GFAF Cc1ccc2nc(C[C@H]3CN(C(=O)C4CCOCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302719 RNPJDDSBXVCBGB-SJORKVTESA-N 399.491 2.780 0 1 GFAF CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCC1 4858830 GJSXWXJHLQMKOD-INIZCTEOSA-N 387.509 2.974 0 3 GFAF COc1ccc2c(c1)O[C@@H]1Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)[C@]21O 2356396231 FIMAXIYZYKLKSA-NHCUHLMSSA-N 384.384 2.797 0 1 GFAF CCO/C(O)=C1\SC[C@H](C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)N=C1C 103533347 RGWAGRFRXKORFR-QPQFLAEFSA-N 383.558 2.811 0 1 GFAF COc1ccc(CNC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)cc1 101910974 QPEHQTKFVYFPFZ-UHFFFAOYSA-N 379.445 2.875 0 1 GFAF C[C@H]1CN(C[C@@H](C)Cn2nc3ccccn3c2=O)CCN1c1cccc(Cl)c1 27083274 LOEADZDEGAOQMK-SJORKVTESA-N 399.926 2.996 0 1 GFAF CCc1cc(/C=C/C(=O)O)ccc1NC(=O)c1cccc(NC2=NCCN2)c1 29252098 YUYFHARZOUACDE-VQHVLOKHSA-N 378.432 2.970 0 1 GFAF COc1c2c(cc3c1OCO3)[C@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)OC[C@H]1C2 14641200 CCJWJASNEQOVDI-VQTKTOELSA-N 382.368 2.630 0 1 GFAF biogenic COC[C@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O 49050647 KYXNOTCRRUXNGE-CQSZACIVSA-N 395.410 2.901 0 1 GFAF O[C@H]1[C@H](O)CO[C@@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)[C@@H]1O 84670659 NLFQFWBEDCBEBR-QPXUXIHVSA-N 389.451 2.997 0 1 GFAF COc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cnc1N 148075643 BTQKLDWEUBTYOI-LFUKPOHLSA-N 395.507 2.695 0 1 GFAF C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255199693 BIEADAHRODWPEW-IWUPCRBTSA-N 388.504 2.783 0 1 GFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799126 WHDWIBSTQPQBIB-WICFXGTPSA-N 397.288 2.821 0 1 GFAF CN(C)C(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587008188 JNOCFNCPOWNUGK-UHFFFAOYSA-N 385.225 2.737 0 1 GFAF Cc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587820147 AEPMWYRIGJNEDM-BBATYDOGSA-N 380.257 2.985 0 1 GFAF Nc1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1CC(=O)O 587248914 BUUNRYUPMFVTPN-UHFFFAOYSA-N 399.350 2.733 0 1 GFAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587087148 IAWUHOGWYZRPAS-UHFFFAOYSA-N 385.836 2.988 0 1 GFAF CCOc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)ccc1OC(C)=O 963487927 FIVSYSHBEJORLB-YWZLYKJASA-N 385.416 2.713 0 1 GFAF CCCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2cccc(Cl)c21 1772620605 SZHNGRZTPHBTAV-UHFFFAOYSA-N 379.888 2.922 0 1 GFAF C[C@H]1CN(C#N)C[C@@H]1N1CCN(c2ccc(-c3ccccc3)cc2)S1(=O)=O 1857578292 INEATXCKOJZLFX-JXFKEZNVSA-N 382.489 2.522 0 1 GFAF Cc1ccc(-n2c(=O)c3c(cnn3C)n(Cc3ccc(Cl)cc3)c2=O)cc1 8592179 LXWRTNTUMLUXPT-UHFFFAOYSA-N 380.835 2.896 0 1 GFAF COc1cc2c(cc1OC)[C@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CCC2 26180783 YOAWEZVRKFEZKN-GOSISDBHSA-N 386.492 2.942 0 1 GFAF C[C@@H](NS(C)(=O)=O)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181916 VRPOKYQSMJMPDT-QAPCUYQASA-N 379.551 2.549 0 3 GFAF CS(=O)(=O)c1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1 101661832 YSQXYRJIHIQPJD-UHFFFAOYSA-N 391.470 2.762 0 1 GFAF C[C@H](O)CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F 28643565 QVYGGHDHIMDIHA-ZDUSSCGKSA-N 378.411 2.868 0 1 GFAF CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C(C)=O)cc4)cc3OC[C@@H]12 73161374 IRSOGRXJSDRMQV-ICSRJNTNSA-N 380.400 2.779 0 1 GFAF CCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 146897940 PDNIQUYVEYMKHW-UHFFFAOYSA-N 380.901 2.705 0 1 GFAF CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1)C(=O)C1CC1 95895274 CRBZDISXGSFFME-QHAWAJNXSA-N 378.472 2.524 0 1 GFAF COc1ccc(C(=O)c2[nH]c(N)c(C(N)=O)c2-c2ccc(OC)c(OC)c2)cc1 95569770 RAVIFMOHJNQZJQ-UHFFFAOYSA-N 395.415 2.620 0 3 GFAF CS(=O)(=O)c1ccc(-c2cccn3nc(NCCc4cccnc4)nc23)cc1 96169907 HHEHZRSPLVIGSH-UHFFFAOYSA-N 393.472 2.849 0 1 GFAF COCCN1C(=O)C[C@@]2(C=C1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584593 YZESWWBGSKNHNG-SIKLNZKXSA-N 395.411 2.875 0 1 GFAF CCOc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1OCC 587560016 SXJBMAFQNBIOSB-UHFFFAOYSA-N 385.376 2.528 0 1 GFAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cnc(=N)[nH]1 587860382 SPEJQRJKKGLEME-UHFFFAOYSA-N 381.223 2.600 0 1 GFAF C[C@@]1(CN2C(=O)CCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339854 FXHIMELGGURKBS-FPOVZHCZSA-N 383.375 2.798 0 1 GFAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c(Cl)c1)(C(O)O)[C@@H](C2)C3=O 587422082 PDSPHACXVJBDBC-BBATYDOGSA-N 381.211 2.956 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1C=C(C(=O)O)NN1c1ccccc1)O2 587394679 YPPCTKFFUTUMIF-WIYYLYMNSA-N 379.416 2.663 0 1 GFAF CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586946294 JEBSGRFQLQXZSQ-UHFFFAOYSA-N 384.383 2.670 0 1 GFAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587927430 QLCWARAECVCVFU-GFCCVEGCSA-N 375.450 2.769 0 1 GFAF COCC(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924879 IBLWQWPLZNBCGK-FPOVZHCZSA-N 385.416 2.604 0 1 GFAF C[C@]1(c2cn(Cc3ccccc3)nn2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229785 QAATYNRATZGMND-REWPJTCUSA-N 399.454 2.737 0 1 GFAF COC(=O)[C@@H]1CCc2occc2[C@]12NCCc1cnc3c(OC)cccc3c12 963067086 NEDZEHSLZHJHKC-AOMKIAJQSA-N 378.428 2.961 0 1 GFAF Cc1c(O)ccc2c1[C@](C)(CCC1C(=O)CC(C)(C)CC1=O)N[C@H](C(=O)O)C2 963528385 RWIMWESLYLTPHF-NYHFZMIOSA-N 387.476 2.869 0 1 GFAF COc1ccnc(C[S@@](=O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C 5116094 HJUSJYIODNLSRR-SANMLTNESA-N 381.360 2.904 0 1 GFAF CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Br)c2)N(C(N)=O)C(=O)N1 13820442 LSGMRPZJMHTJQV-ZDUSSCGKSA-N 396.241 2.820 0 1 GFAF CNc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311439 XMVZDHUKYXZOAV-BJZLKLGOSA-N 377.510 2.706 0 1 GFAF CN(C)CCNC(=O)C[C@]1(C)N=C(c2ccc(-c3ccccc3)cc2)N(C)O1 206056189 JEEXGFDBIYVSGJ-JOCHJYFZSA-N 380.492 2.761 0 3 GFAF CC(C)=CC[C@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)(C)O 206864210 MRYZIOVNIKDGMR-KVFCPIJKSA-N 378.465 2.596 0 1 GFAF in-vitro COc1ccc(OC)c2c1C[C@H]1c3cc4c(cc3C[C@@H](C(=O)O)N1C2)OCO4 1857577809 UALULNJJLWOBMB-HOTGVXAUSA-N 383.400 2.541 0 1 GFAF CC(=O)Nc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCCC=CCO2 253666664 PMZDKAIYJGHCEK-UHFFFAOYSA-N 394.391 2.668 0 1 GFAF O=C(O)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1 6251353 SORNSPZDFYQECA-UZLBHIALSA-N 384.384 2.923 0 3 GFAF c1cc(-c2nc(NCCN3CCNCC3)c3c4c(sc3n2)CCCC4)ccn1 1911578008 TXMGYIIDNXKRLK-UHFFFAOYSA-N 394.548 2.949 0 1 GFAF CC[C@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@]32[C@H](C)C(=O)O[C@H]12 103545989 SIELXTGPFIGRLA-IGLKXLNKSA-N 387.476 2.607 0 1 GFAF biogenic,in-vitro CN(C(=O)C12[C@H]3C4[C@H]1[C@H]1C4(C(=O)C45C6C7C4C4C5C6C74C)[C@H]3C12C)C(C)(C)C 105505395 MVEPNNJIZFXFLP-GWPJSWBUSA-N 375.512 2.698 0 1 GFAF CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 28641567 LVIQJCRMJSBXIC-UHFFFAOYSA-N 394.396 2.878 0 1 GFAF O=C(O)C[C@H]1c2c(ccc3c2OCO3)C[C@H]2c3cc4c(cc3CCN21)OCO4 2356497437 NJFMWKYXTHFFBE-GJZGRUSLSA-N 381.384 2.815 0 1 GFAF COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@H]1C[C@@]4(O)N(C[C@@H]1C)C[C@H](CC3)[C@]24C 2356610408 JDKFCQARUSBNFH-ZXRLPHITSA-N 395.455 2.848 0 1 GFAF Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(C)CC(=O)N12 61931335 LFMXYFGNKPGIAD-SPAWWWTRSA-N 376.456 2.901 0 3 GFAF O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCCCCC1 36383631 OHDRKYIAFNMZNY-HGJUEJDCSA-N 392.499 2.807 0 1 GFAF CCOC(=O)/C=C1/CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc21 73170277 RYQDPHUGUGSNLQ-VBKFSLOCSA-N 387.457 2.846 0 1 GFAF O=C(COCc1ccncn1)N1CCN(c2ccc(Cl)cc2Cl)CC1 64549910 HZQBESXNBCILDZ-UHFFFAOYSA-N 381.263 2.649 0 1 GFAF O[C@](Cn1cncn1)(Cn1nnc2ccc(Cl)cc21)c1ccc(F)cc1F 49803285 DZMKCQSTLGEBGQ-QGZVFWFLSA-N 390.781 2.542 0 1 GFAF COc1cc([C@@H]2C[C@H](O)C[C@@H](CCc3ccc(O)c(O)c3)O2)cc(O)c1O 15112375 CDLANTQZSUXRAX-LBTNJELSSA-N 376.405 2.731 0 1 GFAF biogenic Cc1cnc(CNc2ncc(Br)c(Nc3cc(C)[nH]n3)n2)cn1 84687994 SRUVCUHDFMECCJ-UHFFFAOYSA-N 375.234 2.725 0 1 GFAF O=S(=O)(N[C@H]1[C@@H]2CC[C@]1(O)Cc1ccccc1C2)c1ccc(Cl)s1 195086443 LRKSZTJQEVWHDS-DQYPLSBCSA-N 383.922 2.988 0 1 GFAF Cc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23SC(=O)NC3=O)cc1 96903034 BKOKPKAUYWOJRE-GQWLDOHISA-N 393.468 2.593 0 1 GFAF COc1ccc2c(c1)nc(-c1nonc1N)n2CC(=O)Nc1ccccc1Cl 299861579 LNYBIGROTZXBRU-UHFFFAOYSA-N 398.810 2.969 0 1 GFAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(OC)cc3[nH]2)c1 587232530 YOJVMXGEAPUTIO-UHFFFAOYSA-N 396.447 2.519 0 1 GFAF Cc1cc(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1Br 586977899 VBTBATGFUSLMEA-UHFFFAOYSA-N 380.267 2.872 0 1 GFAF C=C1NC(=O)C([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)=C(C)N1 587793710 KOYUWOYLIRQNGX-RBHXEPJQSA-N 380.261 2.802 0 1 GFAF COC(=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2n1 587160328 BFFULRXYUJXTBQ-UHFFFAOYSA-N 386.774 2.844 0 1 GFAF COC(=O)C[C@H](C(=O)OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992141 ORSBUXJTUKWCPT-AWEZNQCLSA-N 391.379 2.972 0 1 GFAF COC(=O)C(=O)C[C@@]1(CC(C)C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962634447 UIECVOORJNVXBK-QKKBWIMNSA-N 377.481 2.954 0 1 GFAF Cn1ccnc1C1(c2nccn2C)NC2(CC2)Cc2ccc(Br)cc21 961315332 BPDVYWHURGSZPT-UHFFFAOYSA-N 398.308 2.886 0 1 GFAF Cn1cc2c3c(c[nH]c(=O)c31)CN(CC1CC1)c1ccc(S(C)(=O)=O)cc1-2 221045042 ZVFNMMIXUGMFCY-UHFFFAOYSA-N 383.473 2.667 0 1 GFAF COc1ccc(Cn2cnc3sc(-c4cc[nH]c(=N)c4)cc3c2=O)cc1OC 1911573679 CYKUHSARNYJROC-UHFFFAOYSA-N 394.456 2.998 0 1 GFAF Cc1cccc2c1nc1n2[C@H](CNS(=O)(=O)c2ccc(F)cc2)COC1 2356299306 FHPHBBWVJAGKDU-CQSZACIVSA-N 375.425 2.534 0 1 GFAF NC(=O)c1c(O)c2ccc(-c3ccncc3)cc2n(-c2ccc(F)cc2)c1=O 100018925 LFICNITXGWNZPY-UHFFFAOYSA-N 375.359 2.996 0 1 GFAF C#Cc1cccc(N2C(=O)c3ccccc3[C@]2(O)c2ccc3c(c2)NC(=O)CO3)c1 116251932 VSPPJOMXMRUQBJ-XMMPIXPASA-N 396.402 2.853 0 1 GFAF CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H](C)C(=O)O)c1 28457562 GKXUJXTYCGQFPD-GFCCVEGCSA-N 385.416 2.939 0 1 GFAF CCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1 20210089 NBLIKKSFJBCIBN-UHFFFAOYSA-N 396.491 2.747 0 3 GFAF O=C(CNC(=O)c1ccccc1)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28379813 CBZXZIVYCMVKTD-LJQANCHMSA-N 385.895 2.851 0 1 GFAF C[C@H](NC(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO)c1ccccc1 2356699330 OKOQZWLTLATVKR-IPCLMVJGSA-N 389.536 2.801 0 1 GFAF COc1ccc2ccc(=O)oc2c1[C@@H]1O[C@@H]1[C@@](C)(O)COC(=O)CC(C)C 13383923 BDNFWOZHIWESCR-UFYCRDLUSA-N 376.405 2.582 0 1 GFAF biogenic CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)c1ccccc1C(=O)N2C 40950164 RMEZYLOXHPBCFH-UHFFFAOYSA-N 384.524 2.601 0 1 GFAF O=C(c1ccncc1)N1CCc2nc(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2C1 84588043 CRKWQAPCRGNYRI-UHFFFAOYSA-N 389.390 2.651 0 1 GFAF CC(C)C[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O 40754043 JVFIFHCOFJOVPE-HQHQJUQOSA-N 393.528 2.650 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO2 95688556 NNLGSVIPEFKMPH-YZVOILCLSA-N 391.512 2.519 0 1 GFAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(CC2CC2)CC1 95796193 KDFAFMBGWOMVFP-FQEVSTJZSA-N 383.536 2.909 0 1 GFAF Cc1cc2cc(NC(=O)C[C@@H]3C(=O)N[C@H](c4ccccn4)N[C@@H]3C)ccc2[nH]1 618013610 WHVIEQPOIMYGKR-JOTOCRJQSA-N 377.448 2.623 0 1 GFAF COc1cccc(CNC(=O)Nc2ccc(C3=NC=N[C@H]4NC=C[C@@H]34)cc2)c1 299870151 VXWKWVCSWMPYPN-AZUAARDMSA-N 375.432 2.907 0 1 GFAF C[C@@H]1Oc2c(cccc2C(=O)NCCCN2CCCc3ccccc32)NC1=O 653753990 LYAPTTNKIRHVBK-HNNXBMFYSA-N 379.460 2.979 0 1 GFAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1)c1ccc(F)cc1 587170825 TVJZXWMGDAKBSQ-INIZCTEOSA-N 398.419 2.871 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CO)c1ccccc12 587770816 RFQGEGUJHXTKIR-YPMLDQLKSA-N 391.240 2.662 0 1 GFAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc3ncccc3c2[nH]1 587227297 KHDVMPZQBINMOD-UHFFFAOYSA-N 389.415 2.654 0 1 GFAF CC(C)[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197304 DOJYKAFONWUTFR-CQSZACIVSA-N 382.486 2.774 0 1 GFAF Cc1cc(C)c2c(c1)[C@]1(N[C@H](C(=O)O)Cc3c1cnc1ccccc31)[C@@H](N)CC2 963237238 XAPYNAFTADCSDA-WPFOTENUSA-N 387.483 2.968 0 1 GFAF COc1ccccc1[C@@]1(CNC(C)C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963473127 RFXFXFFSZAMNNZ-HTAPYJJXSA-N 384.476 2.550 0 1 GFAF Nc1nc2c(cnn2CCOCc2ccccc2)c2nc(-c3ccco3)nn12 12405959 WFWZCXBEKOUWJL-UHFFFAOYSA-N 375.392 2.533 0 1 GFAF CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1 12726121 QBTRNSWZTVNAIG-UHFFFAOYSA-N 378.864 2.672 0 3 GFAF c1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)nc1 15779248 UXBGLLVYSWMTDX-UHFFFAOYSA-N 375.432 2.945 0 1 GFAF COc1ccccc1C[C@@H](O)C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 4062092 GTNAWQUISZAGQC-SJORKVTESA-N 385.460 2.955 0 3 GFAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3cccc(Cl)c3)C[C@H](O)[C@H]2CO)n1 2356288356 BNYJALUBFSZOSP-HAGHYFMRSA-N 389.927 2.944 0 1 GFAF COc1ccc(-c2cn([C@H]3CC[C@H](OCCO)CC3)c3nc(N)nc(C)c23)cn1 103259795 GFLOESCMAVVOIE-IYBDPMFKSA-N 397.479 2.885 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(CCc3ccccc3)C2=O)cn1 115731709 IWTNYLYQBLNFBD-UHFFFAOYSA-N 379.420 2.548 0 1 GFAF Cc1cc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)no1 104038795 JMGFZZWQVUGLHS-CABZTGNLSA-N 381.314 2.693 0 3 GFAF NC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)CCC(=O)Nc1cccc(Cl)c1 102938394 ZFTJOYJEPJVCAJ-QGZVFWFLSA-N 384.823 2.563 0 1 GFAF C[C@]12CC(=O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356523414 QVOASVIYQDJABT-TYVBSMSQSA-N 388.504 2.783 0 1 GFAF CC[C@@H]1C(C(=O)OC)=C2Nc3cc(OC)ccc3[C@]23CCN2C(=O)C=C[C@H]1[C@@H]23 2356645811 GAFRJVYOKFJQKI-GTUCUNSHSA-N 380.444 2.612 0 1 GFAF CC(=O)NCCc1c(Cc2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12 588782 XXLRISSQNXIRTP-UHFFFAOYSA-N 389.455 2.995 0 1 GFAF biogenic Cc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NC(C)C 3841042 CWRWQTRDMVLOPB-OPLZCHAUSA-N 380.554 2.782 0 1 GFAF biogenic C[C@@H]1C(=O)NN=C2COc3cc(-c4ccccc4F)c([C@@H]4CCN(C)C4)cc3N21 218882676 RVEGZHVWGSUYNT-ZIAGYGMSSA-N 394.450 2.942 0 1 GFAF COc1cc([C@@H]2c3cc4c(cc3C[C@H]3C(=O)OC[C@@H]32)OCO4)cc(OC)c1OC 15217399 CRUJVPABCWDZSK-QEEYODRMSA-N 398.411 2.918 0 1 GFAF biogenic Cn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1 45285861 MAMZCDKFGXUXCZ-UHFFFAOYSA-N 379.405 2.514 0 1 GFAF CC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2 82210190 ZHDWFWYIRACBAQ-QGZVFWFLSA-N 382.464 2.564 0 1 GFAF CCCNC(=O)N1[C@H](CNC(=O)c2ccc(F)cc2)[C@H](c2ccccc2)[C@@H]1CO 95895952 MJDWAAMJSXRTDT-AABGKKOBSA-N 399.466 2.504 0 1 GFAF Cc1cccc([C@@H]2C[C@H]2NCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1 95592860 AMEMBWOWTMXVHT-ZDFPQIBNSA-N 380.536 2.573 0 1 GFAF in-vitro CCOc1cccc(C2(N3CCN(c4ncncn4)CC3)[C@H]3CC(C)C[C@H]32)c1 96272383 ANPFSBYUHWCSQO-MXMNOXSKSA-N 379.508 2.964 0 1 GFAF O=C1C(Cl)=C(N2CCNCC2)C=N[C@H]1c1ncc(C(F)(F)F)cc1Cl 71415885 NDHVBCLZLRWNET-ZDUSSCGKSA-N 393.196 2.804 0 1 GFAF biogenic Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](C1CCCC1)OCC3 473082314 HFAUQBNFHMPJST-FQEVSTJZSA-N 379.460 2.967 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1csc(=N)[nH]1 587869656 OZISKSZBDYMMJQ-UHFFFAOYSA-N 383.355 2.724 0 1 GFAF CN1CCN(c2ccc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3c2)CC1 587034701 JVZYRAMNOUUASG-UHFFFAOYSA-N 395.532 2.795 0 1 GFAF N=c1nc(O)c2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2[nH]1 586961272 TYJBVBZXLPFMRA-MHZLTWQESA-N 379.445 2.509 0 1 GFAF COc1ccc(-n2cc([C@@]3(C)NCCc4ccc(C(=O)N(C)C)cc43)cn2)cc1 962922645 FQIOCHFBENLDFQ-HSZRJFAPSA-N 390.487 2.992 0 1 GFAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC(C)(C)O2 5070080 VOHRLHXXIJIXNU-RYRKJORJSA-N 376.497 2.558 0 1 GFAF CCOc1ccc2nc(N3CCC[C@@H](NCc4n[nH]c(C)n4)CC3)nc(C)c2c1 15007109 VDZJVNPZQTVLRL-MRXNPFEDSA-N 395.511 2.912 0 1 GFAF COC1CCC2(CC1)Cc1ccc(-c3cncs3)cc1[C@]21N=C(N)N(C)C1=O 201231838 VIKFIFLWVNYSCR-KUTOWUBSSA-N 396.516 2.924 0 1 GFAF CC(C)(C)Nc1nnc(-c2ccc3[nH]cc(-c4nccc(C(N)=O)n4)c3c2)o1 203729352 OSAJYFUYGLKCLG-UHFFFAOYSA-N 377.408 2.984 0 1 GFAF COc1cccc(NC(=O)C[C@]2(C)N=C(c3ccc4c(c3)OCO4)N(C)O2)c1 205229557 ITLNPOSCEBFARM-HXUWFJFHSA-N 383.404 2.793 0 3 GFAF CCS(=O)(=O)Nc1ccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)cc1 1857592061 ABNNYIBRILLJIK-UHFFFAOYSA-N 399.480 2.748 0 1 GFAF CN(C)C(=S)SC(=S)N1CCN(C(=S)Nc2ccccc2)CC1 1857633231 OAZCMALEORRTGU-UHFFFAOYSA-N 384.621 2.866 0 1 GFAF Nc1c2c(nc3c1[C@H](c1ccccc1)n1c(=O)c4ccccc4c(=O)n1-3)CCCC2 1857761179 FNIOZLJCIUGPPF-NRFANRHFSA-N 396.450 2.960 0 1 GFAF CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1OCC 932004 ZQHPPAHNWHYOBT-UHFFFAOYSA-N 397.435 2.785 0 3 GFAF CO[C@@H]1CC(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@@H](O)CC=C(C)C)[C@@H]1O 2356407217 SOFBPMULDJOALM-JRNVZTAUSA-N 376.449 2.783 0 1 GFAF CCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 4034760 YKDLLEXXDWYNDV-UHFFFAOYSA-N 399.532 2.521 0 3 GFAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4295932 QYZZSINNHNEXJF-JJXUHFIVSA-N 398.459 2.683 0 1 GFAF C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCC(=O)NO)cc23)c1 59132430 FGWHGVKXFQZFSP-UHFFFAOYSA-N 378.388 2.638 0 1 GFAF CCCCCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] 28649556 GAHWCWXEPCZKKX-UHFFFAOYSA-N 398.204 2.690 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC1=C2[C@@]3(C)CC[C@@H](O)[C@@]2(C)CO1 2356325893 SENHZXFMEPETDI-WRLHMUCQSA-N 376.493 2.942 0 1 GFAF Cn1c(N2CCN[C@H](c3cccc(Cl)c3)C2)nc(-c2ccncc2)cc1=O 116771602 FCHCEVYONFZMDW-SFHVURJKSA-N 381.867 2.647 0 1 GFAF CCCC(=O)CC1=C(C)[C@H](OC(=O)c2c(C)cc(O)cc2O)[C@@](C)(O)[C@H](O)C1 2356719683 DTAKGJIOWCMCMB-LMNJBCLMSA-N 392.448 2.523 0 1 GFAF CC=C[C@@H]1C=C2C=C[C@@H]3C[C@H](C)CC[C@@H]3[C@]2(C)C(=O)[C@]12C(=O)N[C@@H]([C@H](C)O)C2=O 2356839826 LYRFDYFCOSNCHT-CZJXVRLYSA-N 397.515 2.751 0 1 GFAF CN1CC[C@@H](c2c(O)cc(O)c3c(O)c/c(=N\c4ccccc4)oc23)[C@H](O)C1 33836697 BAKDMSIYUPKGBK-MOCURZHRSA-N 382.416 2.562 0 1 GFAF COc1c(O)cc2c(c1OC)O[C@@H]1c3cc(O)c(OC)c(OC)c3OC[C@H]21 14438257 OADZLSQNPZPBEF-ZWNOBZJWSA-N 376.361 2.742 0 1 GFAF biogenic C[N+](C)(C)[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O 13349834 GLYRJOBFHAWKCJ-SNVBAGLBSA-O 382.072 2.619 0 1 GFAF biogenic Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 40900139 NZIJRFICRMNCGN-PBHICJAKSA-N 380.510 2.781 0 1 GFAF COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccco2)c(OC)c1 195379300 OOWFXNSFZDCAJZ-NSMLZSOPSA-N 396.443 2.990 0 1 GFAF COC[C@@H](O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](OC)CC1=C[C@@H]3O 238734349 GIRBZGMOKYPJOD-DBYTUCKASA-N 394.552 2.529 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O 95692843 AZDABJQXNZGANX-YZVOILCLSA-N 391.512 2.519 0 1 GFAF COC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C 238774035 RRPIJHDEEYGWIX-YPPBHGAESA-N 392.492 2.677 0 1 GFAF Cc1cccnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl 146791287 AWKXNZGHJLWBIP-UHFFFAOYSA-N 387.915 2.752 0 1 GFAF CC(C)(C)OC(=O)N1C[C@H](c2nc3c(S)nc(S)nc3[nH]2)C(F)(F)C1 587132155 LJGDCAFALQBVTO-ZCFIWIBFSA-N 389.453 2.900 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Br)nc2[nH]1 587231172 MIOFSFKUCWAAPB-GHMZBOCLSA-N 381.274 2.757 0 1 GFAF COC(=O)[C@@]1(O)Cc2cc(Cl)ccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587379898 MHTUCANYLAVQOY-VQTJNVASSA-N 387.819 2.552 0 1 GFAF COc1cc(Br)c([C@@H](N)c2nc3ccnc(OC)c3[nH]2)cc1OC 586974918 HCQMGVGNNNVMDJ-CYBMUJFWSA-N 393.241 2.794 0 1 GFAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCCO 12479642 SKAFAJQMRWELKX-DZGCQCFKSA-N 386.473 2.767 0 3 GFAF C[C@H](c1nc(-c2ccccc2OC(F)(F)F)no1)[C@H](N)C(=O)N1CCCC1 14948403 WRTCEHNAVXRLKA-GWCFXTLKSA-N 384.358 2.688 0 1 GFAF Cc1nc(C(C)(C)NC(=O)c2ccc([C@H]3CCOC3)c(OCC3CC3)n2)no1 206690437 ZMVMMDXWLMDXCC-AWEZNQCLSA-N 386.452 2.731 0 1 GFAF Cc1cc(O)n(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccccc2)n1 1857627707 SNZFBNDKOHPPKS-UHFFFAOYSA-N 384.399 2.771 0 1 GFAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N[C@@H](C)c1ccccc1 6916395 VDQVZFFAZJQPAM-NSHDSACASA-N 392.381 2.940 0 1 GFAF CCN1C(=O)[C@@]2(N=c3ccccc3=C3Nc4ccccc4N32)c2cc(OC)ccc21 104028273 YHWVHLYTVBZSHW-XMMPIXPASA-N 396.450 2.546 0 3 GFAF N#Cc1cccc(N2C(=O)c3ccccc3[C@@]2(O)c2ccc3c(c2)NC(=O)CO3)c1 116253000 RGSGFWJUJNUZIO-QHCPKHFHSA-N 397.390 2.743 0 1 GFAF COc1ccc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nn1 28395377 AEMAAXAECNGOFH-UHFFFAOYSA-N 381.358 2.858 0 1 GFAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(Cc3nccs3)CCN21 2356303506 XARMUIAMQDBTIR-GOSISDBHSA-N 399.564 2.633 0 1 GFAF Nc1ccccc1NC(=O)CCCCNC(=O)C1=NN=C(c2ccccc2)C1 117590353 WFOGZMRGGQSKIS-UHFFFAOYSA-N 377.448 2.743 0 1 GFAF CNCc1cn(S(=O)(=O)c2cncc(Cl)c2)c(-c2cccnc2F)c1F 117251172 IMQLZXNLBXMGNV-UHFFFAOYSA-N 398.822 2.833 0 1 GFAF CN1C[C@H](c2cnc[nH]2)[C@@H]([C@@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 2356583867 KRIWASATEVGMCG-HOJAQTOUSA-N 375.428 2.971 0 1 GFAF COC(=O)C[C@H](O)C[C@H](O)C=Cc1c(C)ccc2c1[C@H](OC(C)=O)C[C@@H](C)C2 2356675296 PLYNBLLEIDIMDU-DOFJYSBOSA-N 390.476 2.870 0 1 GFAF COc1cc(-c2cn[nH]c2)cc2c(=O)[nH]c([C@H]3COc4ccccc4O3)nc12 66157575 XCQOUYJGBSOWEM-QGZVFWFLSA-N 376.372 2.834 0 1 GFAF CN[C@H]1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)C1 73166144 IOPNAADUDMMVAZ-VIFPVBQESA-N 378.299 2.987 0 1 GFAF CCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21 40951130 AQIVYCRQRUGSRD-FQEVSTJZSA-N 378.472 2.810 0 1 GFAF NC(=O)Nc1cc(-c2cc(F)cc(F)c2)sc1C(=O)N[C@H]1CCCNC1 84687945 BTOGCMMOZDSOAY-LBPRGKRZSA-N 380.420 2.666 0 1 GFAF CCCC[C@H](O)C1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@]3(O)C1 195296030 WBVBPFKXFKIIPB-SSNFMEOTSA-N 385.504 2.567 0 1 GFAF COc1cccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)c1 198346486 JVONZUTUVAVGPK-OAQYLSRUSA-N 377.440 2.939 0 1 GFAF OC[C@@H]1CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1 96168744 OLAUYNMIBWDUFV-MRXNPFEDSA-N 391.475 2.501 0 1 GFAF COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@H]3N2C)cc1 254104136 YSLXFKIOMUGVIN-CZAAIQMYSA-N 390.487 2.779 0 3 GFAF COC(=O)c1cc2[nH]c(-c3cccc(-c4cnc(=N)[nH]c4)c3)nc2cc1OC 587254801 PCYXXHQLVLEVFB-UHFFFAOYSA-N 375.388 2.895 0 1 GFAF CS(=O)(=O)c1ccc([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533770 VQJNBVSUMNQLBL-NRFANRHFSA-N 386.469 2.822 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)Nc1ccc(OC)nc1 587870138 ADBFXOQLJFUPBD-UHFFFAOYSA-N 384.367 2.770 0 1 GFAF COCc1nc([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cs1 962645194 VQEBKDGBCAEHSZ-LKFCYVNXSA-N 388.367 2.876 0 1 GFAF Cc1cc2c(cc1O)[C@](CO)(c1ccc(Cl)c(Cl)c1)N[C@H](C(=O)O)C2 963527969 RLAWCXKFSCLZGB-YJBOKZPZSA-N 382.243 2.842 0 1 GFAF O=C1c2ccccc2N(Cc2cccnc2)S(=O)(=O)N1Cc1ccccc1 5934179 BAIXPCXEJUSCDL-UHFFFAOYSA-N 379.441 2.989 0 1 GFAF O=C(NCCc1nccs1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12458852 MWYKVQWPYYZZEG-HNNXBMFYSA-N 391.924 2.937 0 3 GFAF COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)cc1 13673921 XRPAUIBGXYFJRR-UHFFFAOYSA-N 377.393 2.962 0 1 GFAF O=C(NCCc1cscn1)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 14965163 LOBRDKQXGOOQDJ-AWEZNQCLSA-N 377.897 2.894 0 3 GFAF Cc1nc(C(C)(C)NC(=O)c2ccc([C@@H]3CCOC3)c(OCC3CC3)n2)no1 206690394 ZMVMMDXWLMDXCC-CQSZACIVSA-N 386.452 2.731 0 1 GFAF Cc1nc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cs1 3814633 QKBNYDSLPAUAJP-UHFFFAOYSA-N 388.396 2.970 0 1 GFAF C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCO1 4410567 ANBKWOVLQRFZTG-NJAFHUGGSA-N 392.496 2.780 0 1 GFAF COc1ccc([C@]23OC[C@H](Cc4cc(OC)c(OC)cc42)[C@@H]3CO)cc1OC 6003310 CIQMFHJWBNOVQL-JKXTWKSPSA-N 386.444 2.776 0 1 GFAF Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ncc2nn1C 1911580224 URHFMNPDRLENOM-UHFFFAOYSA-N 391.262 2.597 0 1 GFAF CO[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@H]3C5 29485654 DRJFACWZQYBMLO-VWSOKVJYSA-N 383.488 2.647 0 1 GFAF O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(Cl)cn1 20574375 HMUCDZPVSFSAMR-UHFFFAOYSA-N 399.769 2.878 0 1 GFAF CC(C)(C)[C@H]1CCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891870 DCEXLYUJIXLNHO-FXAWDEMLSA-N 390.549 2.990 0 1 GFAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 61904656 DXFUUUQCGVTTQT-IBGZPJMESA-N 389.411 2.798 0 3 GFAF COc1ccc(Oc2ccc3c(C)nc(C(=O)NCC(=O)O)c(O)c3c2)cc1 114017154 MHMUTVWPLKKCIN-UHFFFAOYSA-N 382.372 2.864 0 1 GFAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccccc3Cl)C[C@@H](O)[C@H]2CO)n1 2356579611 BGTJKRQOHHMKRI-RAUXBKROSA-N 389.927 2.944 0 1 GFAF O=S(=O)(c1ccccc1)C(CN1CCCCC1)S(=O)(=O)c1ccccc1 31819872 OPCDWEXESUWDBE-UHFFFAOYSA-N 393.530 2.746 0 1 GFAF C[C@@H]1O[C@H](CC(=O)O)Cc2c1c(O)c1c3c(c4n(c23)[C@H]([C@H](C)O)CC4)C=CC1=O 13911943 AWMWNWIBOOYESP-RMIALFOJSA-N 397.427 2.902 0 1 GFAF biogenic,in-vitro Cc1ccc(N2C(=O)[C@H]3CN(C)[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 195497949 ZPKWWRSEUAPMJU-LFRPXUGBSA-N 395.846 2.547 0 1 GFAF COc1cc(C(=O)O)c(NC(=O)CCSc2ccccn2)c(OC)c1OC 96283156 CKHAAWSTTKQNJK-UHFFFAOYSA-N 392.433 2.927 0 1 GFAF CN1CCC(=O)[C@]2(C1)[C@@H](c1cccc(F)c1)CN(C)[C@@]21C(=O)Nc2ccccc21 96903839 NIMGFLSUXXNOGP-LEOXJPRUSA-N 393.462 2.593 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(CC(C)C)C(=O)c1ccccn1 95895966 JYEONRJNSJJOQW-BHDDXSALSA-N 395.503 2.555 0 1 GFAF C[C@@H](NC(=O)[C@H]1C(=O)N(CCO)[C@@]2(C)C[C@H]1c1ccccc1O2)c1ccccc1 251527983 MFKFSVAFSUHGOG-JXLZZSSXSA-N 394.471 2.597 0 3 GFAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3Oc3ccccc3)c2s1 299826915 FGZVAJDSBWDSEF-XIRDDKMYSA-N 386.473 2.918 0 1 GFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(F)cc(Br)c2[nH]1 587204338 QAVLGIOMANNSSV-LLVKDONJSA-N 385.237 2.543 0 1 GFAF CN1CCN(c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)CC1 587512550 FCCXHQKXXHVBJN-FQEVSTJZSA-N 378.476 2.814 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587035809 UADSYABKCYAWMT-ZDUSSCGKSA-N 377.491 2.731 0 1 GFAF Nc1nccc2[nH]c([C@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cc12 962983633 YYYJRJHLFQQLIG-SWLSCSKDSA-N 378.766 2.765 0 1 GFAF C[C@H](c1nc2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1)n1cccn1 1772584734 KDQVDBKIXNAPJC-HZPDHXFCSA-N 393.495 2.603 0 1 GFAF O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCNCC1 203340216 XFGITBUZQPGNNZ-UHFFFAOYSA-N 399.458 2.809 0 1 GFAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(OS(N)(=O)=O)cc1 1857588684 RRWCEXMTLFAJAV-QGZVFWFLSA-N 393.852 2.620 0 1 GFAF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(S(C)(=O)=O)cc1 1857606197 QJHMURXNIOSRNZ-CQSZACIVSA-N 383.473 2.982 0 1 GFAF CCOc1ccc(NS(=O)(=O)c2c(C)nc3sc(C)c(C)n3c2=O)cc1 8589388 QDTDZZBUUFLDBL-UHFFFAOYSA-N 393.490 2.881 0 1 GFAF CCC(CC)O[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]12 26567970 IIWGTNBXQDQDPK-DOTOQJQBSA-N 399.509 2.634 0 1 GFAF COc1ccc(-c2nc3c(C(=O)NCCN(C)C)cccc3[nH]2)c(OC)c1OC 27881078 IKRDJDBCQUTOOW-UHFFFAOYSA-N 398.463 2.547 0 1 GFAF CN(CCCN(C)c1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 27192222 DWASHYQVMJCHTD-HXUWFJFHSA-N 395.503 2.726 0 1 GFAF CS[C@]1(C(C)C)NC(=O)[C@@](Cc2c[nH]c3ccccc23)(SC)NC1=O 13430498 JXDWMFMAEDSXNI-MSOLQXFVSA-N 377.535 2.731 0 1 GFAF biogenic OCCNC(=S)Nc1ccc(-c2nnc(SCc3ccncc3)o2)cc1 73196788 WAUFMROBAPAZCU-UHFFFAOYSA-N 387.490 2.703 0 1 GFAF O=C(O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 146758456 FTBNLUSUCXCIGD-NGVALPOPSA-N 390.476 2.782 0 1 GFAF O=C(CN(Cc1ccccn1)Cc1ccccn1)NCc1ccc2c(c1)OCO2 230558890 MQKKQVPRVDZOOI-UHFFFAOYSA-N 390.443 2.524 0 1 GFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Cl)cnc(Cl)c2[nH]1 586929330 AWVZTHXSPZHCMD-UHFFFAOYSA-N 387.248 2.800 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2CCN(C)CC2)N1 587765959 LKIVERFEHASEEW-UGSOOPFHSA-N 384.337 2.975 0 1 GFAF Cc1ccnc2c1CCN[C@]21CCN(C(=O)OC(C)(C)C)C[C@@H]1CCCO 963069313 DGQDTGMDYCZRHS-KKSFZXQISA-N 375.513 2.761 0 1 GFAF O=C1Nc2ccccc2[C@]12CCN(CCN1CCN(c3ccc(F)cc3)CC1)C2 1857762029 LWGRHUWDGXJMLE-HSZRJFAPSA-N 394.494 2.544 0 1 GFAF Cc1ccc([C@H]2CC(=O)C[C@H](c3ccc(C)cc3)C23C(=O)NC(=O)NC3=O)cc1 1860522 RBIQWIHZDUHBLC-RTBURBONSA-N 390.439 2.886 0 1 GFAF COc1ccc(NC(=O)N2CC[C@](C)(O)[C@H](NC(C)=O)[C@H]2c2ccccc2)cc1 2356288622 ICRNYZZOFNZNML-SJBKTWHCSA-N 397.475 2.930 0 1 GFAF Cc1c(C(=O)NCC(c2ccccc2)c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] 101640922 VWBDZKGWGRJGJZ-UHFFFAOYSA-N 399.450 2.977 0 1 GFAF COc1cc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc2c1O[C@H](C)O2 115730705 GRIIRYYBRBSINS-GFCCVEGCSA-N 384.392 2.914 0 1 GFAF CC=C1CN2[C@H](OC)C[C@@]34C(=Nc5c(OC)cc(OC)cc53)[C@H]2C[C@H]1[C@@H]4C(=O)O 2356494934 XYBVYJHXXUTYAN-PZGLVCBISA-N 398.459 2.755 0 1 GFAF CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN 29571003 IIPVMVJYCSYFEH-IBGZPJMESA-N 388.512 2.706 0 1 GFAF O=C1[C@@H]2Cc3ccccc3N2C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 66073754 HCCUXWCDNCLIBL-SFHVURJKSA-N 378.409 2.922 0 1 GFAF COc1ccc2c(c1)OC(C)(C)C1=CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]12 72107920 PZMZKHSRDNMYLG-IBGZPJMESA-N 391.427 2.510 0 1 GFAF OC[C@H]1O[C@H](n2c(Cl)c(Cl)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 49792657 MGOAGVAGQMJWIE-VUXODMRMSA-N 387.046 2.866 0 1 GFAF CCCCOC(=O)COC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2)n1 82070771 XWWXMYCIBGYKHX-CYBMUJFWSA-N 390.461 2.815 0 1 GFAF O=C1COc2ccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cc2N1 84670582 ARKLWSACFFZBIQ-UHFFFAOYSA-N 399.520 2.991 0 1 GFAF CCN1C(=O)[C@]2(N=C1N)c1cc(OCC3CC3)ccc1CC21CCC(OC)CC1 140837071 DYEOAGVFIYRTCB-JTPBLVHTSA-N 397.519 2.979 0 1 GFAF c1cc2c(c(OC3CCOCC3)n1)C(c1cnn(CC3CCOCC3)c1)=NC2 96175994 DJTQVNLOQLCZPT-UHFFFAOYSA-N 382.464 2.614 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C(O)O)N1 587730712 KCZBUVADGLAHED-XYZCENFISA-N 384.220 2.816 0 1 GFAF Cn1cc(-c2ncc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)s2)cn1 587020784 BBZCPPHITMVDPT-UHFFFAOYSA-N 380.477 2.919 0 1 GFAF CC(C)[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197315 DWXZYRLCHSEKOV-CQSZACIVSA-N 382.486 2.774 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C)c(C)c3[nH]2)[C@H](C)O)cc1 586937859 UZRZJJARNVIQGF-UGSOOPFHSA-N 389.477 2.589 0 1 GFAF COc1cccc2cc3c(nc12)[C@H](c1ccc(O[C@@H](C)C(N)=O)cc1)NCC3 963051663 DRSNXVXFMKQGPL-RBZFPXEDSA-N 377.444 2.731 0 1 GFAF CCOc1ccc(Cc2cc([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 1772645635 YCEUTZKYUQXUCF-HWHGQFAYSA-N 392.879 2.872 0 1 GFAF NS(=O)(=O)c1ccc(Nc2nc3nc(O)nc(-c4ccccc4)c3s2)cc1 1772652369 LOEIXNHFJYBBDC-UHFFFAOYSA-N 399.457 2.850 0 1 GFAF Cn1cc([C@@H]2NC(=O)N[C@@H](c3ccc(C(=O)O)c(O)c3)[C@@H]2c2ccsc2)cn1 169688233 KQQKKFDAXNYXTL-ULQDDVLXSA-N 398.444 2.764 0 1 GFAF Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cnc3C(N)=O)cccc12 205944141 ZVFJBVQLKDPCSZ-UONOGXRCSA-N 379.468 2.791 0 1 GFAF COc1ccc(C)cc1NC(=O)CN[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 2633592 FFFKADLMQSJNHU-CQSZACIVSA-N 383.448 2.762 0 3 GFAF Cc1sc2ncnc(SCC(=O)N3CC(=O)N4CCC[C@@H]4C3)c2c1Cl 1911578613 TTZOLIYFIVLROB-SNVBAGLBSA-N 396.925 2.578 0 1 GFAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4043623 PIFWXBWASJVRLX-HDAAZOAOSA-N 397.475 2.857 0 1 GFAF Cn1c(=O)c2sccc2n2c(CCCC(=O)NCCC3=CCCCC3)nnc12 6868340 YMKKPMHMAHBPGI-UHFFFAOYSA-N 399.520 2.972 0 1 GFAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O 6937455 DHXIUTOVMQVAMU-HOTGVXAUSA-N 395.507 2.647 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccnc2)cc1 100094240 FIVSVTVQTSCGQH-KOUNCHBCSA-N 391.496 2.877 0 1 GFAF COc1cccc(N2C(SCC(N)=O)=NN/C2=C2\C=Nc3ccccc32)c1 104036984 XMQGIVBDFDATRT-SDXDJHTJSA-N 379.445 2.679 0 3 GFAF CCc1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1 25975903 JEVJEXOPWIYIHY-UGKGYDQZSA-N 392.507 2.816 0 1 GFAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccsc2)O1 28974858 NEHJYAUOFHQEHN-XELLLNAOSA-N 395.381 2.815 0 1 GFAF COC(=O)[C@]12CCC[C@@]3([C@@H]1CC[C@@H]1[C@@H](C)c4ccoc4[C@@H](O)[C@H]13)[C@H](O)OC2 2356711988 IUERDUXXUQLZOY-PVWIGEMCSA-N 376.449 2.751 0 1 GFAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 2356737883 YGYJZDJSMUWKQG-OGWHTMIXSA-N 392.569 2.691 0 1 GFAF COc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](NC(C)=O)[C@@H]2c2ccccc2)cc1 2356770424 QCOOOIUTVJWVIA-ONTIZHBOSA-N 382.460 2.538 0 1 GFAF CS(=O)(=O)N1CCC(Nc2nccc(Nc3ccc(Cl)cc3)n2)CC1 299827859 IOYDHHUBFZBAKZ-UHFFFAOYSA-N 381.889 2.710 0 1 GFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)C2(N1)c1ncccc1-c1cccnc12 963223730 HIHHNKPUBBQLFJ-IBGZPJMESA-N 380.407 2.896 0 1 GFAF Cc1c(O)ccc2c1[C@@H](c1ccccc1N1CCO[C@@H](C)C1)N[C@H](C(=O)O)C2 963490640 LJSHHTLUVIGZAB-IBNJYYFUSA-N 382.460 2.614 0 1 GFAF CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3ccncc3)c3ccccc13)C2 1772649875 CZGIEPVVDFGOTO-XGWQRUHWSA-N 376.460 2.617 0 1 GFAF COC(=O)c1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651129 WYYBUAZSZXSEQZ-GOSISDBHSA-N 376.412 2.972 0 1 GFAF CC(C)(C)[C@H]1C=C(C(=O)N2CCOCC2)O[C@@H](OCc2ccc(CO)cc2)C1 13656745 MQWLUXIQBFKVGS-AZUAARDMSA-N 389.492 2.847 0 3 GFAF CC(C)N1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O 13782365 KKTPGSBDSZRGAT-UHFFFAOYSA-N 375.488 2.763 0 1 GFAF COc1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)cc1F 169706106 MIOZWWXFVVGLKA-UHFFFAOYSA-N 393.426 2.789 0 1 GFAF CC(=O)NCC[C@@H]1CN(C(=O)/C=C/I)c2ccccc21 1644525 MHGHKECOHLJWOC-WAFBPQNNSA-N 384.217 2.592 0 1 GFAF O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)[C@@H]1C(=O)c1cccs1 100281440 LAKHKGBLDBNBHN-SJORKVTESA-N 377.425 2.690 0 1 GFAF CCOC(=O)CCN1C(=O)c2ccccc2[C@H](CC(=O)c2ccccc2)C1=O 29348205 PRSIOCSNDOJBTM-SFHVURJKSA-N 379.412 2.979 0 1 GFAF Cc1c2c(cc3c(=O)cc(N4CCOCC4)oc13)C[C@H](CN1CCCCC1)O2 26577754 MMFIZRDSJFTHKM-QGZVFWFLSA-N 384.476 2.727 0 1 GFAF C[C@@H](O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28137245 XAXNFMSEGUTPQS-GFCCVEGCSA-N 377.872 2.703 0 1 GFAF CCOc1ccc(OCC)c(NC(=O)c2cc(CN3CCOCC3)on2)c1 21236695 DSGHPAVWRZJIIX-UHFFFAOYSA-N 375.425 2.557 0 1 GFAF O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Nc1ccccc1 69058755 NGIQPJZGWSFSRO-QGZVFWFLSA-N 388.468 2.712 0 1 GFAF CN1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)CC1 73168486 NKCONADKOQDWAP-UHFFFAOYSA-N 378.299 2.941 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)c1c[nH]c2ccccc12 45316543 FAXCOIFDMVSXRA-UHFFFAOYSA-N 395.846 2.989 0 1 GFAF NC1(Cc2ccc(Cl)cc2Cl)CCN(c2ncnc3nc(O)[nH]c23)CC1 45335735 UTOUZRCPKJQTHW-UHFFFAOYSA-N 393.278 2.906 0 1 GFAF COCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21 43022973 CMFVHXWONLKWQY-UHFFFAOYSA-N 397.541 2.668 0 1 GFAF COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCC4)C3=C2)cn1 149084015 XMXWQEOSRWRHAD-UHFFFAOYSA-N 376.460 2.983 0 1 GFAF Cc1nc(N2CC(c3nc4cccc(F)c4[nH]3)C2)cc(-n2nc(C)nc2C)n1 143128068 IUVNLRUSBDVKKG-UHFFFAOYSA-N 378.415 2.602 0 1 GFAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 95893983 DLGIRMAQUIZYPA-XUVXKRRUSA-N 394.475 2.985 0 1 GFAF C[C@@H]1C[C@H](n2c(=O)[nH]c3ccccc32)CCN1CCNC(=O)c1ccc(F)cc1 299836506 NMSOMEDMEITKLR-CRAIPNDOSA-N 396.466 2.924 0 1 GFAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ncc[nH]c-4n3)CC2)cc1 586955768 UVTLJYLQURUXCO-UHFFFAOYSA-N 385.493 2.996 0 1 GFAF CN(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928944 MVUVMNRDEHXMFE-UHFFFAOYSA-N 397.815 2.874 0 1 GFAF CCCC[C@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963688855 XAMYPXOGAURQTO-HKBOAZHASA-N 396.487 2.950 0 1 GFAF CCn1cc([C@]2(CC(=O)C(=O)OC)c3c(F)cccc3C[C@@H]3CCCN32)c(C)n1 963100750 JDAPZJQRZJARDJ-KSFYIVLOSA-N 399.466 2.747 0 1 GFAF CCO[C@H](C)c1ccc([C@]2(CN)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963527978 RNPTVOVMERNVKS-GHNFSYLKSA-N 384.476 2.599 0 1 GFAF C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N(C)[C@H](C)[C@H](O)c1ccccc1 13649028 BWKDAPHQCSKUFE-MNVSYLFESA-N 390.430 2.593 0 1 GFAF O=C(NC[C@H]1CCCOC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166223134 MJMWPCKMOYAGBH-OAHLLOKOSA-N 380.448 2.786 0 1 GFAF O=C(c1ncc(F)cc1F)N1CCn2nc(COc3cccc(F)c3)cc2C1 168076733 SYDRNVGYRADSCS-UHFFFAOYSA-N 388.349 2.930 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@@H]3CC[C@@H]([C@@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1 168711089 XOHZZDFJOIMTMY-LEYGVYNDSA-N 378.350 2.627 0 1 GFAF COc1ccc([C@@H](CCO)Nc2ccc(C(=O)Nc3onc(C)c3C)nn2)cc1 207423001 SQXUYZVJTYGBQE-MRXNPFEDSA-N 397.435 2.878 0 1 GFAF CCS(=O)(=O)Nc1cccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c1 1857550383 BXCQGHLCBMEORN-UHFFFAOYSA-N 399.480 2.748 0 1 GFAF Cc1nc[nH]c1Cn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21 1857579157 LUSPKHAKXCBHNO-UHFFFAOYSA-N 380.473 2.856 0 1 GFAF CN(C)C(=S)SC(=S)N1CCN(C(=S)NCc2ccccc2)CC1 1857745961 ZDUFRMODUFZDQA-UHFFFAOYSA-N 398.648 2.543 0 1 GFAF COc1cccc(C(=O)NCCCCN2CCc3cc(OC)c(O)cc3C2)c1 1857773264 BFQHXMFESCIHFB-UHFFFAOYSA-N 384.476 2.978 0 1 GFAF C[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O 2965505 WCZJLBSGLPJDJK-LBPRGKRZSA-N 389.440 2.606 0 3 GFAF COc1ccc(N2C[C@@H](NC(=O)N3CCc4ccccc43)CC2=O)cc1OC 4479825 BLDZWPGJIAVAMH-HNNXBMFYSA-N 381.432 2.581 0 3 GFAF O=C(O)CONC(=O)COc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103199458 VOSFNHHMWBOBSF-UHFFFAOYSA-N 387.175 2.692 0 1 GFAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(Nc4ccccc4)oc23)[C@H](O)C1 100371710 CSPOYMBTEMGPFC-CXAGYDPISA-N 382.416 2.728 0 1 GFAF COc1cc(CCC(=O)NCCc2c[nH]c3ccc(O)cc23)cc(OC)c1O 103221424 GSBQPVCFQBQDBB-UHFFFAOYSA-N 384.432 2.888 0 1 GFAF CC(C)(C)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(NC(C)(C)C)n1 103269429 UDCQLEBCQGHERP-UHFFFAOYSA-N 393.517 2.683 0 1 GFAF CCOC(=O)/C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 102230323 BABVEBNJYXWYQX-QQBSYFJQSA-N 381.428 2.577 0 1 GFAF COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(=O)(=O)c1ccccc1 27082435 UDJFUPPIMHPAPB-YOEHRIQHSA-N 393.848 2.781 0 1 GFAF CN1C[C@H](c2cn(C)cn2)[C@H]([C@@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 2356686939 XYZPRKPYRIPTFB-HLAWJBBLSA-N 389.455 2.981 0 1 GFAF COc1ccc2cc(-c3nc(N)nc(N4N=C(C)CC4(C)C)n3)c(=N)oc2c1 31909229 MZGWBIFLAYDIFL-UHFFFAOYSA-N 379.424 2.720 0 1 GFAF CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)N1CCC(O)CC1 5434173 WLWLZVFWPODUFR-GJZGRUSLSA-N 393.915 2.597 0 1 GFAF biogenic CN(C)Cc1ccc(CSCCNc2cc(C3CCNCC3)ncn2)o1 39500700 PYTRZEDQQHSTPZ-UHFFFAOYSA-N 375.542 2.944 0 1 GFAF COc1ccc2c(c1)CCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2 49785840 LZHPQDAZPOPFGO-UHFFFAOYSA-N 382.445 2.642 0 1 GFAF Cc1cc(N)nc(C[C@H]2CNC[C@@H]2OCCNC[C@H](F)c2cccc(F)c2)c1 49054898 NOLWAWWUERSXHH-VDGAXYAQSA-N 390.478 2.559 0 1 GFAF COC(=O)CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 199228756 CNLZLPCEMCSOMY-GOSISDBHSA-N 375.446 2.537 0 3 GFAF NC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 45350282 WBJAZESJVZUWOQ-UHFFFAOYSA-N 380.897 2.607 0 1 GFAF Cc1cc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)cnc1F 220719775 GHRVXMFUXOXBGC-OAQYLSRUSA-N 383.423 2.924 0 1 GFAF C=C1[C@H]2C[C@H](C[C@H]1OC(=O)C(C)(C)[C@@H](C)O)[C@]21CO[C@]2(C[C@H](C)C(=O)O2)C1 141150284 ZRQVIGLTTXPLCI-MSOWJARESA-N 378.465 2.587 0 1 GFAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cccc(OC)c1 95894781 DVBSRULSALQOGV-VSKRKVRLSA-N 395.503 2.964 0 1 GFAF CC(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@H]21 25227368 ZQJOKHUICKYDOC-FUMNGEBKSA-N 398.415 2.698 0 1 GFAF biogenic c1ccc(OCc2cn([C@@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@@H]43)nn2)cc1 36369376 ITOWZWWTAQIUIR-DXBBTUNJSA-N 398.507 2.734 0 1 GFAF biogenic COCc1cc(O)nc(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)n1 299829553 HQGFQAPYKSSVSA-UHFFFAOYSA-N 387.845 2.613 0 1 GFAF CN1CCN(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587599037 YNRFGTXBAJAFMF-DENIHFKCSA-N 396.487 2.996 0 1 GFAF CC(C)(C)OC(=O)N1CCC[C@@]2(CCc3nc4nc(O)nc(O)c4cc3C2)C1 587556743 DJUIAFKFUJMTKT-FQEVSTJZSA-N 386.452 2.942 0 1 GFAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cs1 587020249 JVWJNQBHXVJCOU-UHFFFAOYSA-N 398.452 2.933 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(Br)c2[nH]1 586943970 DDTXTWJYUUBCGE-UHFFFAOYSA-N 384.255 2.943 0 1 GFAF O=C1CCc2cc3nc(-c4nccnc4I)[nH]c3cc2N1 587186366 JCSRJUGHWHHHEC-UHFFFAOYSA-N 391.172 2.509 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Br)cnc3F)[nH]c12 587178256 XLOWABWKYAPYFV-UHFFFAOYSA-N 399.245 2.777 0 1 GFAF CC(C)Oc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 586942845 QALVSDVXPWADTB-UHFFFAOYSA-N 394.884 2.920 0 1 GFAF COc1cc2c3c(c1)O[C@@H](/C(I)=C/N(C)C)[C@@H](C2)C3=O 587429033 SNDFZSPUVIFPSF-BXMYHXJOSA-N 385.201 2.649 0 1 GFAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCC(N)=O 587376701 SXXOPRXCCKHWSR-OAHLLOKOSA-N 390.823 2.810 0 1 GFAF CC(C)(CO)[C@@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 586902142 ZQRTXAGBXKMWIQ-QMMMGPOBSA-N 379.052 2.535 0 1 GFAF COc1cc(I)c([C@H]2NCCc3ccc(O)cc32)cn1 963352118 IYDZKIHVMQATPY-HNNXBMFYSA-N 382.201 2.636 0 1 GFAF Cc1ccc(CN2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)o1 12431976 WUEXKAVDQHCXAX-FQEVSTJZSA-N 389.540 2.560 0 3 GFAF CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCN 13587108 YKBFJHZDRYDDLG-IBGZPJMESA-N 377.529 2.635 0 1 GFAF Cc1nc2cnc(Nc3ccnc(NCC(C)(C)C(N)=O)n3)cc2n1C(C)C 209355022 MTUQMGZENJYREJ-UHFFFAOYSA-N 382.472 2.778 0 1 GFAF in-vitro Cc1c(S(=O)(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccccc12 203660453 GEXBRQGCNOOVQS-UHFFFAOYSA-N 399.516 2.834 0 1 GFAF CCn1c(C(=O)N2CCC(C(=O)NCCCOC)CC2)cc2sccc21 6820801 WWDYHPXNALTZEP-UHFFFAOYSA-N 377.510 2.728 0 1 GFAF CCCC[C@@]12[C@@H]3C[C@H]4[C@H]([C@@H](C)C=C5OC(=O)C(C)=C5OC)[C@@](O)(O3)[C@H]1CCN42 2356480664 LLRUDQNWYFSTOW-QKMDGAIVSA-N 389.492 2.724 0 1 GFAF COc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(NS(C)(=O)=O)nn32)cc1 104042256 HSMWDYDOMFJCPQ-QGZVFWFLSA-N 397.460 2.714 0 1 GFAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2CCC3 26393679 RBIIIWDNGAAFOF-QHCPKHFHSA-N 388.423 2.568 0 1 GFAF COc1cccc(-c2ccc(F)cc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 117706921 XLMJRDQLZYJXGV-OAHLLOKOSA-N 379.395 2.604 0 1 GFAF CC(C)[C@]1(O)CC[C@]2(C)CC(=O)[C@@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 32296224 SDXQLRZOKZYCOX-FVQLTZBISA-N 390.476 2.835 0 1 GFAF CC1(C)Oc2cc3oc([C@H](O)Cc4ccccc4)cc(=O)c3c(O)c2C[C@H]1O 85593598 ICVZNVCTUUYGAV-AUUYWEPGSA-N 382.412 2.849 0 1 GFAF biogenic,in-vitro CN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccncc1 95895579 XSFWAVUYQBWYGE-BDTNDASRSA-N 377.488 2.837 0 1 GFAF O=C1N[C@H](Cc2ccccc2)COCn2nncc2CC[C@@H]1Cc1ccccc1 95898424 GCRQLEHINYBJQK-NHCUHLMSSA-N 390.487 2.785 0 1 GFAF NC(=O)c1cccc2[nH]n(C3CCN(C4CCC(F)(F)CC4)CC3)c(=O)c12 146876092 WEUSDVLSZAFNCO-UHFFFAOYSA-N 378.423 2.643 0 1 GFAF Cc1cc(N2C[C@@H](C(=O)NCc3ccc(F)c(F)c3Cl)N(C)C2=O)ccn1 95565612 NYWBOLVASYZOSM-AWEZNQCLSA-N 394.809 2.878 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 95794183 WQIKEGRFRUPLDM-PZJWPPBQSA-N 386.442 2.916 0 1 GFAF NS(=O)(=O)c1ccc2nc(-n3cc(C=O)c(-c4ccccc4)n3)sc2c1 299821501 KQRADMUDFJFMBB-UHFFFAOYSA-N 384.442 2.609 0 1 GFAF CCOC(=O)[C@@]1(c2nccn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756995 UBCITUGNKXACJQ-DYZYQPBXSA-N 396.260 2.663 0 1 GFAF COC(=O)[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807192 LKBAOZHUPRJJMH-XLFHBGCDSA-N 384.245 2.860 0 1 GFAF Cn1cc(-c2cccc(Br)c2-n2c(O)cc(C(=O)O)c2O)cn1 587935918 RTHVWKKENDBCJP-UHFFFAOYSA-N 378.182 2.750 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586900890 NZRYQBXJWOCKRW-UHFFFAOYSA-N 397.412 2.862 0 1 GFAF C[C@]1(CC(=O)N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347867 VJNYYWBZLDDABQ-RBBKRZOGSA-N 399.418 2.898 0 1 GFAF CNc1nc(C[C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ns1 962978498 RLUGNGUMJIBMCL-RFAUZJTJSA-N 388.827 2.568 0 1 GFAF COC(=O)[C@@]1(CC(=O)c2ccc(C)o2)NCCc2cc3cccc(OC)c3nc21 963052916 FFALGVVOQITCRR-QFIPXVFZSA-N 394.427 2.932 0 1 GFAF CC(C)n1nc(-c2cc(CCCC(=O)N3CCCC3)on2)c2c(N)ncnc21 1772618667 RIXCTUWWKTXGDD-UHFFFAOYSA-N 383.456 2.590 0 1 GFAF COC(=O)[C@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19209097 XWKQYSFFCKQMDI-RQXXJAGISA-N 396.418 2.516 0 1 GFAF COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)c(F)c1 1857542647 DGWHNVKJUCFQPA-LJQANCHMSA-N 392.333 2.762 0 1 GFAF CN(C(=O)C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)[C@@H]1CCOC1 1857596148 KWUSZAZDWRVZSF-GOSISDBHSA-N 384.455 2.746 0 1 GFAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cncc(F)c4)c(=O)n1c23 1857741877 AQJSVLJXJCBKAH-SNVBAGLBSA-N 385.370 2.818 0 1 GFAF CC1(C)OC[C@](CO)([C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@@H]3CC[C@H](O)[C@]4(C)CO)C2)O1 2356408830 QQACSPRYRQAXGF-MLCPLWHUSA-N 380.525 2.633 0 1 GFAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c1 4206715 KRKYMDCCPLGTQZ-HKUYNNGSSA-N 388.851 2.939 0 1 GFAF CN(Cc1ccccc1)C(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO 2356433055 VBUNZZDOPDHHED-APGOMEQCSA-N 389.536 2.582 0 1 GFAF CC(C)CCNC[C@@H]1O[C@@H](Cc2cc(CN3CCCCC3)on2)CC[C@H]1O 2356301448 ANGOZRYREDMATQ-NRSPTQNISA-N 379.545 2.747 0 1 GFAF Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)[C@@H]3CCCO3)cc2c1 8579352 IXOZFNJFOLNEGL-MOPGFXCFSA-N 384.476 2.832 0 3 GFAF CC(C)NC(=O)Nc1ccc2c(Cl)c(OCCSC(=N)N)oc(=O)c2c1 28758095 GCEHGPORXBRCEB-UHFFFAOYSA-N 398.872 2.982 0 1 GFAF CCc1c(C(=O)C(N)=O)c2c(CC(=O)O)cc(C)cc2n1Cc1ccccc1 27560734 HESYYGYYOFPVJJ-UHFFFAOYSA-N 378.428 2.856 0 1 GFAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N(CCO)CCO)nc21 26397809 GUDQVRWWXUKBCC-UHFFFAOYSA-N 390.875 2.595 0 1 GFAF COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccccc2Cl)CC1 7096748 KODIVOYGKUYYED-UHFFFAOYSA-N 388.851 2.854 0 1 GFAF biogenic CC(=O)c1ccc(NC(=O)N2CCN3C(=O)N(C4CCCCC4)C(=O)[C@H]3C2)cc1 12605309 COJBEFKAIJIHED-GOSISDBHSA-N 398.463 2.702 0 1 GFAF biogenic CC(=O)O[C@]1(C)[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2 238743916 ADJTVQDIBOKSAE-FYUHAARTSA-N 392.492 2.916 0 1 GFAF COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(N)cc2)[nH]1)C(C)C 95603195 HVNDEWJOKNLHGU-IRXDYDNUSA-N 385.468 2.703 0 1 GFAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(CN)cc4)ccc31)[C@@H]1CC[C@H](C2)N1 96175136 AJMPBKFJRDIAGM-KDOFPFPSSA-N 381.501 2.819 0 1 GFAF CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C 96272193 UCVMUNOGYXEBNW-XLIONFOSSA-N 380.916 2.947 0 1 GFAF COC1CCC2(CC1)Cc1ccc(OCCC3CC3)cc1[C@@]21N=C(N)N(C)C1=O 141150701 BUCFOFLBQLCAHZ-KGBGCIRMSA-N 397.519 2.979 0 1 GFAF COc1cccc(C2=NCC(=O)N3CCc4c(ccc(OC)c4OC)C3=C2)c1 149093994 ORSMXBJUCUYTCT-UHFFFAOYSA-N 378.428 2.941 0 1 GFAF CC(=O)N1[C@H](CNC(=O)C2CC2)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95895446 BLSCEVGOPDFIED-FSSWDIPSSA-N 396.462 2.694 0 1 GFAF CCO[P@](=O)(CCc1ccc(=N)[nH]c1)Oc1ccc2c(c1)C(=O)N(C)C2=O 473088707 JLCYKFKAMADATL-HHHXNRCGSA-N 389.348 2.571 0 1 GFAF COC1CN(C(=O)c2ccc3[nH]nc(Cc4ccc5c(cnn5C)c4)c3c2)C1 653746447 WWSYRAJTUUAHEC-UHFFFAOYSA-N 375.432 2.511 0 1 GFAF CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)CCc2ccccc21 653739171 QIFUAERRNRWOHL-SFHVURJKSA-N 375.428 2.973 0 1 GFAF COC(=O)C[C@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587776580 YCDVRCZTKRUFRB-DYZYQPBXSA-N 394.244 2.719 0 1 GFAF O=C(O)[C@H]1CC[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603929 QDDUCZWAJKQLAT-YZSGSJFYSA-N 398.367 2.678 0 1 GFAF COC(=O)c1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1 587197698 SUBVODOECDGJAE-LBPRGKRZSA-N 390.440 2.661 0 1 GFAF CCOC(=O)[C@H]1CN(C)CC[C@]12c1ccsc1CCN2Cc1cccnc1 962991907 FVGNZKCAQIIJRW-NQIIRXRSSA-N 385.533 2.912 0 1 GFAF Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3(C)COC3)c2)c(C)cc1F 221649779 BCKDJTFKSHLIJV-UHFFFAOYSA-N 392.452 2.762 0 1 GFAF O=C(COC(=O)CNC(=O)c1ccccc1Cl)Nc1ccccc1Cl 11405118 NZIDGOHDVVZTSG-UHFFFAOYSA-N 381.215 2.905 0 3 GFAF Cc1cnc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)[nH]1 12302878 UECURFIIPSRNCE-INIZCTEOSA-N 388.899 2.811 0 3 GFAF NC(=O)[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 13449308 ICAWTAHWBSSMPY-WMLDXEAASA-N 398.334 2.867 0 1 GFAF CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 13472373 GXSUORPDPIUXJS-UHFFFAOYSA-N 387.403 2.935 0 1 GFAF CS(=O)(=O)c1ccc(-c2cc3c(cc2CN2CCCCC2=O)OCO3)cc1 13530491 GGVMQBYYODDZQC-UHFFFAOYSA-N 387.457 2.998 0 1 GFAF COc1ccc(C[C@]2(CCC(=O)N[C@@H]3CCOC3)CCC(=O)N2)c2ccccc12 14886590 IBXSPLXLESKATE-HXOBKFHXSA-N 396.487 2.725 0 1 GFAF CCCn1c2nc(C34CCC(C(=O)O)(CC3)CC4)nc-2c2n(c1=O)C[C@H](CC)N2 169719750 ICGYLUFLIGIQPB-GQKRIFGNSA-N 399.495 2.835 0 1 GFAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(-c4ccnc(F)c4)nc23)S1 167485857 WFLWSNQOGGYIHH-ACAGNQJTSA-N 396.407 2.829 0 1 GFAF O=C([C@@H]1CSCN1C(=O)C[C@@H]1CCc2ccccc2C1)N1CCSC1 3777745 ASOHNXJUFBVMFY-PBHICJAKSA-N 376.547 2.616 0 1 GFAF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)c2ccco2)C1 4202204 WXLSIYMEIXMMRJ-SJLPKXTDSA-N 385.464 2.578 0 1 GFAF CN1CCN(CCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 20286853 SPMZQCPPVSNJIQ-UHFFFAOYSA-N 386.927 2.744 0 1 GFAF Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc12 102858295 BLMTUDYNTGOGPS-KCXAZCMYSA-N 382.416 2.604 0 1 GFAF O=C(O)CCCC(=O)Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 29321884 RPNUAANDYXKVKP-UHFFFAOYSA-N 381.384 2.686 0 1 GFAF Cc1nc(N)nc(-c2cc(-c3cnn(C)c3)cnc2Nc2cncc(F)c2)n1 113155328 OMYBHUDEVBJOJR-UHFFFAOYSA-N 377.387 2.502 0 1 GFAF C[C@@]1(C(=O)NCc2ccccc2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61906696 ALDATMFHJBFJNH-QHCPKHFHSA-N 387.439 2.858 0 3 GFAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc3ccccc3o2)n1 114078325 UNTRPEXZLPRKLH-UHFFFAOYSA-N 376.420 2.597 0 1 GFAF COc1ccc(C(=O)N2CC[C@](C)(O)[C@H](NC(C)=O)[C@H]2c2ccccc2)cc1 2356770425 QCOOOIUTVJWVIA-SJBKTWHCSA-N 382.460 2.538 0 1 GFAF O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(Cc3cccnc3)C[C@@H]2O)CC1 72181041 QPXCZQCUAHMROY-VXKWHMMOSA-N 397.494 2.751 0 1 GFAF CC(=O)OC[C@]12[C@@H](CCC[C@@]13CO3)[C@@](C)(CCC1=CC(=O)OC1)[C@@H](C)C[C@H]2O 15157468 QDGFAVMJPYRERF-KEFAITNDSA-N 392.492 2.775 0 1 GFAF biogenic C[C@@H]1C[C@H]2O[C@H](CO)C[C@H]2O[C@@]12CC[C@]1(CC=C[C@@H](/C=C/CCC(=O)O)O1)O2 40576764 NRPAJSHSQQDCGG-SJKDKQOCSA-N 394.464 2.530 0 1 GFAF COc1ccc2cc(C(=O)CN3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 96905772 GDFNKJSVDGBNRH-UHFFFAOYSA-N 392.455 2.802 0 1 GFAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 95893986 DLGIRMAQUIZYPA-SLFFLAALSA-N 394.475 2.985 0 1 GFAF O=C1c2c(O)cc(O)c(Cc3cccc(O)c3)c2O[C@@H](c2ccc(O)cc2)[C@@H]1O 95911975 QTQFIIUIOXANIY-RTWAWAEBSA-N 394.379 2.777 0 1 GFAF biogenic,in-vitro CCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1 95894851 PEQCJJQCTRUYBM-URVUXULASA-N 382.504 2.845 0 1 GFAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 251854606 PHTKJTQURPUOOM-ZIFCJYIRSA-N 399.601 2.760 0 3 GFAF CCOC(=O)[C@H]1Cc2cc(C)ncc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437339 YDIFSAUQWSALNM-MCFFVMPBSA-N 379.412 2.777 0 1 GFAF CC(C)(C)OC(=O)N1CC[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 587654835 NVERHEOMKPWPLT-LBPRGKRZSA-N 377.828 2.947 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN2CCN(C)CC2)N1 587766253 MSTLBWZOJIJFQP-FZKQIMNGSA-N 384.337 2.975 0 1 GFAF CCO[C@@H]1[C@@H]2C[C@H]([C@@H](C)O)[C@@H]3N1CCc1c([nH]c4ccccc14)[C@]3(C(=O)OC)C2 13408417 ZCNBXQWUBWONCS-IBSIAQDWSA-N 398.503 2.589 0 1 GFAF CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C1 169340841 ULBCYACPECVNJZ-MOPGFXCFSA-N 399.535 2.579 0 1 GFAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2cn[nH]c2cn1 169342456 CKBJJCBJCLGSFE-UHFFFAOYSA-N 392.440 2.721 0 1 GFAF COC(=O)/N=c1\[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2[nH]1 1663036 KZXUVZISLUGOJI-UHFFFAOYSA-N 380.813 2.617 0 1 GFAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 4040707 UWECVXKHSTXTSR-LMMKCTJWSA-N 387.505 2.793 0 1 GFAF Nc1nc(N)c2c(OCC3CCN(C(=O)c4ccccc4F)CC3)cccc2n1 28971737 IRNXSOYWRBXYJT-UHFFFAOYSA-N 395.438 2.865 0 1 GFAF O=C(O)COC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C3Cc4ccccc4C3)[C@@H]2C1 26148365 NEGVZYCQCRRXQS-CVSINQSCSA-N 398.499 2.753 0 1 GFAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@H](NCC3CC3)CO[C@@H]12 2356825061 HBKPBRKKLZFTFV-FPCVCCKLSA-N 386.370 2.788 0 1 GFAF COc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)c(OC)c1 66259219 XMGATXNXBWRZOO-UHFFFAOYSA-N 399.403 2.541 0 1 GFAF COC(=O)c1ccc(Cn2c(C)c(C(=O)NCc3cccs3)sc2=O)o1 61903730 TUGSBQUVFUPFIX-UHFFFAOYSA-N 392.458 2.638 0 3 GFAF CCc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cs1 72183040 GAYCZOAOOLHOPO-FQEVSTJZSA-N 377.473 2.798 0 1 GFAF Cc1ncc(-c2ccnc(Nc3ccc(C(=O)NCCO)cc3)n2)n1C(C)C 45497557 CCYZUUUAWLVFFY-UHFFFAOYSA-N 380.452 2.695 0 1 GFAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cc1OC(F)(F)F 221326948 SJWQYTUGIWKENO-RYUDHWBXSA-N 393.369 2.874 0 1 GFAF COC(=O)C1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144717362 YYOJCMIERYIBFL-LJQANCHMSA-N 391.345 2.710 0 1 GFAF O=C(c1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1 144807718 UXGKINYHMPFDCK-KRWDZBQOSA-N 383.753 2.935 0 1 GFAF CN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](CCO)C1 587350317 ZEIGMLRXBYRUQN-QPJICYPMSA-N 385.435 2.963 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C=C(C)N(Cc4cccnc4)C(=O)C1)[C@@H](C2)C3=O 587434532 AEJLIHFTGIOPQZ-JTSKRJEESA-N 376.412 2.913 0 1 GFAF CC1(C)OCCn2c1nc(/C(O)=N/Cc1ccc(F)cc1Cl)c(O)c2=O 35012444 RWCACWKLMSUOFC-UHFFFAOYSA-N 381.791 2.512 0 1 GFAF COC(=O)c1c[nH]c2cc(CCN3CCN(c4ccccc4)CC3)ccc2c1=O 1772584587 VNLHFKRHBGZABY-UHFFFAOYSA-N 391.471 2.679 0 1 GFAF O=C1CC[C@H](C(=O)N2CCC(CCO)CC2)CN1Cc1ccc(Cl)cc1 12073124 SEHGMEKWZDXYLP-KRWDZBQOSA-N 378.900 2.700 0 3 GFAF CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1-c1ccncc1 13605932 DCAYGRUBXWPENU-UHFFFAOYSA-N 392.415 2.501 0 1 GFAF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]12C[C@H]1[C@H](N=O)c1ccccc1O2 169728747 MZNKZHJGVLNPEC-OAZVVGOESA-N 380.400 2.546 0 1 GFAF O=C(O)Cn1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2Cl)n1 1857599414 VGNSRCPDCISIOG-UHFFFAOYSA-N 380.795 2.931 0 1 GFAF COc1cc(CCn2cnc3sc4c(c3c2=O)CCC(=O)C4)cc(OC)c1 1857584214 LOPOSNPJGIWCBF-UHFFFAOYSA-N 384.457 2.776 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCC[C@@H]2CN(C)C)cc1 3181723 IOABODANLFEQFE-IEBWSBKVSA-N 396.553 2.994 0 3 GFAF COCCCNC(=O)CNC(=S)N(Cc1cccs1)C1CCCCC1 4672143 XGUOJWFYKRMORC-UHFFFAOYSA-N 383.583 2.910 0 1 GFAF CN[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C1 29331760 JSLUSQSYDLPXHJ-CYBMUJFWSA-N 399.397 2.765 0 1 GFAF O=C(O)COC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)C3Cc4ccccc4C3)[C@H](O)C[C@H]2C1 26148350 NEGVZYCQCRRXQS-ZCJUQSTJSA-N 398.499 2.753 0 1 GFAF CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1C=C(OC)C(=O)OC 2356754438 CHASADHUGZYMJT-SXGZUBKSSA-N 384.476 2.700 0 1 GFAF O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 38623800 NDXHKZREOPRWCR-IBHATUTGSA-N 379.478 2.565 0 1 GFAF O=C1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H](O)c2cc(O)cc(O)c21 14637630 QLUPKRIWOVDUPU-YLJYHZDGSA-N 380.352 2.625 0 1 GFAF biogenic COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@H]32 39205786 KUIPLVUMWWQJEH-RLLPEYFOSA-N 398.503 2.880 0 1 GFAF Cc1ccc(NC(=O)c2ccnnc2)cc1-c1ccnc(N2CCOCC2)c1 220623411 WCAXSOQUZPXMLC-UHFFFAOYSA-N 375.432 2.936 0 1 GFAF C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211469 NHZFTVXJJKWPEB-GFCCVEGCSA-N 386.452 2.858 0 1 GFAF O=C(c1ccc(-c2ccc3nnc(-c4ccncc4)n3c2)cc1)N1CCOCC1 82082557 USSAXDXJTXTOJA-UHFFFAOYSA-N 385.427 2.931 0 1 GFAF Cc1nn(-c2ccccc2)c2nc(C3CCN(C4CCNCC4)CC3)nc(O)c12 147361036 KYJDMVLQEMQGQD-UHFFFAOYSA-N 392.507 2.761 0 1 GFAF Cc1cccc(OCC2CN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)C2)c1 299830575 OBLNTTPMAPILBY-VMPITWQZSA-N 377.444 2.825 0 1 GFAF CC(=O)n1[nH]c(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1=O 587795092 QOKOBEDCIRTSAM-WNWIJWBNSA-N 396.260 2.844 0 1 GFAF COC(=O)[C@]1(C)COCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587832797 CYDCJPDIUKYVPY-YKJXYISPSA-N 386.261 2.917 0 1 GFAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]3[C@H]2CN[C@H]3C(=O)O)[C@@H]1c1ccc(F)cc1 587346289 LNIQUHIVAHASQO-YEYBJUIOSA-N 397.402 2.712 0 1 GFAF Cc1ccnn1C[C@@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963138333 GLRGCBPEVVWLCC-ACJLOTCBSA-N 392.481 2.810 0 1 GFAF C[C@]1([C@@H]2CCOC2=O)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963196329 SUKZYXDSBYQFIV-FFTROKDMSA-N 377.746 2.736 0 1 GFAF O=C1CCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 13678543 PEQJTCZGJSKPGE-UHFFFAOYSA-N 383.414 2.757 0 1 GFAF COc1ccc([C@@H]2c3cc4c(c(OC)c3C[C@H]3OCC(=O)[C@H]32)OCO4)cc1OC 16928200 XPWTYDWZZDAXDF-MISYRCLQSA-N 398.411 2.713 0 1 GFAF CCOC(=O)CN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@@H]1C 169356155 FUPAQXIAYSURIA-CIISACIHSA-N 386.370 2.929 0 1 GFAF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]12C[C@@H]1[C@@H](N=O)c1ccccc1O2 169716579 MZNKZHJGVLNPEC-JQZBISMTSA-N 380.400 2.546 0 1 GFAF O=C(c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1)N1CCOCC1 1857574858 HPKWANUAQYETQJ-NBVRZTHBSA-N 376.412 2.506 0 1 GFAF CN(C)C(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O 1857577623 YWUIKGIJIWMCCI-UHFFFAOYSA-N 394.410 2.904 0 1 GFAF COc1ccc(OC)c(CNC(=O)N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 1857633508 ZCFHXHJFSJBVDN-UHFFFAOYSA-N 398.868 2.888 0 1 GFAF COc1ccc(-n2ncc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2N)cc1 1857764452 AJFFHJZZEKEBCT-UHFFFAOYSA-N 383.404 2.720 0 1 GFAF Cc1ccccc1[C@H]1CC(=O)C[C@H](c2ccccc2C)C12C(=O)NC(=O)NC2=O 1860531 LIOTUXHAZLUHQQ-RTBURBONSA-N 390.439 2.886 0 1 GFAF CO[C@]12CC3=CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]3(C)[C@H](O)C1=C(C)C(=O)O2 2356423303 UGNBFLDDUQOMHC-VFVJCWCXSA-N 376.449 2.818 0 1 GFAF C[C@@H]1C(=O)N(C(C)(C)C)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 3949272 HRRJGKCVEWZVHO-TZMCWYRMSA-N 399.457 2.612 0 1 GFAF Cc1ccccc1NC(=O)c1ccc(CN2CC(=O)N3CCCC[C@H]3C2=O)cc1 6877497 DRHIBYGZFXOUCD-FQEVSTJZSA-N 391.471 2.971 0 3 GFAF CC(C)NC[C@@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O 2356301797 FRXBYCFMJWNSRC-BVSLBCMMSA-N 387.524 2.756 0 1 GFAF COc1ccc(NC(=O)OCCN2CCN(Cc3ccccc3)CCC2=O)cc1 8680081 ZSLUJBGYTIPFSH-UHFFFAOYSA-N 397.475 2.978 0 3 GFAF COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100724913 MVELEQDHPIOVCZ-UFYCRDLUSA-N 383.536 2.926 0 1 GFAF CN(C)C(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72104521 GPOZYJNXWRDWTQ-GOSISDBHSA-N 375.423 2.580 0 1 GFAF Cc1cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c(OC2CCOCC2)n1 72318368 RBHXAAPOZNMAMC-UHFFFAOYSA-N 395.463 2.723 0 1 GFAF Cc1ccc(N2CC[C@@H](CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C 216500495 ZGZZLMPQKBZVQE-OAHLLOKOSA-N 383.448 2.776 0 1 GFAF CCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 82214898 XJHRPKHSHGDDPZ-HNNXBMFYSA-N 399.470 2.514 0 1 GFAF Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNC3=O)n2)n1 224862700 VXKHZVAIDVDYAH-UHFFFAOYSA-N 386.419 2.501 0 1 GFAF Cc1ccc(-c2nc(CC(C)(C)C)c[nH]2)cc1S(=O)(=O)N1CCOCC1 40915498 SRVHEDRXWDHSSW-UHFFFAOYSA-N 377.510 2.995 0 1 GFAF CCCN1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CNS(C)(=O)=O 95794553 FQAWDEHALZFZFE-PWRODBHTSA-N 392.565 2.732 0 1 GFAF CS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 25232520 NTCWRFPAGYZSJC-OCCSQVGLSA-N 378.881 2.547 0 1 GFAF biogenic C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)c3ccncc3)N(C(=O)CC)[C@H]2CO)cc1 95895913 UEFOLBWVTVSDRS-ARELUYGYSA-N 393.487 2.610 0 1 GFAF CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 95580283 XIADEUQSWRDMJW-UHFFFAOYSA-N 377.444 2.736 0 1 GFAF O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1 95894563 DJGMPCRJWDHKNS-YQVWRLOYSA-N 398.425 2.541 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C[C@@H]2CCCN2C[C@@]1(O)[C@@H]3O 49067603 YZJBCQWDGRNRAY-XLIQEIGGSA-N 383.492 2.699 0 1 GFAF biogenic CCS(=O)(=O)NCCCc1nc2cc(Br)cc(Cl)c2[nH]1 586943198 XUDQHNGHZWMAHB-UHFFFAOYSA-N 380.695 2.851 0 1 GFAF C[C@H](Cn1cc(Br)cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651744 YBLMBBXXAIRCSX-SECBINFHSA-N 395.644 2.985 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587762515 SRHPPJHPYSEBDT-RRUGBERISA-N 399.304 2.833 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CCN(CC)C[C@@H]1C(=O)OCC)CC2=O 587475912 NPIGJTAOVPFWRB-IERDGZPVSA-N 375.465 2.954 0 1 GFAF CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962906611 HHAINQMKHLPSGX-TWOQFEAHSA-N 396.434 2.989 0 1 GFAF CCN1CCC(C(=O)Nc2n[nH]c3nnc(-c4cccc(F)c4F)cc23)CC1 12355074 XMLJBPQUTWBABY-UHFFFAOYSA-N 386.406 2.969 0 1 GFAF Cc1nc(C2CCOCC2)c2c(N3CCc4nn(C)c(C(C)C)c4C3)ncnn12 169711737 SNRPYULNMUXPPE-UHFFFAOYSA-N 395.511 2.746 0 1 GFAF COc1ccccc1N1CCN(CCNC(=O)[C@]23C[C@H]4C[C@@H](C[C@@H]2C4)C3)CC1 1857603964 SHJROHGGSGTGQS-KGYLXKDPSA-N 383.536 2.760 0 1 GFAF COc1ccc(-c2cnc3cnc(-c4ccc(C(=O)NCCO)cc4)cn23)cc1 1857619522 SYPLRLFQFXMUDF-UHFFFAOYSA-N 388.427 2.794 0 1 GFAF CC1(C)C[C@@H](n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CCO1 116869646 ZVSXFWGOAHJFEB-LBPRGKRZSA-N 382.399 2.704 0 1 GFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4152343 BHCQIDIIDHSOBC-BOUXLOLZSA-N 385.464 2.836 0 1 GFAF O=C(N=c1cc[nH]cc1)C(=O)Nc1c(C(=O)c2ccccc2)[nH]c2ccccc12 1911586170 XOOZFGSINMOFNL-UHFFFAOYSA-N 384.395 2.793 0 1 GFAF CC[C@@H]1CCCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28892058 KMHBKDJSYQLVTR-MSOLQXFVSA-N 376.522 2.744 0 1 GFAF CCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C)C)=C1C 61923418 BQJWSGJCGWMPHP-MRXNPFEDSA-N 377.529 2.836 0 3 GFAF CS[C@@H]1C(=O)N[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C 2356794162 KYNWNEIOVRAUFT-IEBWSBKVSA-N 394.562 2.911 0 1 GFAF CO[C@@H]1OC(=O)[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 14646993 HBOUIMWCFJKPNL-VFCRVFHLSA-N 384.384 2.691 0 1 GFAF biogenic COc1c(O)cc2c(c1CCC(C)(C)O)O[C@@H]1c3ccc(O)cc3OC[C@]21O 14713063 GOAAFLGCSWDGQK-CTNGQTDRSA-N 388.416 2.524 0 1 GFAF biogenic CC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@H]21 95894048 ZLBPYPDXAFKISJ-QRVBRYPASA-N 387.386 2.692 0 1 GFAF C=CS(=O)(=O)N1CCN2[C@@H](CC[C@@H]2c2ccc(OC(F)(F)F)cc2)C1 618020172 ALGBYGGYFXKANS-DZGCQCFKSA-N 376.400 2.880 0 1 GFAF CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)oc2c1 299824495 CCTJFNZNMLIZBA-UHFFFAOYSA-N 393.808 2.847 0 1 GFAF CC/C=C/[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 299811467 XNUWGEPKIOWLHQ-AQLDXCRBSA-N 385.460 2.866 0 1 GFAF COc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602190 XECXUFNSIKVEMW-XMSQKQJNSA-N 394.379 2.569 0 1 GFAF COC(=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1OC 587228299 NJWYUOUULZNRPH-UHFFFAOYSA-N 383.404 2.827 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)cc(C)c3[nH]2)[C@H](C)O)cc1 586937814 UODURYOLKFEZNT-UGSOOPFHSA-N 389.477 2.589 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016763 NJSHLTIHVCOGDM-CQSZACIVSA-N 378.479 2.788 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]21 587591128 BHCLICLSLFASJT-QASDKSBCSA-N 395.411 2.565 0 1 GFAF COc1ccc2c(c1)[C@]1(CNS(=O)(=O)c3ccsc31)N(C(C)C)CC2 962094552 WEAZZFIIINUFSD-SFHVURJKSA-N 378.519 2.559 0 1 GFAF COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(Cl)cn2)c(OC)c1 1772641616 ZDPLLEICRYURFV-SNAWJCMRSA-N 384.841 2.742 0 1 GFAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(Nc4ccccc4)oc23)[C@@H](O)C1 169685056 CSPOYMBTEMGPFC-DYVFJYSZSA-N 382.416 2.728 0 1 GFAF O=C(c1ccn(-c2nc(O)c3sccc3n2)n1)N1CCc2ccccc2C1 1857592191 UXOVNLFOUAGUPW-UHFFFAOYSA-N 377.429 2.781 0 1 GFAF COc1ccc2c(c1OC)CN1[C@@H](CC(=O)O)Cc3cc4c(cc3[C@H]1C2)OCO4 1857616809 NUGPYECDTBLMCS-RHSMWYFYSA-N 397.427 2.931 0 1 GFAF C[C@@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 28711432 CTVPYJMHXKDJPR-DOMZBBRYSA-N 383.383 2.558 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356740772 JDQWKADNJIUBND-JECUUSKGSA-N 390.520 2.575 0 1 GFAF COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C 36388551 BACANOKBGALBOQ-GOEBONIOSA-N 388.464 2.985 0 3 GFAF COc1ccc(CC2=C([C@@H](O)c3ccc4c(c3)OCO4)COC2=O)cc1OC 13385487 CYZBGDXPWCEWCM-FQEVSTJZSA-N 384.384 2.562 0 1 GFAF biogenic C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 86010743 BMPRGPGLZWJNOP-YHDDVYPGSA-N 378.465 2.897 0 1 GFAF in-man CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[n+]([O-])c2ccccc2[n+]1[O-] 40867094 ZWIMOYLIPRXHSH-UHFFFAOYSA-N 378.306 2.969 0 1 GFAF C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OC[C@H]1CCCN1C 82084053 QVEFLDLZJJDWRK-DZGCQCFKSA-N 388.493 2.642 0 1 GFAF Nc1ccccc1NC(=O)c1ccc(CNC2=NC(=O)[C@H](c3ccccc3)N2)cc1 96273670 HMTJEOJSDFUEKT-FQEVSTJZSA-N 399.454 2.838 0 1 GFAF CC1(C)C=C[C@@H]2OC(=O)[C@@]3(O1)[C@@](C)(O)CC[C@H](OC(=O)c1ccccc1)[C@@]23C 238782683 CMNDLCZGXCIKSM-UCEGJLSESA-N 386.444 2.792 0 1 GFAF COc1ccc(-c2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)cnc2N)cn1 95577509 NTBMDNFTKNXWSC-UHFFFAOYSA-N 384.461 2.652 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C/[C@H](O)OC)cc3[C@@H]2CO)ccc1O 96932726 ACYTYNNPYAXFFE-YFETVAJQSA-N 388.416 2.597 0 1 GFAF CCOC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587169609 DUEDEOLYBDLOTQ-UHFFFAOYSA-N 391.424 2.699 0 1 GFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586958385 JIEPUCVRWFMLGT-OAHLLOKOSA-N 389.330 2.588 0 1 GFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(C)c(O)n1 587866976 SXFJVWWFMGURKE-UHFFFAOYSA-N 380.326 2.756 0 1 GFAF COC(=O)c1ccnc2[nH]c(COc3c(C=O)cc(Cl)cc3OC)nc12 587066748 GVQIHMCBWAJADJ-UHFFFAOYSA-N 375.768 2.798 0 1 GFAF FC(F)(F)c1ccc(NC(=S)Nn2c(S)nnc2-c2cnccn2)cc1 1772653968 MMRHCXUZIVJIBS-UHFFFAOYSA-N 397.411 2.983 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN1CCCN(Cc2cc(F)cc(F)c2)C1 1772641233 FXZVTAZENJUMRC-UHFFFAOYSA-N 385.414 2.726 0 1 GFAF COC(=O)CN[C@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O 13860467 SQKWAGXVJGPJIT-KRWDZBQOSA-N 392.242 2.872 0 1 GFAF COc1ccccc1-c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)[nH]n1 150257141 KPXWOVOWWDYYMY-HXUWFJFHSA-N 378.432 2.999 0 1 GFAF COc1ccc([C@@H]2c3ccc4cccnc4c3NS(=O)(=O)N2C)c(OC)c1 205638176 SDLOYGGFFYKSES-LJQANCHMSA-N 385.445 2.944 0 1 GFAF COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 4041901 BYAGHXIWVHNODW-PZJWPPBQSA-N 381.476 2.997 0 1 GFAF CO[C@H]1[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C/SC)[C@@H]2C)C[C@@]23OC(=O)[C@@H](C)[C@]12O3 104354395 ULNGGZOBSDELFB-XITDCSIZSA-N 396.505 2.904 0 1 GFAF in-man CCN(CC)S(=O)(=O)c1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1 22939776 BVBMPXYNTVNBOJ-OAQYLSRUSA-N 387.549 2.712 0 1 GFAF CO[C@]1(C(C)C)NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1 2356721126 VEXWEGMVYLZHTN-VGSWGCGISA-N 393.443 2.531 0 1 GFAF O=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3cccnc3)CC[C@@H]2O)CC1 72178613 QCOKHDYSFUWUQK-VXKWHMMOSA-N 397.494 2.751 0 1 GFAF O=C(COc1ccc2ccccc2c1CO)NCCc1nc2ccccc2[nH]1 75830257 KCFKLBQERJZLGQ-UHFFFAOYSA-N 375.428 2.946 0 1 GFAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccccn1 146077641 KRFSMXGXDGHSTG-DOTOQJQBSA-N 396.491 2.919 0 1 GFAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1 95894853 PEQCJJQCTRUYBM-RZUBCFFCSA-N 382.504 2.845 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)C1CC1 95794113 BIAFXNFRLBGJGW-MQSCRBSSSA-N 392.499 2.945 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255209431 FLMSQRUGSHIKCT-SSAJKQPZSA-N 390.520 2.575 0 1 GFAF CC[C@H](CO)Nc1nc(N[C@@H](CO)c2ccccc2)c2ncn(C(C)C)c2n1 299863017 OKVAOUXQAPFETO-CVEARBPZSA-N 384.484 2.736 0 1 GFAF O=c1c(-c2nc3c(O)nc(S)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587173007 PTMPRLYBEDGMIU-UHFFFAOYSA-N 387.371 2.942 0 1 GFAF O=C(O)CCC1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602672 JPVCAVJSWFCQED-QGZVFWFLSA-N 386.356 2.822 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(-c3ncc(Br)cc3F)[nH]c12 587156953 DLCLRPSKGTXEAR-UHFFFAOYSA-N 399.245 2.777 0 1 GFAF N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCOC1 587248576 UIZPTRXLQJXATK-KRWDZBQOSA-N 392.868 2.591 0 1 GFAF CCO/C=C(\C(=O)OCC)[C@@]1(C(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424011 WDJROANGORKWAJ-QURIKKNASA-N 382.359 2.930 0 1 GFAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2C2(CCC3(CC2)OCCO3)N1 962695601 IWYRIHWDHSRBDG-AWEZNQCLSA-N 389.345 2.956 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(S(=O)(=O)N(C)C)cc1 963614127 WFLPXSKIYQZJCY-RBZFPXEDSA-N 390.505 2.578 0 1 GFAF CCCCNC(=S)Nc1ncnc2c1cnn2CCN1CCCCCC1 205863127 MTAPMIGEOLWNRR-UHFFFAOYSA-N 375.546 2.789 0 1 GFAF O=C(/C=C/c1cccn(C/C=C/c2ccc(Br)cc2)c1=O)NO 143792431 OATWBAVQQZIJCX-JKYUJIBQSA-N 375.222 2.843 0 1 GFAF CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2cccnc12 5067774 UXGNEHDMPGFVLZ-UHFFFAOYSA-N 391.399 2.772 0 3 GFAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cnccn1 13559111 LWHRECFBLAALOV-AWEZNQCLSA-N 378.473 2.950 0 1 GFAF COc1ccc([C@@H]2c3cc4c(c(OC)c3C[C@@H]3OCC(=O)[C@H]32)OCO4)cc1OC 17027294 XPWTYDWZZDAXDF-DFQSSKMNSA-N 398.411 2.713 0 1 GFAF O=C[PH](O)(O)[C@H](CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O 169713730 GWKIDTIKJTWNIM-KRWDZBQOSA-N 384.305 2.935 0 1 GFAF COc1ccc(OC)c(CN2C(=O)CSC[C@@]2(C)C(=O)NC2CCCC2)c1 205859235 CBJQHVAONSVTBJ-FQEVSTJZSA-N 392.521 2.597 0 3 GFAF C[C@@H](c1ccc(-c2cc(N3CCOCC3)nc(=N)[nH]2)cc1)[C@H](C)N1CCCC1 1857593213 IYSMLXVQJXZLPA-SJORKVTESA-N 381.524 2.981 0 1 GFAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@H]2C(=O)N(CC)C(=O)[C@H]21 1857616155 JJIRPDIZJVWLJK-VKJFTORMSA-N 378.365 2.811 0 1 GFAF COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1 4924571 XELMYVZMRMLHDO-UHFFFAOYSA-N 386.429 2.587 0 3 GFAF aggregator CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 26272055 VJCYEMZLQZXBRH-HKBOAZHASA-N 397.519 2.582 0 1 GFAF COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1 118545714 CYLRJIMWCUJTBH-UHFFFAOYSA-N 391.431 2.705 0 1 GFAF CCC(C)(C)C(=O)C(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)OCCCc1ccncc1 27216540 JMLRFOPJGOEVRD-RCCFBDPRSA-N 386.492 2.942 0 1 GFAF CC(=CCCC(C)C)c1ccc(CO[C@@H]2C[C@H](O)[C@H](O)[C@H](CO)O2)cc1O 2356807571 XWHFMJTZPNHZQL-TUFLPTIASA-N 380.481 2.577 0 1 GFAF O=S(=O)(O)[C@H](CC=C[C@@H](O)c1ccc(O)cc1)CCc1ccc(O)cc1 2356821575 GCOXCNWFFQOSSA-RTBURBONSA-N 378.446 2.967 0 1 GFAF COC(=O)[C@]1(c2ccc(Cl)cc2)C[C@H]1CN1CCN(c2ccccn2)CC1 36286674 BRQLSMYVLSQFBJ-UWJYYQICSA-N 385.895 2.988 0 1 GFAF CCOc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c2cccnc12 34855103 KWQSUXJDZBUJAV-UHFFFAOYSA-N 398.488 2.539 0 1 GFAF O=C1COc2ccc(CCN3CCN(c4nccc5ccccc45)CC3)cc2N1 34097343 BPWHCSFECAFTAM-UHFFFAOYSA-N 388.471 2.930 0 1 GFAF CC(C)NC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(Br)cc3[C@@H]21 95878604 ROLSNKBZZJBICT-DAXOMENPSA-N 382.302 2.741 0 1 GFAF CC[C@@H]1[C@@H]2[C@H](CCCN3[C@H]([C@H]4C[C@@H](C)C(=O)O4)CC[C@H]23)O[C@@]12C=C(C)C(=O)O2 95884486 UINUUSQOLRQGNF-XLHHWBJRSA-N 389.492 2.805 0 1 GFAF CCN1CCN(C(=S)SCc2cn(Cc3ccccc3F)nn2)CC1 96285690 FKSKRXWLKFIHEU-UHFFFAOYSA-N 379.530 2.621 0 1 GFAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 587066702 FYIRKQDGBDFQCW-UHFFFAOYSA-N 384.783 2.592 0 1 GFAF NC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576051 DWXDBPYVOBVSIQ-KNQAVFIVSA-N 391.379 2.959 0 1 GFAF CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587387176 NUJTWGKSYWOXJS-NRFANRHFSA-N 390.480 2.787 0 1 GFAF CN(CCO)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587567939 AWEOWSXPGFOKBM-KNQAVFIVSA-N 392.411 2.919 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 587042096 AAIFEWWYHDXKQA-UHFFFAOYSA-N 388.474 2.524 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(C)(=O)=O)c(OC)c1)[C@@H](C2)C3=O 587448588 JYDDHWUXINAHFG-VBKZILBWSA-N 388.441 2.770 0 1 GFAF O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(NC(=O)N2Cc3ccncc3C2)nn1 1772583151 NNWPNRNQGOJCDZ-OFQRWUPVSA-N 392.463 2.585 0 1 GFAF CN1C(=O)N[C@@H](c2cccnc2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139941 FOMXGRXQNHKVHM-SLEUVZQESA-N 385.367 2.589 0 1 GFAF COc1c2ccoc2c(OC[C@H](OC(C)=O)C(C)(C)O)c2oc(=O)ccc12 13380834 LCMMQFCZXXSQDH-ZDUSSCGKSA-N 376.361 2.629 0 1 GFAF biogenic,in-vitro NS(=O)(=O)Oc1ccc2c(c1)[C@@H](O)C[C@H](C13CC4CC(CC(C4)C1)C3)O2 13491354 BSAFHRHNJBXDTM-OXPAVFPMSA-N 379.478 2.670 0 1 GFAF Cc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1 14958020 KYVQTWMIEGUWGT-UHFFFAOYSA-N 399.516 2.628 0 1 GFAF COCc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311432 ZYEQYALBYLQBMW-VOTOBMJFSA-N 392.521 2.810 0 1 GFAF CN(C)CCOc1ccn2c(-c3cc[nH]c(=N)n3)c(-c3ccc(F)cc3)nc2c1 1857545045 YQWUJHJNBRZZGC-UHFFFAOYSA-N 392.438 2.950 0 1 GFAF CCCc1nc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)[nH]c(=O)c1CC 4898503 XYOUQHZXTHRRJJ-UHFFFAOYSA-N 387.461 2.591 0 3 GFAF COc1cc2cc[n+]3c(c2cc1OC)[C@](C)(O)c1ccc(OC)c(OC)c1C3 1911577914 JJMIHADXEBJJTB-JOCHJYFZSA-N 382.436 2.779 0 1 GFAF Nc1ncnc2c1c(-c1ccccc1)nn2S(=O)(=O)c1ccc(Cl)cc1 103199670 JHGFQHZURPXLMG-UHFFFAOYSA-N 385.836 2.966 0 1 GFAF COc1ccc(SCc2noc(C(=O)NC[C@H]3CCCO3)c2C(=O)O)cc1 8672408 SWZDQHPOSSNMOB-GFCCVEGCSA-N 392.433 2.583 0 3 GFAF COc1ccc2c(c1)[C@]13CCN(C)C=C4[C@H](C)OC[C@@H]([C@@H]1N2C(C)=O)[C@H]4CC3=O 2356431727 CGCVCRNBATWZMJ-KCKZGIBBSA-N 396.487 2.511 0 1 GFAF COc1ccc(NC(=O)CN2[C@H]3CC[C@H]2CC(O)(c2cccnc2)C3)cc1OC 100984579 VIUAZJWVKDSLOX-ROUUACIJSA-N 397.475 2.552 0 3 GFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2356527380 FLMSQRUGSHIKCT-AICSHRDJSA-N 390.520 2.575 0 1 GFAF COC(=O)[C@@]12C[C@@H]3[C@@H]4O[C@@H](C)[C@@H]3C[C@H]1N4CCc1c2[nH]c2ccc(OC)cc12 2356530416 DHIALYFVBVORHH-BACCCHONSA-N 382.460 2.599 0 1 GFAF O=C(C[C@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccccc1 35271563 YDZKZOIFEBHVTR-GOSISDBHSA-N 376.464 2.728 0 1 GFAF CCO[C@@]1(Cc2c[nH]c3cc(Br)ccc23)C(=O)N(C)C(=N)N1C 14854586 RNZDQSFDNPIZJE-INIZCTEOSA-N 379.258 2.544 0 1 GFAF biogenic O=c1cc(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12 73297647 YGCPMTVIAJZRNZ-UHFFFAOYSA-N 379.247 2.688 0 1 GFAF O=C(OC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC[C@@H](c2ncc(Cl)cn2)C1 147385951 VBFMSLCCLACWLX-MWNDDRBWSA-N 377.872 2.996 0 1 GFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@H]3c3cccc(F)c3)cc2N1 82149480 DFBSMSXIFGLYCG-KRWDZBQOSA-N 381.392 2.848 0 1 GFAF CN(CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)CC(=O)O 143443519 XGAWTIQKVPQRKG-SFHVURJKSA-N 381.350 2.860 0 1 GFAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 95869167 RLHLHQOARBDQIW-QUCCMNQESA-N 397.544 2.875 0 1 GFAF CC(=O)O[C@@H]1/C=C/C[C@H](/C(C)=C/C=C/[C@@H](C)O)OC(=O)C[C@H](O)CC[C@H]1C 238778135 KCPFGCOVIHILBY-FXXSFSAZSA-N 380.481 2.840 0 1 GFAF Cc1cc(C)cc(Nc2nccc(-n3cc(CN4CC[C@@H](O)C4)c(C)n3)n2)c1 473113458 HFLXFMMYJAEXLZ-LJQANCHMSA-N 378.480 2.898 0 1 GFAF O=C(O)C[C@@H](O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586890216 NDNOHCYKXICRMJ-LURJTMIESA-N 383.120 2.602 0 1 GFAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cncnc2[nH]1 587109589 ZRDZCGXDXSKKQM-GFCCVEGCSA-N 397.382 2.898 0 1 GFAF COc1cc2c3c(c1)O[C@]1(CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1C)[C@@H](C2)C3=O 587435172 DGNZXONCKPVAJF-IOEWJQCESA-N 387.432 2.985 0 1 GFAF COC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2n1 587144038 HQKREQGUOQIWFV-LLVKDONJSA-N 393.216 2.889 0 1 GFAF CS(=O)(=O)c1ccc([C@@H]2NCCc3ccc(O)cc32)cc1Br 963341105 KIMZPQSLNYDMAP-INIZCTEOSA-N 382.279 2.793 0 1 GFAF Cc1cnc(-n2ncc(C(=O)N(C)[C@@H]3CCOC3)c2C)nc1-c1ccc(F)cc1 12030745 OGROJUCTYWXQHL-QGZVFWFLSA-N 395.438 2.946 0 1 GFAF COc1cc(C(=O)[C@@H]2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O 13372362 RKQZQCFXPCRETA-AUUYWEPGSA-N 386.400 2.633 0 1 GFAF biogenic CCN(CC)C(=O)[C@H]1CCCN(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 766806 TVMWFDGDOBSSCL-HNNXBMFYSA-N 385.512 2.601 0 1 GFAF COc1ccc(-n2nnnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)c(OC)c1 932201 RYFCRQICUPSHRP-CHWSQXEVSA-N 391.497 2.561 0 3 GFAF Cc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@H]2CC(=O)NC(C)C 2356381861 CWRWQTRDMVLOPB-SENVTWLFSA-N 380.554 2.782 0 1 GFAF O=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 3956336 FKQVGQLGJNTFDQ-HXUWFJFHSA-N 383.427 2.776 0 1 GFAF Cc1c2c(nn1CC(=O)Nc1ccccc1)-c1ccccc1S(=O)(=O)N2C 103196936 PNBIKJRBPDYJEY-UHFFFAOYSA-N 382.445 2.636 0 1 GFAF CC(C)C(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356527963 MRZVSQHCBLKLKZ-AOIWGVFYSA-N 376.428 2.704 0 1 GFAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@H]5[C@]6(CCC[C@@]5(C)CO)CO[C@H](C[C@H]1[C@@H]2OC(C)(C)O4)[C@H]36 504623696 SPKBKHBTOCOHGF-UBGFSIJHSA-N 390.520 2.935 0 1 GFAF biogenic COc1ccc(CC2=C([C@H](O)c3ccc4c(c3)OCO4)COC2=O)cc1OC 13385486 CYZBGDXPWCEWCM-HXUWFJFHSA-N 384.384 2.562 0 1 GFAF biogenic COc1cc2c(c(OC)c1OC)CCCN1CCC3=C[C@H](OC)[C@@H](OC)C[C@]321 14929844 HNBWTTSZSJRNJF-JLMWRMLUSA-N 389.492 2.920 0 1 GFAF biogenic O=C(CNc1cccc(F)c1)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49088998 RLFNIVYTKITDNC-UHFFFAOYSA-N 381.455 2.848 0 1 GFAF CC[C@@H](C)C(=O)O[C@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O 86038142 LEQFGQJFFOQFOZ-HWOJHCLVSA-N 378.421 2.564 0 1 GFAF CC(C)NC(=O)[C@@]1(C)CSCC(=O)N1C1CCN(Cc2ccccc2)CC1 199231124 HFJOXZPQNHQWQT-OAQYLSRUSA-N 389.565 2.510 0 3 GFAF CC(C)n1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82224129 BJKYPCSDAWYJAK-HZPDHXFCSA-N 398.463 2.810 0 1 GFAF CCCc1cnc(SCC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)nc1 96940227 IGZCRYSCXSNMNB-UHFFFAOYSA-N 385.898 2.705 0 1 GFAF COc1cc(/C=C/C(=O)O)cc(-c2c(/C=C/C(=O)O)ccc(O)c2OC)c1O 238777957 OISWGZDHASMXDL-IUMFQGNOSA-N 386.356 2.978 0 1 GFAF COC/C=C/c1ccc(O)c(Oc2ccc([C@H](O)[C@@H](O)COC)cc2O)c1 238756092 AMPDGYCWLBGPQE-LADOFLMKSA-N 376.405 2.590 0 1 GFAF CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 95585347 OODGXYCWGDICPE-FLIBITNWSA-N 379.821 2.630 0 1 GFAF CC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CNC(=O)C1CC1 95895034 DZMKJVSMHVDZJH-FDFHNCONSA-N 396.462 2.694 0 1 GFAF COc1cc2cc(NC(=O)CN(C)Cc3ccccc3)c(=O)oc2cc1OC 95593812 OMRHTFXEYMULGS-UHFFFAOYSA-N 382.416 2.881 0 1 GFAF O=C(Nc1ccc2sc(CO)nc2c1)c1ccc(CN2CCOCC2)cc1 84741342 LKWYTURFXOPZMD-UHFFFAOYSA-N 383.473 2.873 0 1 GFAF COC(=O)c1cncc2c1C[C@H](OC(=O)C1=CN[C@H](C)c3cnccc31)[C@@H]2C 34171301 VPKQJEIHIRHOKN-CLUVUEOHSA-N 379.416 2.540 0 1 GFAF biogenic COC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)nc2nccn12 299869735 VIPLNRFYEITNFN-UHFFFAOYSA-N 389.419 2.857 0 1 GFAF COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649308 HCFGUPNPFSOROL-UHFFFAOYSA-N 393.367 2.872 0 1 GFAF CC(=O)[C@H](N=O)[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962916661 CZTXLOYYDMVMHE-BJLQDIEVSA-N 384.388 2.723 0 1 GFAF COc1ccc2c(c1OC)[C@@]1(CCCN(C)C1)N(C(=O)c1ccccc1N)CC2 963148387 ZLMNVFRUAWRZCB-QHCPKHFHSA-N 395.503 2.905 0 1 GFAF CSC[C@H](C)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 12307019 AQALSBPACQYNOC-KRWDZBQOSA-N 390.597 2.626 0 3 GFAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NCc2ccc(Cl)cc2)C[C@H]1O 2356324198 HVCGTDMXMKDEAB-LWYYNNOASA-N 387.911 2.698 0 1 GFAF O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4206599 RQFOYLUNRRCLGK-RDJZCZTQSA-N 394.880 2.618 0 1 GFAF CNC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc23)C1 6945043 DSGQXSWGJCTXKU-MRXNPFEDSA-N 378.480 2.703 0 1 GFAF CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)[C@H]1C(OC)OC 100086422 RUMNDHRJFIZARA-INIZCTEOSA-N 389.448 2.636 0 1 GFAF CC(C)(C)[C@@H]1CCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891865 DCEXLYUJIXLNHO-PXNSSMCTSA-N 390.549 2.990 0 1 GFAF Cc1c(C(=O)NCCc2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 102020687 RKCGKOUUSLFQRQ-UHFFFAOYSA-N 392.242 2.694 0 1 GFAF Cn1cc(-c2cnn3c(Nc4nccs4)cc([C@@H]4CCCNC4)nc23)cn1 66101700 FETYCYPVRKGWBL-GFCCVEGCSA-N 380.481 2.797 0 1 GFAF CNC[C@@H]1C=CN(C(=N)NC)C[C@]12[C@H]1CC[C@H]3CC=C[C@H]4CC(C(=O)O)=C(C1)[C@@]342 2356705858 GBOTYAJSMKXMGZ-JGLWEJIBSA-N 396.535 2.569 0 1 GFAF Cc1cc2cc(NC(=O)C[C@@H]3C(=O)N[C@@H](c4ccccn4)N[C@H]3C)ccc2[nH]1 212565478 WHVIEQPOIMYGKR-RISOHXOYSA-N 377.448 2.623 0 1 GFAF O=C1NC(=O)/C(=C\c2ccc(OCC3CCC(C(=O)CO)CC3)cc2)S1 219019576 KUEKAVYOWIGMNB-RQZCQDPDSA-N 375.446 2.757 0 1 GFAF CS[C@@H]1NC(=O)[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)NC1=O 14443980 OUPACRHVFRGERT-WMZOPIPTSA-N 380.535 2.569 0 1 GFAF biogenic NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2O[C@@H]2CCCNC2)cc1 40413183 FPCOVWJHQJRSNW-QGZVFWFLSA-N 383.473 2.680 0 1 GFAF CS(=O)(=O)c1ccc(-c2cc(C(=O)O)nc(NC3CCCCC3)n2)cc1 42920783 ZYFPPWGZFKTNNI-UHFFFAOYSA-N 375.450 2.990 0 1 GFAF Cn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nc(-c2ccncc2F)cc1=O 43128421 QVCOEHDVYXQCHW-GOSISDBHSA-N 384.386 2.698 0 1 GFAF C[C@@H]1C[C@H]2O[C@H](CO)C[C@H]2O[C@]12CC[C@@]1(CC=C[C@H](/C=C/CCC(=O)O)O1)O2 40810762 NRPAJSHSQQDCGG-MQCYPVJESA-N 394.464 2.530 0 1 GFAF O=C1NC[C@@H]2c3c(cccc31)CCN2C(=O)CN1CCC(c2ccccc2)CC1 43178848 ZIOARXINFVOVJJ-OAQYLSRUSA-N 389.499 2.735 0 1 GFAF COc1cc(C2=C(c3c[nH]c4ccccc34)[C@H](O)NC2=O)cc(OC)c1OC 40835294 IINDUQOQNFCDNN-NRFANRHFSA-N 380.400 2.553 0 1 GFAF CCN1C(=O)[C@]2(N=C1N)c1cc(C#CC3CC3)ccc1CC21CCC(OC)CC1 141588864 QVUONTACMIUUMJ-PBSMCPNCSA-N 391.515 2.952 0 1 GFAF COCCS(=O)(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587450057 RJAGAHIQAHZWDN-OXQOHEQNSA-N 388.441 2.604 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C(O)O)N1 587731332 LJTDCUNMCYFJBG-VVVCHXIZSA-N 384.220 2.816 0 1 GFAF COC(=O)Cc1cc(OC)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OC 587945687 PFXJXFZIGUXPFT-AWEZNQCLSA-N 384.335 2.843 0 1 GFAF COc1cc(OC)nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587586601 IUXXCVDBYNEAQH-APWZRJJASA-N 380.356 2.902 0 1 GFAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)CCCNC(N)=O)[nH]c3c2)cc1 587260453 WTOKARATUVZZBJ-HNNXBMFYSA-N 397.435 2.590 0 1 GFAF COC(=O)c1cccc2c1NC(=O)[C@@]21c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962616714 AMIDHEHEAVJART-IPQOISQHSA-N 396.443 2.563 0 1 GFAF Cc1cc(C)c2c(c1)[C@@]1(NCCc3c(C(=O)O)cccc31)C(C(=O)O)=CN2C 963136087 XQYNLDMRPIBMFW-JOCHJYFZSA-N 378.428 2.809 0 1 GFAF Cc1ccnn1CCCCNC(=O)[C@]1(C)CC1(Br)Br 1857756293 OJCRHIAVGZRPPR-LBPRGKRZSA-N 393.123 2.984 0 1 GFAF Nc1n[nH]c2c(F)c(NC(=O)N[C@H](COC(F)F)c3ccccc3)ncc12 1772589330 HVZTYYACTAEMDG-SNVBAGLBSA-N 380.330 2.781 0 1 GFAF NCc1cc(Oc2cccc(C(=O)N3CC[C@@H](N)C3)c2)nc(C(F)(F)F)c1 1772643140 BYWBCSRCPLBDFU-CYBMUJFWSA-N 380.370 2.525 0 1 GFAF CC1=C(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)OCCO1 13596093 UFVJSNHEMNWIOU-MRXNPFEDSA-N 390.455 2.739 0 3 GFAF CN1[C@H]2CC[C@@H]1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2 13650297 KXZOFYFZUVMFSQ-TXEJJXNPSA-N 389.402 2.596 0 1 GFAF CCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)nc(F)nc21 13839122 ANAUSPQMJNVGJT-UHFFFAOYSA-N 375.404 2.574 0 1 GFAF O=C(NCCCC[C@H]1CN=C(c2c(O)cccc2F)N1)c1c(O)cccc1F 1857555586 YINQBWLVXTVIER-LBPRGKRZSA-N 389.402 2.695 0 1 GFAF O=C1NC(=O)[C@@]2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(Cl)cc1 1857562049 UPCSFRZEXYXKMW-SFHVURJKSA-N 390.848 2.812 0 1 GFAF CC(=O)Nc1cccnc1Oc1ccc(-c2c(C)c(O)nc(=O)n2C)c(C)c1 1857569422 NPFFSFQKFLOPLF-UHFFFAOYSA-N 380.404 2.915 0 1 GFAF COC(=O)c1ccc(O[C@@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356336245 IZKLETPXYKZIMI-BUXKBTBVSA-N 376.405 3.000 0 1 GFAF O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](Cc3ccccc3)[C@]23C=C[C@H]1O3 2091454 FFCSIQDHUAMNEF-WNPAHNIUSA-N 375.424 2.665 0 1 GFAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 2487260 JAKDRNSEFDRJFF-YJBOKZPZSA-N 377.529 2.595 0 1 GFAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4040623 JIVFPOLGVJBIKA-DJKXOVBDSA-N 384.480 2.504 0 1 GFAF CCc1nc(NC[C@@H]2CCCN2CC)c2nnn(Cc3ccccc3F)c2n1 4356318 KVPIAVWXUXBJKC-HNNXBMFYSA-N 383.475 2.867 0 3 GFAF CC[C@](C)(C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)c1cnccn1 4571315 MXCVMCNSLBLUAO-DYESRHJHSA-N 388.512 2.715 0 1 GFAF COC[C@@H]1OC[C@]2(C)[C@H](CC[C@]3(C)[C@H](CC(=O)N4CCCC4)[C@@H](O)CC[C@H]32)O1 2356313798 BQOPDVGGLLQQJE-QAMGIAFZSA-N 395.540 2.580 0 1 GFAF CC=C1CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](COC(C)=O)[C@H]1C[C@@H]24 2356592928 PTRWORWVJKGZCI-QUUXARLESA-N 380.488 2.893 0 1 GFAF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)Cc1ccccn1)CC2 28010317 DFLZZQCVWNRASK-UHFFFAOYSA-N 383.492 2.548 0 1 GFAF O=C(O)CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1 64573600 RMYKUMGOYLUGTJ-KRWDZBQOSA-N 376.453 2.985 0 1 GFAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(N)=O)cc3)C[C@H]1C=N2 49808674 JYZWIFXQAUBCLA-HNNXBMFYSA-N 377.400 2.774 0 1 GFAF O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(N2CCCCC2)nc1 49014031 HCZYORDCFJAXAP-UHFFFAOYSA-N 385.533 2.734 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CCC[C@@H](O)C1 222368623 SKLNJZRVHSSOOX-ZIAGYGMSSA-N 391.475 2.935 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 139100495 MVELEQDHPIOVCZ-AQNXPRMDSA-N 383.536 2.926 0 1 GFAF COc1ccccc1/C=C1\CNCC2=C1NC(=O)N[C@@H]2c1ccccc1OC 96270598 DXATVGLTSADZAU-RKZJEGACSA-N 377.444 2.999 0 1 GFAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1ccc(-c3cccc(C#N)c3)c(=O)n1C2 25429270 GLTMKKMIFDLTGH-AEFFLSMTSA-N 397.500 2.546 0 1 GFAF biogenic CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1)[C@@H](C)O 96177792 BZUYVWAZFWOBLI-CJNGLKHVSA-N 381.484 2.815 0 1 GFAF CC(=O)O[C@H]1CC[C@H]2C(=CC[C@H]3C[C@@](C)([C@@H](O)CO)CC[C@@]32C)[C@]1(C)CO 238746521 WGHJHGDWAXWNRG-WMBWNXPESA-N 380.525 2.823 0 1 GFAF CC[C@H](CO)Nc1nc(NCc2cc(O)cc(O)c2)c2ncn(C(C)C)c2n1 299862248 MSZFUEMFNXAGHD-CYBMUJFWSA-N 386.456 2.613 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(S(N)(=O)=O)cc1)O2 587410628 TZJMEOMXWRFQMZ-LJQANCHMSA-N 397.456 2.722 0 1 GFAF COc1ccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(OC)c1C 587788237 SCMZTGJIKLEYSH-UHFFFAOYSA-N 375.450 2.806 0 1 GFAF Cc1nsc(N)c1[C@@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962630080 JLMAUSCEMBNLQE-RFAUZJTJSA-N 387.383 2.795 0 1 GFAF CCOc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)n1 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Cc1nc(CSc2nc(NC(C)(C)CO)c3sc(N)nc3n2)cs1 1908476 BJIJCFPWEFGUKA-UHFFFAOYSA-N 382.540 2.909 0 1 GFAF Fc1ccc2c(c1)=C(c1ccncc1)NN=C(c1ccc(Br)cc1)N=2 104233129 HRNIKBXWNCDKCE-UHFFFAOYSA-N 395.235 2.724 0 3 GFAF Cc1ccnc2c1nc(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)n2C 26826536 GEDVNJBBQRQVJE-CQSZACIVSA-N 382.445 2.750 0 1 GFAF CC[C@@H]1C(=O)OCc2c1c(C(=O)OC)c1n(c2=O)C[C@H]2Cc3ccccc3C[C@H]12 27420666 ZBPGREPSDSAIEH-PMPSAXMXSA-N 393.439 2.698 0 1 GFAF CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)ccc(F)c2c1OC(C)=O 103178120 WMJVQUBQEZRYHZ-UHFFFAOYSA-N 378.308 2.680 0 1 GFAF O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1ccco1 110749494 HSMUOVBDBBORBG-HUUCEWRRSA-N 381.775 2.879 0 1 GFAF c1cnc(NCc2cnc[nH]2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 66114262 GGPXVYPZTUORQU-UHFFFAOYSA-N 391.391 2.982 0 1 GFAF C[C@H](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O 27209282 COJPBCUXYWRHHK-CYBMUJFWSA-N 380.314 2.817 0 1 GFAF O=C(N[C@@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]2C1)c1cccs1 2356829572 IZYRNZQVVFLTBI-BXUZGUMPSA-N 389.864 2.757 0 1 GFAF CNS(=O)(=O)c1cccc(-c2ccc([C@@](O)(c3c[nH]cn3)C(C)C)cc2)c1 71318003 IPNCNQRVJPVKSD-HXUWFJFHSA-N 385.489 2.877 0 1 GFAF CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)C1 73167339 GFXPKLGUXGHHMU-VIFPVBQESA-N 378.299 2.987 0 1 GFAF CN1CCC[C@H]1c1cccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 217041663 DEUZGMJOCHUTND-GOTSBHOMSA-N 393.531 2.602 0 1 GFAF c1ccc2c(c1)CC(Nc1cc(Nc3ccncc3)nc(N3CCNCC3)n1)C2 45301048 AMAAYJNDYUIOGC-UHFFFAOYSA-N 387.491 2.604 0 1 GFAF CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cc(C5CC5)on4)nc3n2C1 147135555 GXSOLYTVGZNXTL-UHFFFAOYSA-N 379.420 2.924 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@H]1CNC(C)=O 95894962 LLORUJGLHNUMBM-NJYVYQBISA-N 385.508 2.638 0 1 GFAF Cc1ccc(O)c2nc(CCNC(=O)c3ccc(-n4cnnc4)cc3Cl)[nH]c12 299865460 TXOXSRNUVPNNFW-UHFFFAOYSA-N 396.838 2.784 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C)c(C)c3[nH]2)[C@@H](C)O)cc1 586937857 UZRZJJARNVIQGF-FZKQIMNGSA-N 389.477 2.589 0 1 GFAF CCOC(=O)[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587762056 CTOJZSFQLZYNRK-QGHHPUGFSA-N 396.260 2.663 0 1 GFAF CC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587830462 FHIQTDFARZQEGK-ZSVHLMMYSA-N 382.229 2.984 0 1 GFAF C=C1NC(=O)C([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)=C(C)N1 587798662 VANLAZIWLLIOPP-CQLKUDPESA-N 380.261 2.802 0 1 GFAF Oc1nc2ncccc2n1-c1nc(N2CCC[C@H]([C@@H](O)C3CC3)C2)ccc1F 1772604255 NPNHGCUWUHBIIE-GUYCJALGSA-N 383.427 2.648 0 1 GFAF CN(C)S(=O)(=O)Nc1ccc(N2CCC(NCc3cccs3)CC2)cc1 12152250 NUFVFFXGFLCGPE-UHFFFAOYSA-N 394.566 2.725 0 1 GFAF Cc1cn(CCCNC(=O)[C@]2(C)CC2(Br)Br)cn1 169347272 MIOVETAEYCNGMJ-NSHDSACASA-N 379.096 2.594 0 1 GFAF COc1cccc(N2CCN(CCCCNC(=O)c3cccc(C)n3)CC2)c1 166553150 KUPPIFHNMMBQBH-UHFFFAOYSA-N 382.508 2.731 0 1 GFAF COc1ccccc1CCN=c1[nH]c(N2CCC[C@H]2CO)nc2ccccc12 1857543536 IXQCTPHKRIPNNE-KRWDZBQOSA-N 378.476 2.676 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2CC[C@@H]1[C@](C)(C(=O)O)[C@@H](O)CC[C@]13C 2356323922 FRMDUQCTSZKXQF-TZLDMVPMSA-N 392.492 2.669 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc([C@H](c2ccccc2)N2CCNCC2)cc1 22939774 BVBMPXYNTVNBOJ-NRFANRHFSA-N 387.549 2.712 0 1 GFAF CNCCNCc1cccc2c1[C@@]1(O)CCc3c(c4cc(OC)ccc4n3C)[C@H]21 26575670 PVRCTIJZBSMYED-ZEQRLZLVSA-N 391.515 2.775 0 1 GFAF CO[C@@H]1CC[C@]2(C)[C@H](OC(C)=O)C(C)(C)[C@@H]3[C@H](OC(C)=O)C[C@H](C)[C@H]1[C@@]32O 2356592910 PKPLUXCTSIEECK-GTMXAUMLSA-N 382.497 2.708 0 1 GFAF CC[C@@H]1C(C(=O)OC)=C2Nc3cc(OC)ccc3[C@]23CCN2C(=O)C=C[C@H]1[C@H]23 2356645812 GAFRJVYOKFJQKI-INEOQGJTSA-N 380.444 2.612 0 1 GFAF COc1c2c(cc3c1OCO3)[C@H](c1cccc3c1OCO3)[C@@H]1C(=O)OC[C@H]1C2 2356787132 UFEZQYFXESTBRQ-LWNYNHHKSA-N 382.368 2.630 0 1 GFAF COCCN(CCF)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 71318957 VGPMUJRKFXDSJW-UHFFFAOYSA-N 388.447 2.542 0 1 GFAF NCCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1 73387143 CGJFBVAQFCVHQT-UHFFFAOYSA-N 397.291 2.717 0 1 GFAF O=C(NCC1CC1)c1ccc2c(c1)S(=O)(=O)c1cc(Cl)ccc1C2=O 36389421 VPUABVMXCIVHHF-UHFFFAOYSA-N 375.833 2.857 0 3 GFAF Cc1cc(C)nc(O[C@@H](C(=O)O)C(CO)(c2ccccc2)c2ccccc2)n1 72172010 LYHUKQHBVXTMBZ-IBGZPJMESA-N 378.428 2.904 0 1 GFAF CC(=O)O[C@H]([C@H](O)C/C(C)=C/CC/C(C)=C/CC/C(=C\CO)CO)C(C)(C)O 215949374 ZJXUGIHNAZCNTF-UHXWEALOSA-N 398.540 2.804 0 1 GFAF CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)cc1 82082222 MSTOIMQGZRFMJM-UHFFFAOYSA-N 379.441 2.959 0 1 GFAF O=C(c1ccon1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1 299871791 ZHGHITGZWSFFFW-IBGZPJMESA-N 380.791 2.536 0 1 GFAF O=C1NCCN1CCOc1nn(-c2ccc(F)cc2F)c2ccc(F)cc12 653848710 JGWFEASWZPTQCO-UHFFFAOYSA-N 376.338 2.847 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(NC(N)=O)c3)[nH]c2c1 587241407 CDJBHCNPRIUOQS-UHFFFAOYSA-N 387.465 2.751 0 1 GFAF CC1=C(c2ccc3nc(CCC(=O)c4ccc(N)cc4)[nH]c3c2)NNC(=O)C1 587251972 SFZXVPYRLBXIPG-UHFFFAOYSA-N 375.432 2.716 0 1 GFAF N=c1[nH]cc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc-2[nH]1 587113415 JFFIJBOGFLKJEE-UHFFFAOYSA-N 382.371 2.608 0 1 GFAF CCOc1ccc(-c2nn(C(=O)CCO)c(=O)c3ccccc23)cc1OCC 587670751 HUIPEZDTRXSJCI-UHFFFAOYSA-N 382.416 2.884 0 1 GFAF CN1C(=O)C[C@H]2CN[C@@](CC3OCCO3)(c3ccc(F)cc3)c3cccc1c32 963027642 OULLSBPSCUNENM-FPTDNZKUSA-N 382.435 2.886 0 1 GFAF CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1 222974107 JCOQDKZVKXILLW-UHFFFAOYSA-N 376.419 2.891 0 1 GFAF O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Br)cc1 13763553 NQXVELVXYLJZFV-UHFFFAOYSA-N 395.234 2.607 0 1 GFAF COC(=O)[C@H]1N=C(SCc2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 103004866 UWQGLWWWCAGZKD-IKGGRYGDSA-N 394.452 2.679 0 1 GFAF CNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 59114534 YPBPMHNGMUTNFM-UHFFFAOYSA-N 377.488 2.807 0 1 GFAF CCN(CC)C[C@@H](Cn1cnc2c(N)ncnc21)NCc1ccc(Cl)cc1 66075669 NZIBHEVNYLCJJG-INIZCTEOSA-N 387.919 2.562 0 1 GFAF Cn1cc(-c2cnn3c(N)c(-c4cccs4)c([C@H]4CCCNC4)nc23)cn1 60327803 HWVNKNIQOWTEQJ-LBPRGKRZSA-N 379.493 2.908 0 1 GFAF CC(C)NC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356395959 XYEPBXVKFWDSRA-OLZOCXBDSA-N 376.432 2.775 0 1 GFAF CC[C@]12CCCN3CCc4c(n(c5c(OC)cccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 2356434623 YOPDTZWFESWRCS-BAGYTPMASA-N 384.476 2.961 0 1 GFAF O=C1NC(=O)C(c2c3n(c4ccccc24)CC[C@H](CO)C3)=C1Nc1ccccc1 34034928 XKPHPTHLQNGXJQ-AWEZNQCLSA-N 387.439 2.676 0 1 GFAF O=C(O)CCC[C@@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 33956047 FTBNLUSUCXCIGD-OVCPVMRKSA-N 390.476 2.782 0 1 GFAF Nc1cc(N2CCN([C@@H](CN3CCCCC3)c3ccc(F)cc3)CC2)ncn1 219040896 YBTRLRWHXNZKMS-IBGZPJMESA-N 384.503 2.547 0 1 GFAF Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 40900131 NZIJRFICRMNCGN-WMLDXEAASA-N 380.510 2.781 0 1 GFAF CC[C@H]1C[C@@H]2CN3CC[C@]4(Nc5ccc(OC)cc5C4=O)[C@](C(=O)OC)(C2)[C@@H]13 137917653 ZZJBUKQZGMCYEE-IFMAQRSRSA-N 384.476 2.726 0 1 GFAF O=C1c2cnn(-c3ccccn3)c2CCCN1C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95587986 QDAUCYFWRJSXFP-CORHZCKRSA-N 378.476 2.595 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 95795733 QPXWAONWWYNYJO-BJCXEUHNSA-N 394.446 2.670 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4CCCS4(=O)=O)c1)[C@@H](C2)C3=O 587452256 NRVKLJZUPCZYJI-UWJYYQICSA-N 399.468 2.898 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc4[nH]cc(C(=O)O)c(=O)c4c1)[C@@H](C2)C3=O 587435798 IVXNVBAWXZKNCJ-OYHNWAKOSA-N 391.379 2.898 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(OC)c1)(C(O)O)CC2=O 587475603 BCZOCQYIVVQCAI-NRFANRHFSA-N 388.416 2.533 0 1 GFAF CC(C)(C)OC(=O)NCc1nc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cs1 587014263 NPKRTKPUEBQJEO-UHFFFAOYSA-N 381.849 2.519 0 1 GFAF CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587402294 BEQFSCAPEWKXQH-QFIPXVFZSA-N 397.427 2.969 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(N)(=O)=O)cc2)N1 587843084 YKMCCFYKICEPKL-ABKXIKBNSA-N 399.285 2.859 0 1 GFAF O=C(O)c1noc(-c2cccc(NC(=O)c3cc(Br)c[nH]3)c2)n1 1772578243 GJGBWMKNCVVUPE-UHFFFAOYSA-N 377.154 2.778 0 1 GFAF O=C1NC(=O)[C@]2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(Cl)cc1 1857562048 UPCSFRZEXYXKMW-GOSISDBHSA-N 390.848 2.812 0 1 GFAF COc1cc(-c2cnc3c(N4CCC[C@@H](C(N)=O)C4)snc3c2)ccc1N 1857636587 SKRNYYDEQDZNNS-GFCCVEGCSA-N 383.477 2.651 0 1 GFAF O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc3cnccc3c2)CC1 1857758092 FHJHTDFUISSJSW-UHFFFAOYSA-N 387.505 2.648 0 1 GFAF CCc1nc(NC[C@H]2CCCN2CC)c2nnn(Cc3ccccc3F)c2n1 4356322 KVPIAVWXUXBJKC-OAHLLOKOSA-N 383.475 2.867 0 3 GFAF O=c1[nH]c(=O)n(COCCO)c(Sc2ccccc2)c1/C=C/c1ccccc1 6578334 MARXYUXLVABKCN-VAWYXSNFSA-N 396.468 2.825 0 1 GFAF COc1nc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cs1 117707120 BNOYRDUPHFYYTI-GFCCVEGCSA-N 385.424 2.666 0 1 GFAF COCCn1c(C)cc(C(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)c1C 100452299 DZJVYXDAMKUXEQ-UOBYYGQQSA-N 389.492 2.809 0 1 GFAF O=C1NCCN1CCN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccccc32)CC1 26378839 VYMYVEYPDIKLSJ-XZOQPEGZSA-N 390.531 2.906 0 1 GFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(F)cc4c2C[C@@]3(O)[C@H]1C5 28955454 TUMHJCRNWJSMQK-LMDOGRNLSA-N 392.430 2.932 0 1 GFAF Cc1ccc(S(=O)(=O)N[C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 28230565 MCNNGAYZMDJZMX-FMGVOEILSA-N 379.478 2.822 0 1 GFAF CCC(=O)O[C@@H]1C=C2CCN3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@H]1OC(=O)CC)OCO5 2356594653 FHZQSULZQZRVBO-YCZSINBZSA-N 399.443 2.670 0 1 GFAF CC(=O)OC[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@@]4(O)CO 2356646997 XAWLPRCYLCCVFP-KXIUITPMSA-N 394.508 2.751 0 1 GFAF CC=C1C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@]2(COC(C)=O)C(=O)OC 2356687868 DPOLCWCHNHLFAV-AOMKIAJQSA-N 382.460 2.924 0 1 GFAF O=C1CC2=C[C@H](NCCc3c[nH]c4ccccc34)[C@H]3C[C@@]2(O1)[C@@H]1CCCCN13 2356739475 DACSTSLWMITFKA-KGSLCBSSSA-N 377.488 2.921 0 1 GFAF CN1Cn2c3ccc(O)c(Br)c3c3ccnc(c32)[C@H]1C[S@@](C)=O 15209782 FKKGARBPUIRMFS-BGJPBQGDSA-N 394.294 2.980 0 1 GFAF biogenic Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNC[C@H](F)c2cccc(F)c2)c1 49054895 NOLWAWWUERSXHH-UXPWSPDFSA-N 390.478 2.559 0 1 GFAF in-vitro COCC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 49034719 FDEMBGHEKRNESY-HNNXBMFYSA-N 391.464 2.841 0 1 GFAF O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1cccnc1 95894927 BUTOOXDHWZTZNV-FSSWDIPSSA-N 379.504 2.831 0 1 GFAF COc1ccc(Nc2ncc(Br)cc2-c2nc(C)nc(N)n2)cn1 95557149 VBYCMVGPGAGETD-UHFFFAOYSA-N 388.229 2.734 0 1 GFAF COc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H](O)C2 32206785 XTGUWFUENAJQSX-KUHUBIRLSA-N 376.405 2.767 0 1 GFAF biogenic COC(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2n1 587124827 OYCCJZSFSIEGOU-CPCISQLKSA-N 380.330 2.916 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN2CCN(C)CC2)N1 587766258 MSTLBWZOJIJFQP-UGSOOPFHSA-N 384.337 2.975 0 1 GFAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587066391 BDZVXEDKOADWEA-UHFFFAOYSA-N 387.779 2.947 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 586947132 UGNDISQEXJKZME-LBPRGKRZSA-N 393.415 2.965 0 1 GFAF COc1ncnc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584499 AOQSBRAPQSECHO-KBXCAEBGSA-N 380.356 2.902 0 1 GFAF COC(=O)c1ccc2c(c1)[C@@]1(CCC2)NCCc2ccc(C(=O)N(C)C)cc21 962929753 WUAOQDRIBJJRNI-QHCPKHFHSA-N 378.472 2.901 0 1 GFAF CC(=O)OC[C@]1(c2ccc(Cl)cn2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963038609 WTICEYGPDNGUKE-XCLFUZPHSA-N 385.851 2.595 0 1 GFAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cc(CO)no1 118706961 SPZDKENJERRLBU-UHFFFAOYSA-N 387.392 2.773 0 1 GFAF CN1CC2=C(C1=O)[C@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 13580074 QFXIUFRNBCMKGP-CQSZACIVSA-N 393.212 2.695 0 1 GFAF C[C@@]1(c2sc(-c3cncnc3)cc2Cl)CS(=O)(=O)C2(CCC2)C(N)=N1 207734895 ZYXFMVGPCONVBU-HNNXBMFYSA-N 396.925 2.782 0 1 GFAF Cc1nc([C@H](CC(C)C)NC(=O)c2cccc(S(=O)(=O)CC(C)C)n2)no1 207740037 SGOPBLWCGZIDED-HNNXBMFYSA-N 394.497 2.720 0 1 GFAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H]4CC=C[C@@]15c1cc[nH]c1C[C@]3(C)[C@@]245 2356343128 JFHIBKUEFPCDHR-PUYPCPGMSA-N 381.472 2.963 0 1 GFAF Cc1csc(N(C)CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)n1 3788964 IIURXSYBFCGYCL-CQSZACIVSA-N 377.491 2.861 0 1 GFAF O=C(COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)NCCc1ccc(Cl)cc1 100434774 UYQXCHTVTHRAKH-RKAKKKFESA-N 391.895 2.873 0 1 GFAF CN1CCN(c2cc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1 45283393 NBZUOYQZKBUFGU-UHFFFAOYSA-N 394.450 2.761 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OC[C@@H]2CCCN2C)co1 82073479 MTRJEOYDZHOHHM-LPHOPBHVSA-N 397.475 2.892 0 1 GFAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccs1)CC3 82195995 UXAHJGZYAZKUGZ-UHFFFAOYSA-N 380.429 2.782 0 1 GFAF O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCCC1 95570666 NQZSYQKSNDKNBI-FSSWDIPSSA-N 379.504 2.717 0 1 GFAF O=C(OC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC[C@H](c2ncc(Cl)cn2)C1 147385728 VBFMSLCCLACWLX-TZUFXMLPSA-N 377.872 2.996 0 1 GFAF Cc1c(Cl)ccc2cc3c(nc12)SC(NCCN1CCOCC1)=NN=C3 98085386 DVUYUIPCIXWDGF-UHFFFAOYSA-N 389.912 2.914 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@H]3C[C@H]4C[C@]3(CC[C@]4(O)CO)[C@]2(C)CC[C@H]1O 254201047 SSEWIUPYEWEJEH-PZESTUNMSA-N 380.525 2.657 0 1 GFAF O=C(O)c1cccc(N2C(=O)c3cccc4c(-c5nn[nH]n5)ccc(c34)C2=O)c1 621476336 AOIKDVHYCQEORA-UHFFFAOYSA-N 385.339 2.519 0 1 GFAF Nc1ncnc2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc12 587113846 MWJJUXTVOZHGSX-UHFFFAOYSA-N 382.371 2.826 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CNS(=O)(=O)c3ccsc31)CC2=O 587491058 ICHWHBJEUKYCAC-QGZVFWFLSA-N 379.459 2.559 0 1 GFAF CCOC(=O)Cn1nc(C)c([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c1C 963577012 CCQBRLJKMAQJDL-XUSGNXJCSA-N 387.480 2.704 0 1 GFAF CNC(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c-2c1=O 169730461 MJYZMXROKHZLFP-UHFFFAOYSA-N 393.274 2.768 0 1 GFAF COc1ccc2nc(-c3nonc3N)n(CC(=O)Nc3ccccc3Cl)c2c1 299867780 YTDOYRCXWVUHEE-UHFFFAOYSA-N 398.810 2.969 0 1 GFAF CCOP(=O)(CC1CC(O)(CNc2cc(Cl)nc(N)n2)C1)OCC 1645803 MUNNQJHPDKYJBH-UHFFFAOYSA-N 378.797 2.531 0 1 GFAF Cc1ccccc1[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1NC(=O)c1c(-c2ccccc2)noc1C 2356286591 HGBSYHMFUVHHTB-MOXQZVSFSA-N 392.455 2.966 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)O[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C1 101371114 LFLUHUHUEAGKGT-KDKFYEDISA-N 380.485 2.662 0 1 GFAF CS(=O)(=O)Cc1cc(N2C[C@H]3CC[C@H](C2)O3)nc(-c2ccc3[nH]ccc3c2)n1 101508670 WLUUEQZPBDKNPQ-IAGOWNOFSA-N 398.488 2.537 0 1 GFAF CC(C)Nc1nc(-c2ccc(N3CCCC3=O)cc2)cc2ncn(C)c(=O)c12 115622320 LBNAXTGJWSHLMX-UHFFFAOYSA-N 377.448 2.943 0 1 GFAF NC(=O)c1cccc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2 68248920 UYRWBJIRLVJAMX-UHFFFAOYSA-N 377.435 2.784 0 1 GFAF O=C(COc1ccccc1Br)c1ccc(N2CCOCC2)nc1 73196349 BANYHRKMJFRMCK-UHFFFAOYSA-N 377.238 2.942 0 1 GFAF CCN1CCc2c(sc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)C1 40976020 FXIPGJQDJQAWOP-UHFFFAOYSA-N 376.478 2.965 0 1 GFAF O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 224884284 UYMIJCXZWZQQMM-HXUWFJFHSA-N 382.460 2.935 0 1 GFAF CC(C)=CCn1cc(C[C@@H]2NC(=O)/C(=C\c3cnc[nH]3)NC2=O)c2ccccc21 238750409 LNDPRITVIFKMJL-JHBOHYQCSA-N 389.459 2.529 0 1 GFAF COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@H](CC(C)C)NC2=O)cc1 95898387 XBRFMSFVCPUMGC-ROUUACIJSA-N 386.496 2.597 0 1 GFAF COC(=O)C1=CCC[C@H]2[C@@]1(CO)CC[C@@H](C)[C@]2(C)CC[C@@H]1C(=O)O[C@H]2O[C@@H]12 238741118 PJEIFIYMLSWXAP-TYXVGPSGSA-N 378.465 2.589 0 1 GFAF CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CC1)C(=O)c1ccccn1 95895650 YIACDIBXRYVPNT-BDTNDASRSA-N 379.504 2.783 0 1 GFAF NC(=O)c1cnc(NC[C@H]2CCCNC2)n2cc(-c3ccc(Cl)cc3)nc12 96269924 MDPIEVAHTVKPRT-LBPRGKRZSA-N 384.871 2.560 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2CCN(C)CC2)N1 587765956 LKIVERFEHASEEW-ACJLOTCBSA-N 384.337 2.975 0 1 GFAF CCOC(=O)[C@@]1(c2nccn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587755092 ODQJSWNNIPMZCY-BMLIUANNSA-N 396.260 2.663 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(=NCCCC(=O)O)[nH]c1C)O2 587415180 YDKNCZCPTJUHME-IBGZPJMESA-N 389.477 2.921 0 1 GFAF COc1cc(OC)c2[nH]c(CNS(=O)(=O)/C=C\c3ccc(C)cc3)nc2c1 586940712 DCKOMWWYNBDSQA-HJWRWDBZSA-N 387.461 2.979 0 1 GFAF CC(C)C[C@@H](CO)N1CCN(Cc2ccc(Br)cc2)CCC1=O 12474654 GHIBWRMRRBOMMA-KRWDZBQOSA-N 383.330 2.890 0 3 GFAF Cc1cc(OS(=O)(=O)O)c2c(-c3ccc(O)cc3)[n+]3n(c2c1)CCCC3 169397518 PIIGHYPMPPFOCX-UHFFFAOYSA-O 375.426 2.585 0 1 GFAF Cc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)on1 167999769 NXFUOYOAUIAIFL-UHFFFAOYSA-N 398.471 2.670 0 1 GFAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OC[C@H]3CCCO3)ccc1-2 209697988 DFBLFEOEHLUIJI-MSOLQXFVSA-N 398.459 2.582 0 1 GFAF CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 592633 PJZNKHQOABLVTK-UHFFFAOYSA-N 399.881 2.994 0 1 GFAF COc1ccc(-n2nnnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(OC)c1 932202 RYFCRQICUPSHRP-STQMWFEESA-N 391.497 2.561 0 3 GFAF CN[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CO)CC(C)C 1692686 UHVSQRROPNCAHP-IFMALSPDSA-N 384.520 2.919 0 1 GFAF CN1C[C@@H](NCC2CC2)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356455034 DSSCLTIVLAXSQG-LPHOPBHVSA-N 393.478 2.598 0 1 GFAF Cn1c(C(=O)N2CCC[C@H](C(=O)NCc3ccccn3)C2)cc2sccc21 4911571 DXDIHGSEVYACTM-AWEZNQCLSA-N 382.489 2.803 0 1 GFAF CO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC 103529622 SMJUFMHKHPKRMF-RVROTUBLSA-N 380.202 2.556 0 1 GFAF CN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4ccccc4F)cc3-2)C1 58638744 XZZOJFOFCDHYRX-UHFFFAOYSA-N 388.446 2.908 0 1 GFAF in-vitro Cc1cc(O)c2c3c4c(cc(O)c13)[C@@](C)(O)C(=O)c1c(O)cc(O)c(c1-4)C2=O 14641515 BMNYYLNOCTUKIY-OAQYLSRUSA-N 378.336 2.586 0 1 GFAF biogenic CN(C)CCCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 82088103 MQSAMHJSBUIXOS-UHFFFAOYSA-N 375.494 2.767 0 1 GFAF CC(=O)NCCn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187619 JPWANBADGXHMTH-UHFFFAOYSA-N 382.443 2.634 0 1 GFAF CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895302 UQDFHIHWLAWPMJ-XPWALMASSA-N 392.499 2.897 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)C3CCC3)N(C(=O)NCCC)[C@H]2CO)cc1 95894807 NTXLBDSQIMZREH-CUBNDNOMSA-N 399.535 2.884 0 1 GFAF Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1 141962892 BETYSPUHSNAASH-UHFFFAOYSA-N 394.431 2.928 0 1 GFAF COc1cccc(CNC(=O)Nc2ccc(C3=NC=N[C@@H]4NC=C[C@@H]34)cc2)c1 299870152 VXWKWVCSWMPYPN-ICSRJNTNSA-N 375.432 2.907 0 1 GFAF Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3C)c2=O)c1 299855315 DKONILUAMRIDPI-UHFFFAOYSA-N 377.444 2.622 0 1 GFAF COC(=O)c1ccc(-n2c(OC)cc(C(C)=O)c2OC)c(O[C@H]2CCOC2)c1 587924818 KIBSKXLYRZKHLI-AWEZNQCLSA-N 389.404 2.651 0 1 GFAF CCOC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]n1 587592879 IAWINVYQYDONOL-QFBILLFUSA-N 380.356 2.995 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccnc(Br)c2[nH]1 587232554 ZCJFOVSTCFGFKS-WDEREUQCSA-N 381.274 2.757 0 1 GFAF CCNC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581337 HBPFUBYQQKMNCA-KRWDZBQOSA-N 382.416 2.918 0 1 GFAF C=C1C=C(C)N2NC([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)=NC2=N1 587585709 HAVZYGJMSBELFE-QFBILLFUSA-N 388.383 2.728 0 1 GFAF O=c1cccc(-c2nc3c(O)nncc3[nH]2)n1CCOc1ccccc1Cl 587064892 WTVQBZHFKQXEHP-UHFFFAOYSA-N 383.795 2.620 0 1 GFAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C)c(F)cc3[nH]2)c1 587231226 MVVLBIAXRAWAHV-UHFFFAOYSA-N 398.438 2.958 0 1 GFAF CCOC(=O)Cn1nc(C)c([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1C 963577008 CCQBRLJKMAQJDL-LAJNKCICSA-N 387.480 2.704 0 1 GFAF COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C 12479843 FPUMRHHVDQYXQZ-XJKSGUPXSA-N 388.464 2.985 0 3 GFAF CC(C)(C)C1CS(=O)(=O)C(c2ccc(Br)cc2)S(=O)(=O)C1 13733472 OMGKQKKSYMDGKI-UHFFFAOYSA-N 395.340 2.953 0 1 GFAF COCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1Cc1c[nH]cn1 13803023 ZESVWFCJDOBZAV-IBGZPJMESA-N 378.476 2.926 0 1 GFAF C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)C1 17780667 XFGIONNEHGAZPS-ZWJWXYIHSA-N 399.601 2.616 0 1 GFAF COc1cc(-c2cnn(C3CC3)c2)cc(S(=O)(=O)c2cnc(CN)s2)c1 1857609152 STHMPMYMEFGFPR-UHFFFAOYSA-N 390.490 2.642 0 1 GFAF Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC[C@@]3(CCCNC3)C2)nn1 146683804 RZKZALJPCPTXOQ-OAQYLSRUSA-N 376.464 2.819 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356418936 BIEADAHRODWPEW-HNWUBRADSA-N 388.504 2.783 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2CC[C@@H]1[C@](C)(C(=O)O)[C@H](O)CC[C@]13C 2356323921 FRMDUQCTSZKXQF-JHBSVXGLSA-N 392.492 2.669 0 1 GFAF CCOCC(C)(C)[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356343685 UJFDLBWYYFZXDS-KCITZHQASA-N 382.497 2.734 0 1 GFAF Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3cnccn3)cc2c1 8617361 JHRMJTRTIBOYSV-SFHVURJKSA-N 392.459 2.756 0 3 GFAF CN(C)C(=O)N1CCN(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)CC1 28824673 HNYYGRRSIMNIJD-UHFFFAOYSA-N 376.460 2.999 0 1 GFAF CCOP(=O)(OCC)c1coc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1 29227100 SDUROOAJLXAIRS-ZDUSSCGKSA-N 391.357 2.691 0 1 GFAF COc1ccc(CCNC[C@H](O)COC(=O)c2ccccc2Cl)cc1OC 25972931 BBLPIBZSFDYOBH-HNNXBMFYSA-N 393.867 2.707 0 1 GFAF CCO/C(O)=C1\C(COCCN)=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1F 29416263 LMTRFDCZKQRTOU-QTIQAUKSSA-N 392.427 2.592 0 1 GFAF O=C1[C@H]2CCCN2C(=O)N1CCCCCCNC[C@H]1CCc2ccccc2O1 73275716 YPHKZFULFHHSKA-RTBURBONSA-N 385.508 2.957 0 1 GFAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@@H](O)C[C@@H]1N1CCN(C)CC1 33815045 BSGGUNAZMRJFTD-CJRSTVEYSA-N 396.531 2.939 0 1 GFAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C)C1 95868639 GDXMEWNKGITLMI-OAQYLSRUSA-N 391.515 2.919 0 1 GFAF COCCc1ccc(-c2c(C3CC3)nc3c(N4CCOCC4)nccn23)cn1 147785245 PWKCGULKVQINCZ-UHFFFAOYSA-N 379.464 2.694 0 1 GFAF N=C(N)NCCCCc1nccc2c3ccc(Br)cc3n(O)c12 72178855 IWEPNARAXMZDRC-UHFFFAOYSA-N 376.258 2.995 0 1 GFAF biogenic O=C1Nc2ccccc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 299861275 ICMZAWMTNBKNMH-OAQYLSRUSA-N 398.382 2.621 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC)C[C@H]1OC)CC2=O 587478737 SWBBHPCPCPVXHF-XLIONFOSSA-N 377.437 2.926 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4cncn4)c1)[C@@H](C2)C3=O 587429890 BPBAOTJPTUKUNQ-KKSFZXQISA-N 377.400 2.832 0 1 GFAF NCCOCCOCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587246809 XCKGOJNAMAVPFM-UHFFFAOYSA-N 396.207 2.879 0 1 GFAF CC(C)(C)NC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)N1Cc2ccncc2C1 1772593136 MLOKJJCINCOVFR-KRWDZBQOSA-N 385.512 2.717 0 1 GFAF Cc1nccc(C2CN([C@H](C)c3nc(O)c4cnn(C5CCCC5)c4n3)C2)n1 1772656929 JZIFWHUNGDCOGI-GFCCVEGCSA-N 379.468 2.906 0 1 GFAF COCc1nc(NC(=O)N[C@H](COC)c2ccccc2)cc2[nH]nc(OC)c12 1772651690 CNHZSSZFCLNZMM-CQSZACIVSA-N 385.424 2.622 0 1 GFAF COc1cc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2O)ccc1O 15271774 DPTBDDFTEJUSPN-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCCC(C)C 203472583 BMRGOGWFWJHHLM-IIBYNOLFSA-N 376.497 2.779 0 3 GFAF Cc1cc(C)cc(COC(=O)N2CCC(NC(=O)CCCc3cn[nH]n3)CC2)c1 209495738 LRTDMHCFKFFDGL-UHFFFAOYSA-N 399.495 2.662 0 1 GFAF O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1cc[nH]c1 207098626 OBCYZUXDQWIMJB-UHFFFAOYSA-N 385.427 2.823 0 1 GFAF COc1cc2c(cc1OC)[C@H]([C@@H]1OC(=O)c3cc4c(cc31)OCO4)N(C)CC2 2356329268 AGPVTPPNIRQNPQ-WOJBJXKFSA-N 383.400 2.873 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 101371116 LFLUHUHUEAGKGT-AZAZHDDCSA-N 380.485 2.662 0 1 GFAF O=C(c1ccc(Cl)cc1)c1ccc(OCCN2CCN(CCO)CC2)cc1 27420429 MGVVYGKYGBMZQG-UHFFFAOYSA-N 388.895 2.560 0 1 GFAF CS(=O)(=O)c1ccc(OCc2nnc3sc(-c4ccccc4)nn23)cc1 28709017 XHMVGWPMLPBRHB-UHFFFAOYSA-N 386.458 2.835 0 1 GFAF COc1ccc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)cc1 115731396 DOJLUEZEDJOOGV-UHFFFAOYSA-N 395.419 2.514 0 1 GFAF Cn1ccnc1CN1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356726043 QFWLLFMMQVVXQV-XJUOHMSHSA-N 396.535 2.793 0 1 GFAF Cc1c(C)c2ccc(OCC(=O)NCC3CCC(C(=O)O)CC3)cc2oc1=O 2116732 NFFRJLIAGVJWIQ-UHFFFAOYSA-N 387.432 2.796 0 1 GFAF biogenic CCCc1nc(C)c2c(NS(=O)(=O)CCC)nc3ccc(OC)nc3n12 49112940 FBEXNBCUXGNZPP-UHFFFAOYSA-N 377.470 2.699 0 1 GFAF N#Cc1cc(-c2ccnc(Nc3ccc(N)nc3)n2)cnc1N1CC[C@H](F)C1 222102760 YDMKWHGXAARJJK-AWEZNQCLSA-N 376.399 2.679 0 1 GFAF CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ncc(Br)cn3)C2)cc1 145734200 MDPIYITZHPSWQW-GFCCVEGCSA-N 389.297 2.910 0 1 GFAF Cc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O3)cc1 95710899 FPYFRAAYXDWLDR-LZJOCLMNSA-N 397.519 2.839 0 1 GFAF CNC(=O)c1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12 95582528 HFXZZHGJIOHSBE-UHFFFAOYSA-N 393.804 2.574 0 1 GFAF CCCNC(=O)N1[C@H](CNC(C)=O)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO 95895798 LLORUJGLHNUMBM-QHAWAJNXSA-N 385.508 2.638 0 1 GFAF COc1ccc2cc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)c(Cl)nc2c1 98083026 GKIPLIGRSVIYQG-HNNXBMFYSA-N 378.841 2.898 0 1 GFAF O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2CCO)OCO3 299823003 JGDIPVJHUIVZLE-SFHVURJKSA-N 385.803 2.824 0 1 GFAF O=C(/C=C/c1ccc(F)cc1)O[C@@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O 299820977 FGSLQJXNCRNYCT-RIYNODKNSA-N 398.386 2.567 0 1 GFAF CCN(CC)C(=O)c1nc([C@H]2CCCCN2C(=O)COc2ccccc2)no1 299855456 FFMXTAUINWZRID-MRXNPFEDSA-N 386.452 2.684 0 1 GFAF Cn1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1=O 963187448 USGOGSYGGSHYOO-NHYWBVRUSA-N 386.757 2.746 0 1 GFAF CC(C)(C)c1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)[nH]n1 12316234 FKQHMWOFWALSFB-OAHLLOKOSA-N 386.471 2.901 0 3 GFAF O=C(Cc1cccc(CO[N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1 1911571088 LNALMQSCQMTAJK-UHFFFAOYSA-N 383.448 2.718 0 1 GFAF C[S@@](=O)c1cc2n(c1C(=O)c1ccc(Br)cc1)CC[C@H]2C(=O)O 28224401 BLIQSPOMTUZSPX-BGJPBQGDSA-N 396.262 2.791 0 1 GFAF COc1ccccc1[C@H]1CN2C(=O)CN(C)C(=O)[C@@]2(C)c2[nH]c3ccccc3c21 2127044 YFRZXQKRWIEPMR-WAIKUNEKSA-N 389.455 2.838 0 1 GFAF biogenic CCCC[C@H](CC)CN(C)C(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl 71332784 KXIMOWLUWHMILF-ZDUSSCGKSA-N 392.887 2.863 0 1 GFAF CCNc1nc(NCCCNC(=O)c2ccoc2)nc2cc(OC)c(OC)cc12 82118634 QUHJSUSZHFDXOQ-UHFFFAOYSA-N 399.451 2.904 0 1 GFAF COc1cc2c(cc1OC)[C@@H](O)[C@@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 45506634 INORIHCJQBEOOS-ZWKOTPCHSA-N 385.416 2.684 0 1 GFAF NS(=O)(=O)c1ccc(NN2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1 84731391 MDPPXDRCGARZBD-HNNXBMFYSA-N 383.882 2.589 0 1 GFAF COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12CC5=O)[C@H]43 238745256 RFDZKVWQCWCSHZ-BDKRGJGYSA-N 380.444 2.655 0 1 GFAF O=S(=O)(c1ccccc1)c1cc(N2CCOCC2)c2oc3c(c2c1)CNCC3 147610439 HMCDTRQEAIEMBY-UHFFFAOYSA-N 398.484 2.748 0 1 GFAF Cc1cccc([C@H]2C[C@@H]2NCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1 95592859 AMEMBWOWTMXVHT-YJMBLLCNSA-N 380.536 2.573 0 1 GFAF CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(C)=O 95894963 LLORUJGLHNUMBM-ACRUOGEOSA-N 385.508 2.638 0 1 GFAF COc1ccc([C@@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc1O 653821652 IBGDVWJNEJOUPY-INIZCTEOSA-N 399.399 2.795 0 1 GFAF CSc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 586954944 JLEKCXBKPJFCKS-UHFFFAOYSA-N 388.518 2.852 0 1 GFAF Cn1cccc1[C@@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963152368 UPOMCZZEHYJHGS-XIKOKIGWSA-N 377.466 2.992 0 1 GFAF N#Cc1ccccc1-c1ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc1 165895746 KIOUPKIABVXLGJ-QGZVFWFLSA-N 380.400 2.592 0 1 GFAF O=C(CN1CCC(C2N=c3ccccc3=N2)CC1)Nc1cccc2ccccc12 63699771 ZZFGMGJFSUSWCD-UHFFFAOYSA-N 384.483 2.769 0 1 GFAF O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(Br)c1 1772636413 LSGGZFOHUQKSGS-UHFFFAOYSA-N 388.217 2.878 0 1 GFAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@@]2(C)C[C@@]1(C)[C@]4(CO)C(=O)OC 2356435157 SWXWVRQIVSZLGF-LUKWVAJMSA-N 380.488 2.997 0 1 GFAF C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 3045966 BQNRGKURXRLXES-AEFFLSMTSA-N 385.574 2.514 0 3 GFAF O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)NC1CCCCC1 4217950 WSVGLRBNXBJKLR-UHFFFAOYSA-N 394.435 2.634 0 3 GFAF CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 103108537 QUDLZXRYDTUMMH-OOHCVHABSA-N 385.460 2.882 0 1 GFAF C[C@]12CC[C@@H]3[C@@H](CC[C@]45O[C@H]4C(=O)C(Br)=C[C@]35O)[C@@H]1CCC2=O 26286119 DLKVIAAYKCABCC-RJLXIFOBSA-N 381.266 2.522 0 1 GFAF O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cncnc2)ccc1=O 25435777 YEFGNSJSPFUKNJ-CVEARBPZSA-N 387.443 2.957 0 1 GFAF biogenic CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)CC2=CC[C@H](O)[C@@H](C)[C@@]21C 2356567442 UFRLMTUHNLTWIZ-UOYGLFALSA-N 376.449 2.818 0 1 GFAF COc1ccc(-c2noc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 21522472 ZZUBQSGNAABYRW-UHFFFAOYSA-N 394.431 2.796 0 1 GFAF COc1ccc(-n2ccnc2CN2CCN(C3CCCC3)[C@H](CCO)C2)cc1 36385731 ZTVRSMCWPKVKKE-HXUWFJFHSA-N 384.524 2.692 0 3 GFAF CC[C@]12C=CCN3CCc4c(n(c5cc(OC)ccc45)[C@](O)(C(=O)OC)C1)[C@H]32 14829332 HTWQPFKEAAOZFQ-ILWGZMRPSA-N 382.460 2.737 0 1 GFAF biogenic COc1ccc2c(c1)OC(C)(C)C1=CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@@H]12 72107919 PZMZKHSRDNMYLG-LJQANCHMSA-N 391.427 2.510 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)C(=O)c2ccccn2)cc1 95895769 WPXBDGFNEBLHLG-CLUXDEMPSA-N 393.487 2.562 0 1 GFAF CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H](CO)N2C(C)=O 95794602 ZOUIPPRUOXASKT-IRLDBZIGSA-N 378.472 2.651 0 1 GFAF O=C(Cc1cnn(CCO)c1C(F)(F)F)NCc1ccc(F)cc1Cl 95566121 IWIZKTFPLXDPNZ-UHFFFAOYSA-N 379.741 2.546 0 1 GFAF C[C@@]12CC[C@@H]3[C@](CC[C@@H]1C1=CC(=O)OC1)(CC[C@]1(O)C[C@@H](O)CC[C@]31C)C2=O 238783035 YWDQEEZIAVKYSZ-GZWQRGTNSA-N 388.504 2.927 0 1 GFAF O=S(=O)(NCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2 586940988 AYBHSPZYEBQGBK-UHFFFAOYSA-N 397.815 2.605 0 1 GFAF COc1cncc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586945351 DOYMPJCKAURUHC-UHFFFAOYSA-N 390.446 2.767 0 1 GFAF COc1ccc(N2C(=O)CN(C(=O)c3cc(OC)ccc3OC)CC2(C)C)cc1 12166436 YGIXMPGMQGHBDU-UHFFFAOYSA-N 398.459 2.980 0 1 GFAF O=C(NCc1cnc2ccccn12)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12303130 VBZMPSVZDCNXLY-INIZCTEOSA-N 380.423 2.528 0 3 GFAF Cc1cccc(Cc2nnc(CCC(=O)NCc3cn4ccccc4n3)o2)c1 12317696 HJYTWGBWQMYUKD-UHFFFAOYSA-N 375.432 2.866 0 3 GFAF CC[C@@]1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 13282468 ASVIEXKOXDCZDF-QFIPXVFZSA-N 390.395 2.650 0 1 GFAF biogenic,in-vitro NS(=O)(=O)c1ccc([C@H](Nc2nccs2)C(=O)c2ccc(F)cc2)cc1 13588963 ICDQORXVPZQSIP-HNNXBMFYSA-N 391.449 2.966 0 1 GFAF Cc1ccncc1-c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1 13812832 BQOCVAMTPQJBSF-UHFFFAOYSA-N 382.367 2.909 0 1 GFAF O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1Cc2ccncc2C1 167080392 ILGDYKLEVKRZAB-UHFFFAOYSA-N 386.477 2.804 0 1 GFAF O=C(C(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ccccc1)c1c[nH]c2cccc(F)c12 101872445 HKIBPHYNMONPQI-CABCVRRESA-N 391.402 2.615 0 1 GFAF COCCN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28128188 GPQJDEDSDGGZRT-UHFFFAOYSA-N 377.872 2.969 0 1 GFAF CCCC(=O)CC1=C(C)[C@H](OC(=O)c2c(C)cc(O)cc2O)[C@@](C)(O)[C@@H](O)C1 2356719681 DTAKGJIOWCMCMB-CUWPLCDZSA-N 392.448 2.523 0 1 GFAF O=c1c2cc(-c3ccccc3)nn2cc(-c2ccccc2)n1CCOCCO 72173272 PPMBNAXMDIHGEG-UHFFFAOYSA-N 375.428 2.839 0 1 GFAF CC(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(OC(F)(F)F)cc2)C(=O)O1 40860286 ABUXMZSTVMHGJQ-KYTCBBFDSA-N 388.338 2.846 0 1 GFAF CNC(=O)c1cnc2ccc(S(C)(=O)=O)cc2c1Nc1cccc(OC)c1 40913477 AQQRMCMVLQHMCF-UHFFFAOYSA-N 385.445 2.750 0 1 GFAF C[C@](N)(CO)C(=O)Nc1ccc(OCCc2ccc(C(F)(F)F)cc2)cc1 40404704 BSFBSGJFTWDZGP-SFHVURJKSA-N 382.382 2.975 0 1 GFAF CCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195391230 GILYTJDQDXXBEX-SINADELZSA-N 381.472 2.616 0 1 GFAF Cc1cnc(-c2cc(N3CCN(C(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 142345374 SUPHKFKGLZKVRR-UHFFFAOYSA-N 387.915 2.624 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 95793999 MWGJDOOTXHORJC-RTWAWAEBSA-N 397.494 2.960 0 1 GFAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CC[C@H](O)C2)cn1 143297696 JVJIBCPISWGYKC-KRWDZBQOSA-N 379.416 2.831 0 1 GFAF O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95893513 AQXNNYWGKMHKPX-PWRODBHTSA-N 376.456 2.802 0 1 GFAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cnncc2[nH]1 587109521 XAPRAKNUALQKOX-CYBMUJFWSA-N 397.382 2.898 0 1 GFAF C[C@]1(n2cc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)cn2)CCS(=O)(=O)C1 963097833 NRYCYMIAHBFOKC-RLLQIKCJSA-N 389.496 2.666 0 1 GFAF COc1ccc([C@]2(CC3OCCO3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963038597 WMFLOSQBZCILOR-WNSKOXEYSA-N 394.471 2.755 0 1 GFAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3CCOC3)c2)CC1 1772638884 DXTJGXRZOUQCAQ-GOSISDBHSA-N 387.524 2.788 0 1 GFAF COc1cc2nc(C[C@H](O)c3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC 5012492 UKACQCIHNUQGLS-AWEZNQCLSA-N 398.419 2.750 0 1 GFAF Cc1ccc(C(=O)NC(=S)NCCOCCN(C)Cc2ccccc2)cc1 13742419 APEXWSYWURSQFH-UHFFFAOYSA-N 385.533 2.748 0 1 GFAF OCCNc1nc(N2CCCC2)c2nc(Cl)c(NCc3ccccc3)nc2n1 13782038 OLSKCOCGPDATFG-UHFFFAOYSA-N 399.886 2.690 0 1 GFAF COC[C@@H](CO)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 13861686 LXKHZIVVODUPIX-MRXNPFEDSA-N 383.517 2.854 0 1 GFAF O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@H]([C@H]6[C@H]51)N2Cc1cccc(I)c1 169295957 CAYMCWKKHULDBH-LSTFAGSVSA-N 391.252 2.552 0 1 GFAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(-c2ccccc2)on1 1857751275 ZVHUDZLCVICRBS-KRWDZBQOSA-N 382.420 2.536 0 1 GFAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCOCCO 4213638 RNEIXQNGCLCKKE-PMACEKPBSA-N 392.496 2.834 0 1 GFAF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(CCCc2ccccc2)CC[C@@]1(C)O 2356289095 PLPVTHQDPLTIIS-RBZQAINGSA-N 396.531 2.948 0 1 GFAF CCN(CC)C(=O)[C@H]1CCC[C@H](NCc2ccc(OC)cc2)CN(C)C(=O)C1 2356529086 SOOVWFBYKIYBLN-OALUTQOASA-N 389.540 2.670 0 1 GFAF O=C(NC1CCN(C(=O)c2cccnc2)CC1)NC12CC3CC(CC(C3)C1)C2 36330688 MDTRXHNMVNACLA-UHFFFAOYSA-N 382.508 2.954 0 1 GFAF CC[C@H](O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 14708559 ALFZPGQZISPNOG-STQMWFEESA-N 390.432 2.855 0 1 GFAF biogenic NC(=O)Nc1cc(-c2ccc(F)cc2F)sc1C(=O)N[C@H]1CCCNC1 84671784 LOOLBFKTZMRRBN-JTQLQIEISA-N 380.420 2.666 0 1 GFAF O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 82152846 YZMIJJQYZQSGDI-YMPXZSTISA-N 397.468 2.704 0 1 GFAF CCOC(=O)C[C@@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82160233 CSOHLRASZHGCTP-GFCCVEGCSA-N 375.425 2.923 0 1 GFAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OC[C@H]3CCCN3C)co2)cc1 82073421 LOWZKAPBRKLCLE-IEBWSBKVSA-N 397.475 2.892 0 1 GFAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3cccc(F)c3)nc12 95591056 PNYBMHGALZVBBB-UHFFFAOYSA-N 375.381 2.703 0 1 GFAF CCOC(=O)[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346449 MMCSEUKPEIMPTH-LRXVAGHRSA-N 399.418 2.802 0 1 GFAF CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905199 YSKNFCHQHRZQNO-PXNSSMCTSA-N 393.361 2.900 0 1 GFAF Cc1ccnc2c1CCN[C@H]2c1ccc([Si](C)(C)c2ccccc2CO)cc1 963072496 SGWPTZSERAVPGJ-QHCPKHFHSA-N 388.587 2.940 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OCC1CN(Cc3ccccc3)C1)C2 1772634042 UTMMCKANACRRAZ-LJQANCHMSA-N 395.455 2.734 0 1 GFAF CC(C)(c1cc([C@]23CCOC[C@H]2C3)nc(-c2cccc(O)c2)n1)S(C)(=O)=O 1857570892 UGPOTDKTCTWFSI-VLIAUNLRSA-N 388.489 2.807 0 1 GFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(F)c(F)c2)n1 2356289309 SRXOYRVRFWAGGT-LNKGRISISA-N 391.462 2.568 0 1 GFAF C[C@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)NCCc1c[nH]c2ccccc12 28709809 HDCRPAHMKXIIDN-SHQCLWGWSA-N 377.444 2.750 0 1 GFAF CN(CCc1ccccn1)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356617646 LQQWABATLLGTPL-XJUOHMSHSA-N 392.547 2.696 0 1 GFAF CC[C@@H]1C[C@H]2N3CCc4c([nH]c5ccc(OC)cc45)[C@@]2(C(=O)OC)C[C@H]1[C@@H]3CO 2356642953 AHWBYIVXFGPCHZ-PQYCZKCXSA-N 398.503 2.625 0 1 GFAF COc1ccc(C(=O)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1OC 2356649619 RYPHKZUVFXPUMU-ZSDSOXJFSA-N 386.400 2.611 0 1 GFAF Oc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@H](c3c(O)cc(O)cc3O)[C@H]2O)cc1 14648795 WXKJGQBCHMDAPE-HBMCJLEFSA-N 398.367 2.547 0 1 GFAF biogenic NC(=O)[C@H]1CCCN(C(=O)CO[C@@H](c2ccccc2)c2cccnc2Cl)C1 45324663 BVBNHRUSXRBXKO-YJBOKZPZSA-N 387.867 2.565 0 1 GFAF CN1C(=O)[C@H](C(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2S1(=O)=O 139467598 RUWCNSLWWCWTSU-AWEZNQCLSA-N 399.255 2.876 0 1 GFAF O=C(CCc1cnn2c1CCc1cc(O)ccc1-2)Nc1ccccc1C(=O)O 40939496 PCUNTWOSLIUDRR-UHFFFAOYSA-N 377.400 2.946 0 1 GFAF in-vitro CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3F)n2)CC1 82151002 GPBJKRXKSYOTIT-UHFFFAOYSA-N 384.455 2.991 0 1 GFAF N[C@H](N=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586921106 XTENCFWLABFILY-LJQANCHMSA-N 384.461 2.792 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1c(N4CCCC4)nc(=N)[nH]c1Cl)[C@@H](C2)C3=O 587419321 FVFPOLKAQMIYQH-MEDUHNTESA-N 386.839 2.640 0 1 GFAF COC(=O)C[C@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775304 QOIFBTKVIAYHQY-QGHHPUGFSA-N 394.244 2.719 0 1 GFAF C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 16958564 OFUMSTVCETVCLF-BGUDKVOASA-N 397.427 2.963 0 3 GFAF CN(C)CCOc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726093 UWCXUAJDHXYHCN-MSOLQXFVSA-N 379.485 2.858 0 1 GFAF CCOC(=O)c1cc([C@@]2(O)CCN(C[C@@H](C)CC)C2=O)c(-c2cc(C)no2)[nH]1 1653953 CNOKFXLSLBHYKD-YUNKPMOVSA-N 389.452 2.621 0 1 GFAF COc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 22808916 DSNCXRXGMZSRBV-SFHVURJKSA-N 379.504 2.791 0 1 GFAF CCCCCCOC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2C)c1=O 28762037 TZIMGKKLWHMBFH-UHFFFAOYSA-N 376.384 2.711 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)[C@@H](Cc3ccccc3)N(C)C2=O)cn1 115732125 WJLNWYWWCBJKRJ-GOSISDBHSA-N 379.420 2.546 0 1 GFAF CC(C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@H](C)S2)CC1 27525271 FLBXKHJEHCERTE-NSHDSACASA-N 391.468 2.993 0 1 GFAF CC[C@@H]1CN2CC[C@]3(Nc4ccccc4C3=O)[C@@H]2C[C@H]1C(=COC)C(=O)OC 2356507281 ZGFZEUQTWZGDLW-LTTWPYNSSA-N 384.476 2.857 0 1 GFAF O=C1c2c(O)cc(O)c(Cc3cccc(O)c3)c2O[C@H](c2ccc(O)cc2)[C@@H]1O 2356659755 QTQFIIUIOXANIY-NHCUHLMSSA-N 394.379 2.777 0 1 GFAF CO[C@@H]1O[C@]2(Cc3ccc4c(c31)OCO4)c1cc3c(cc1CCN2C)OCO3 2356680032 QXPNCCVBNLAVEG-NHCUHLMSSA-N 383.400 2.703 0 1 GFAF C[C@]1(CO)CCC[C@]2(C)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@H]12)C(=O)OC3 2356717227 KPUHAJPJYZHSQY-MCEIDBOGSA-N 386.444 2.980 0 1 GFAF CC[C@@H](C(=O)OC)c1cc(=O)n2c(c1C(=O)OC)[C@@H]1Cc3ccccc3C[C@@H]1C2 38626869 XYBNRRYKRHDDET-BRWVUGGUSA-N 395.455 2.814 0 1 GFAF Cc1nc2cccc(-c3cc4c(n3C)[C@@H](CO)NC4=O)c2nc1NC(C)(C)C 222401789 GFNSSGCOEONQCH-OAHLLOKOSA-N 379.464 2.931 0 1 GFAF O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(c2nc(-c3cnccn3)no2)CC1 43021408 RUMNCJSUPKAMTM-DLBZAZTESA-N 390.447 2.972 0 1 GFAF Cc1ccc(C2=Nn3c(Cc4ccc(S(C)(=O)=O)cc4)nnc3SC2)cc1 84652694 NQEMLFVEDAFRDB-UHFFFAOYSA-N 398.513 2.939 0 1 GFAF COc1ncccc1-c1nccnc1OC1CN(c2ncc3ccccc3n2)C1 96168820 RBLLOLSSGIVOFH-UHFFFAOYSA-N 386.415 2.758 0 1 GFAF Cn1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)n1 95561822 CVPVAFWWADLNKG-UHFFFAOYSA-N 399.867 2.933 0 1 GFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586962447 RQQISSXKEYSQHU-GSVOUGTGSA-N 391.766 2.908 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(CS(=O)(=O)O)C3(C)C)O2 587410623 TYPPJFXTOXLUAP-HQOQDVMHSA-N 379.478 2.995 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Cl)cc3[nH]2)[C@@H](C)O)cc1 586935268 CZPCUAFSIPRIBH-QLJPJBMISA-N 395.868 2.625 0 1 GFAF COC(OC)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573856 USCOBWAGTJRPEW-NOUVTRLXSA-N 385.416 2.787 0 1 GFAF CC(=O)OCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587758747 JJMSVNCHRXUKGT-BMLIUANNSA-N 396.260 2.971 0 1 GFAF CC(=O)OCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587758749 JJMSVNCHRXUKGT-BTDLBPIBSA-N 396.260 2.971 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)cc1 586954402 BVAJRFAHCBJUQF-UHFFFAOYSA-N 398.488 2.539 0 1 GFAF CN(Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)Nc2ncn(C)n2)ncn1 1772602414 DRPUMYUCXIIGJZ-UHFFFAOYSA-N 391.357 2.513 0 1 GFAF O=P(O)(O)C(Nc1cccc(-c2ccc(F)cc2F)c1)P(=O)(O)O 13673773 UZLMDAFSNWYBMD-UHFFFAOYSA-N 379.192 2.683 0 1 GFAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)NCCO)CC[C@@H]4[C@@H]3CC[C@@H]12 169321564 RYYSYRHPOPBMEU-XTJUHGGMSA-N 376.541 2.575 0 1 GFAF Cc1c(/C=C/CC(=O)NCCCN2CCN(C)CC2)c(O)c2ccccc2c1O 169716738 JOSLMMTWQNPVKW-WEVVVXLNSA-N 397.519 2.716 0 1 GFAF O=C(NCc1ccccn1)c1csc(CCNCc2nc3ccccc3[nH]2)n1 1857595445 KGAAQQMOJPIOLU-UHFFFAOYSA-N 392.488 2.677 0 1 GFAF C=C(C)[C@@H]1CCC2=C[C@H](OC2=O)[C@@]2(C)C[C@@H]2C(=O)C=C(C)C(=O)[C@H]1OC(C)=O 254224085 NHVCNLPJSZCWRP-NWIYRFSSSA-N 386.444 2.867 0 1 GFAF COc1cc(NC(=O)CN2C(=O)C(c3ccccc3)=NC2(C)C)cc(OC)c1 2698746 RDXMAGZBMFXGQE-UHFFFAOYSA-N 381.432 2.710 0 3 GFAF CC(=O)N1CCSc2ccc(S(=O)(=O)NCCc3ccc(C)cc3)cc21 6892664 CNINCCFOLKJUNS-UHFFFAOYSA-N 390.530 2.975 0 3 GFAF C[C@@H](CN(C)C)NC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 58592713 VDPJIGRDFSBMRA-HNNXBMFYSA-N 392.507 2.898 0 1 GFAF COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](N(C)C)c1cc(=O)c(OC)ccc12 27714654 PJBSGYGSQRXHOS-NBHGPNQESA-N 387.476 2.779 0 1 GFAF CC=C1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1C(=COC)C(=O)OC 2356500200 RFHZMDBYJUMARX-VQPPSCEASA-N 382.460 2.620 0 1 GFAF CCC[C@@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCc1ccccc1 26744382 APLONXQODRXDCE-FIIODCPWSA-N 380.444 2.999 0 1 GFAF Cc1ccc(CNCC2(O)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 64549288 BMRVQIPUGJZZJK-UHFFFAOYSA-N 391.874 2.939 0 1 GFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCc3ccccc3F)C[C@H](O)[C@H]2CO)n1 2356758977 WZGGVPPZVPMQCH-XEYPJELSSA-N 387.499 2.603 0 1 GFAF CC[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 82207886 JVJPHJPKWVDWRZ-QGZVFWFLSA-N 383.496 2.650 0 1 GFAF CC(=O)Nc1cccc(Oc2cc(N3CCN(c4ccccn4)CC3)ncn2)c1 82067339 ZXBSUVXLWQDEOL-UHFFFAOYSA-N 390.447 2.949 0 1 GFAF CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 82196024 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YUQMJXYOZNEXJK-QFIPXVFZSA-N 399.443 2.890 0 1 GFAF CCOc1n[nH]c(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)c1Br 586979946 KZWSGOPEWATAFX-UHFFFAOYSA-N 395.213 2.909 0 1 GFAF CC1=C[C@@]2(CC(=O)N1CC(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 587756698 DZVWSNGSZAMDLN-XLFHBGCDSA-N 397.244 2.538 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@]1(C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)NCC2 962924185 NTTYPBZTJVLHAS-IPJJNNNSSA-N 382.508 2.755 0 1 GFAF Cn1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1=O 963187449 USGOGSYGGSHYOO-XHDPSFHLSA-N 386.757 2.746 0 1 GFAF Cc1cc2c(cc1O)[C@@H](c1ccc(OC3CCOCC3)cc1)N[C@H](C(=O)O)C2 963505975 DGDWFYHNJONCSD-PZJWPPBQSA-N 383.444 2.947 0 1 GFAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962915079 AITKYOPDTGYLQD-MPBUKGMASA-N 376.428 2.649 0 1 GFAF COc1cccc2cc3c(nc12)[C@]1(CCCC(Cl)(Cl)C1(O)O)NCC3 963055619 KBDBZLAGFPWBDI-INIZCTEOSA-N 383.275 2.623 0 1 GFAF CNCCCn1c2c(c3ccc(Cl)cc3c1=O)C(=O)c1cc(OC)cnc1-2 1772598725 YPQBFNDIPKXILP-UHFFFAOYSA-N 383.835 2.879 0 1 GFAF O=P(O)(O)C(O)(Cc1ccc(-c2ccc(Cl)cc2)cc1)P(=O)(O)O 13673820 FXENJFSMBFNESD-UHFFFAOYSA-N 392.668 2.551 0 1 GFAF COc1cccc(C(=O)NN2CCN(CCc3c[nH]c4ccccc34)CC2)c1 169343970 OADZKYUNHSRTNW-UHFFFAOYSA-N 378.476 2.682 0 1 GFAF Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)c2)c(C(N)=O)n1 1857572423 OOEAGDVMZUSPGC-UHFFFAOYSA-N 390.447 2.655 0 1 GFAF CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 2356290361 QQQRCTBZYBDVQW-WOJBJXKFSA-N 383.467 2.736 0 1 GFAF CCCN1CCN(C(=O)c2ccc(C[S@@](=O)c3ccc(OC)cc3)o2)CC1 9115710 QYBGUYRXMOPUSG-MHZLTWQESA-N 390.505 2.764 0 1 GFAF COCC[n+]1ccc(CCC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3S2)cc1 28460670 NVUGDYFHDGXOKY-NRFANRHFSA-N 388.509 2.856 0 1 GFAF CN(C)c1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247104 VOTXOQTXELYMHT-PZVLVSEZSA-N 391.537 2.730 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2CC[C@@H]1[C@](C)(CO)[C@H](O)CC[C@]13C 2356326052 UDOUCXFBZBBUEB-CHRBLHIJSA-N 378.509 2.577 0 1 GFAF COc1cc(NC=O)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 28237244 LDNSZAKIHVRKHG-OAHLLOKOSA-N 387.867 2.921 0 1 GFAF CN[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C1 29331764 JSLUSQSYDLPXHJ-ZDUSSCGKSA-N 399.397 2.765 0 1 GFAF COc1ccc(CCNC[C@@H](O)C(=O)Oc2cccc3ccccc23)cc1OC 25974291 ANQBCBHPVKDLLP-LJQANCHMSA-N 395.455 2.956 0 1 GFAF CCCNC(=O)c1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 61929621 CXNUXLMRIYLOCU-MRXNPFEDSA-N 383.448 2.769 0 3 GFAF CC=C(C)C(=O)O[C@H]1CN(C)CC[C@@H]1c1c(O)cc(O)c2c(=O)cc(C)oc12 2356566339 DSBBHVSUDLJUOE-GUYCJALGSA-N 387.432 2.810 0 1 GFAF CC[C@@H]1C(C(=O)OC)=C2Nc3cc(OC)ccc3[C@]23CCN2C(=O)C=C[C@@H]1[C@H]23 2356645813 GAFRJVYOKFJQKI-RUGRQLENSA-N 380.444 2.612 0 1 GFAF O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)cccc21 28526196 IWFWMNHBEFSLTE-UHFFFAOYSA-N 375.881 2.941 0 1 GFAF COC(=O)[C@H]1[C@@H](c2ccc(C)c(I)c2)C[C@@H]2CC[C@H]1N2 34472092 IHNILTTUADKTCG-MXYBEHONSA-N 385.245 2.997 0 1 GFAF CCOc1ccc2cc(-c3nn([C@@H](C)C(C)(C)CO)c(N)c3C(N)=O)cnc2c1 221798800 QETVBRLPQMGMBP-LBPRGKRZSA-N 397.479 2.758 0 1 GFAF Cc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl 142500438 CZYJPPYNWBXBIS-UHFFFAOYSA-N 380.901 2.761 0 1 GFAF CNC(=O)c1ccc(F)cc1[C@@H](C)Oc1nc(-c2cccnc2OC)cnc1N 98209651 AMLQLZSHSQNJKQ-LLVKDONJSA-N 397.410 2.768 0 1 GFAF in-vitro CC(=O)OC[C@@H](O)[C@]1(C)C=C2CC[C@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)CO)[C@@H]2CC1 238784638 KWIJYAKGYJADGK-CHKVQHFGSA-N 380.525 2.823 0 1 GFAF CCOc1ccc(-n2ncc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1 146978952 MSGGMDWYAYUCFB-HXUWFJFHSA-N 393.447 2.579 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(=O)c(C(=O)O)c[nH]c3c1)O2 587393898 BJWVXRDDDHWQLF-OAQYLSRUSA-N 378.384 2.998 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](CNC(=O)CCCC(=O)OCC)CC2=O 587470002 KESBBGDNHGIPGC-ZDUSSCGKSA-N 377.437 2.528 0 1 GFAF Cn1nnc(-c2nc3ccc(I)cc3[nH]2)c1C(F)F 587127855 AUKWYSOXHCOECQ-UHFFFAOYSA-N 375.120 2.901 0 1 GFAF COc1ccc2c(c1)[C@](CS(C)(=O)=O)(c1ccc(F)cc1)N[C@@H]1CC[C@@H]21 962998321 VBRFBVGIJRZUIL-SXLOBPIMSA-N 375.465 2.972 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 1772595791 XHFWQFUUEFWIKC-GOSISDBHSA-N 399.441 2.815 0 1 GFAF CN(C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)CCOc1ccccc1)CCO2 11786567 IWIALQYNNPQSIU-QHCPKHFHSA-N 398.503 2.646 0 1 GFAF CCn1c2ccccc2c2cc(NC(P(=O)(O)O)P(=O)(O)O)ccc21 13678560 FOIJEVZWWJSXFM-UHFFFAOYSA-N 384.265 2.865 0 1 GFAF CCCC[C@@H]1CCCO[C@@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C1 13829025 JIXFIOWXFQYZDW-WBVHZDCISA-N 380.451 2.743 0 1 GFAF CCOC(=O)[C@H]1C(C)=Nc2nc(SC)nn2[C@H]1c1ccc(C(=O)OC)cc1 169688406 WLUJAGFOOWEHAM-KBPBESRZSA-N 388.449 2.661 0 1 GFAF O=c1n(CCCCCCNC[C@@H]2CCc3ccccc3O2)c(O)c2n1CCC2 169725392 KFEOCDXIJZFQIE-SFHVURJKSA-N 385.508 2.845 0 1 GFAF COc1ccc(O[C@H](C)CN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 205637559 RBHDUKXJDDGJKI-QGZVFWFLSA-N 384.476 2.929 0 1 GFAF CCOCC(C)(C)[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356343690 UJFDLBWYYFZXDS-UKBAYJJMSA-N 382.497 2.734 0 1 GFAF O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205708 XSPGLZYRJJSRHE-HKUYNNGSSA-N 388.851 2.557 0 1 GFAF NC(=O)C1(c2cccc(Sc3ccc(-n4cnnc4)cc3)c2)CCOCC1 28477322 SCXCJYKCXBCAAQ-UHFFFAOYSA-N 380.473 2.952 0 1 GFAF CCOC(=O)N1CC[C@H]2c3c(nc(-c4ccc(OC)cc4)[nH]c3=O)S[C@H]2C1 28524495 WJLYNZTYNQMVLS-KGLIPLIRSA-N 387.461 2.866 0 1 GFAF N=C(N)c1ccc2c(ccn2CC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 28008807 HDQCEIKJAMGNIG-QFIPXVFZSA-N 390.487 2.898 0 1 GFAF CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H](O)[C@H]4C[C@@]23CC[C@@]4(O)CO)O1 2356669120 NHENUBLRIYVVBQ-XRSHJXDBSA-N 392.536 2.775 0 1 GFAF CNC(=O)c1ccc(N2CCC(Oc3ccccc3Br)CC2)nn1 28655350 RIVGOTVQHDPUGG-UHFFFAOYSA-N 391.269 2.647 0 1 GFAF COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccccc4Cl)C[C@@H]32)cc1 2356708742 AUTNEDLCPQCJMC-VQTJNVASSA-N 386.879 2.960 0 1 GFAF COc1cc(C[C@@H](C(=O)O)[C@H](CO)Cc2ccc(OC)c(OC)c2)ccc1O 13372342 WFRZWIDPAWVEAS-JKSUJKDBSA-N 390.432 2.513 0 1 GFAF biogenic CCCC[C@]1(CO)C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)[C@@H]1O 195150173 FUENFDZJVVFQJQ-GOIXLJFUSA-N 387.520 2.504 0 1 GFAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Br)c(O)c2[nH]1 586949912 GKQOMCOLQBTIPD-UHFFFAOYSA-N 396.266 2.993 0 1 GFAF COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398551 FHPMKLFLBIYDHY-NRFANRHFSA-N 383.400 2.579 0 1 GFAF O=C(O)Cc1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587960610 FNGOHLXMKYFBMN-UHFFFAOYSA-N 389.415 2.840 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12 587166729 HOLOLFARYDWELD-ZHACJKMWSA-N 388.424 2.604 0 1 GFAF O=C1COc2cc(Br)ccc2N1CCc1nc2cccc(O)c2[nH]1 587000935 ATAFKQIVPNXMIS-UHFFFAOYSA-N 388.221 2.999 0 1 GFAF Fc1cnc(Cl)c2[nH]c(-c3nccnc3I)nc12 587186770 STLXTAXHPNPUEC-UHFFFAOYSA-N 375.532 2.812 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CCC[C@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962693245 BBVZROAKEFWXFG-SSXBFIPSSA-N 390.524 2.857 0 1 GFAF O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)c(O)c2n1CCCC2 169714884 LOCLCEAWIAEMFK-UHFFFAOYSA-N 390.915 2.557 0 1 GFAF C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2nnc(-c3ccnn3C)s2)CC1 1857588738 BUIWQUHFOKEJCN-DZGCQCFKSA-N 388.541 2.850 0 1 GFAF Cc1cc(O)nc(-c2c(C)nn(CCC(=O)N3CCc4ccccc4C3)c2C)n1 1857617012 FOVMFFNMVBGMPX-UHFFFAOYSA-N 391.475 2.946 0 1 GFAF COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccccn2)C[C@@H]1C(C)C 2356319300 UOWRXUCVBJMAOH-CMKODMSKSA-N 387.524 2.705 0 1 GFAF Cc1nc(NC[C@H]2CCCO2)c2nnn(Cc3c(F)cccc3Cl)c2n1 1338271 MTFGPNSPPLEHTJ-LLVKDONJSA-N 376.823 2.961 0 3 GFAF Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)nc1 3814625 HIVJERZCQSOIRA-UHFFFAOYSA-N 382.367 2.909 0 1 GFAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC(=O)[C@H](C)[C@]21CC[C@](C)(CCO)O1 2356481079 CBDKPIJNECSIQI-BODCUSISSA-N 396.524 2.632 0 1 GFAF Cn1cc(CNc2nc(-n3ncc4ccccc43)nc(N)c2Br)cn1 217073619 SGKPBPSTVILYGB-UHFFFAOYSA-N 399.256 2.506 0 1 GFAF CN(C)C(=O)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72185341 AKRNGDZKEYHLKA-GOSISDBHSA-N 375.423 2.580 0 1 GFAF COc1cccc(-c2nc(C)c(C(=O)N(CC(=O)O)Cc3ccccn3)o2)c1 40410642 LAPVSBHRGKEZJO-UHFFFAOYSA-N 381.388 2.781 0 1 GFAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCNCC3)cc2F)cn1 224735265 HYCGJUHKXUTNNZ-UHFFFAOYSA-N 377.423 2.577 0 1 GFAF CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccc(O)cc4)nc3c21 40834139 WXATXTKVVHCYOA-UHFFFAOYSA-N 380.379 2.769 0 1 GFAF CCOCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 95565005 UJFDLBWYYFZXDS-UPXGNMAHSA-N 382.497 2.734 0 1 GFAF in-man CCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)C1CCCCC1)C2 95796704 PSCGPEDQCGKLHW-PMACEKPBSA-N 399.535 2.728 0 1 GFAF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](C)N(C)C)[nH]c3c2)cc1 587189730 DAGWFCXETQVUAX-ZDUSSCGKSA-N 388.493 2.865 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3cc(Br)ncc3[nH]2)CC1 586953188 QMDYBFQZWHELHC-UHFFFAOYSA-N 387.303 2.640 0 1 GFAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1 587784463 HJORLYUTQAITNR-CVEARBPZSA-N 399.472 2.757 0 1 GFAF NS(=O)(=O)Cc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 586930510 QUCVSWABNNQJRY-UHFFFAOYSA-N 384.230 2.920 0 1 GFAF CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963526258 NZOGDPAAXFGYKS-WSTZPKSXSA-N 383.444 2.763 0 1 GFAF Cc1ccncc1-n1cc(C(=O)N[C@H]2C[C@H]3COC[C@@H](C2)N3C)c2ccccc21 1772654282 MMXCIOJMFVOARD-NNZMDNLPSA-N 390.487 2.925 0 1 GFAF CC[C@@H]1C[C@@H]2N3CCc4c([nH]c5ccc(OC)cc45)[C@]2(C(=O)OC)C[C@@H]1[C@@H]3CO 5923455 AHWBYIVXFGPCHZ-RODUACKESA-N 398.503 2.625 0 1 GFAF CN(C)CCN(C)c1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1 169348290 GAXARIICIJOJOY-UHFFFAOYSA-N 388.479 2.662 0 1 GFAF COc1ccc2cccc(CCNC(=O)C3CN(C(=O)c4ccccn4)C3)c2c1 169351177 FBKJVMVMAOGABC-UHFFFAOYSA-N 389.455 2.674 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)N2CCOCC2)cc1 769562 GZTJVVUJMJKBOO-PZJWPPBQSA-N 379.460 2.703 0 1 GFAF O=C1[C@H]2C[C@@H](CN2C2CCOCC2)Oc2ccccc2N1Cc1cccnc1 2356302529 XSHCBNNWVLBFLI-AZUAARDMSA-N 379.460 2.629 0 1 GFAF COC[C@H]1CCCN1C(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@@H](C)O 2356303021 JTXSNVCNAZKOEW-TZMCWYRMSA-N 390.436 2.663 0 1 GFAF CC(C)Oc1ccc(CNC(=O)Cn2c(=O)c3cccn3c3cccnc32)cc1 6797330 BBTIBYCWGWOONW-UHFFFAOYSA-N 390.443 2.753 0 3 GFAF CCCCn1c(=O)c(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c(O)c2ccccc21 100743221 WGDQFZMBDVNRCW-HOTGVXAUSA-N 383.492 2.862 0 1 GFAF CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4CCN(C2=O)[C@H]13 100268659 LTQINICYLGNLHN-OPCGPOPDSA-N 382.460 2.790 0 1 GFAF CC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3ccccc3F)cc21 28963336 RJAIMJCQMNQHHR-UHFFFAOYSA-N 376.413 2.596 0 1 GFAF CN([C@@H]1c2cc(OCc3ccccc3)ccc2OC(C)(C)[C@@H]1O)S(C)(=O)=O 27215067 WHSNUPSZOQRQAB-RTBURBONSA-N 391.489 2.730 0 1 GFAF COC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)n1 28902248 WAJPPCPVOSTBOR-MRVPVSSYSA-N 384.417 2.510 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1[C@H](O)C2=CC[C@@H]1[C@@](C)(CO)CCC[C@]13C 2356739312 QFBYYXGJRJFYQU-XKHKULPUSA-N 378.509 2.577 0 1 GFAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)O)C2=O 34804615 CLVFBWMMCGAYBI-UHFFFAOYSA-N 380.231 2.863 0 1 GFAF Cn1c(=O)c2cc3n(c2n(C)c1=O)C[C@@H]1[C@H]3Nc2ccc(Cl)cc2C1(C)C 40867021 XDYWGVGVBQOVME-CZUORRHYSA-N 384.867 2.766 0 1 GFAF O[C@@](CNCc1ccccn1)(Cn1cncn1)c1ccc(Cl)cc1Cl 40391687 AIZSRLBTNCBHQX-KRWDZBQOSA-N 378.263 2.658 0 1 GFAF COc1ccccc1N1CCN(CCCN2CCc3ccccc3C2=O)CC1 40916276 IQUDVNRUWJNIMA-UHFFFAOYSA-N 379.504 2.906 0 1 GFAF CN(CC(=O)N1CCOCC1)C[C@H](O)c1c(-c2ccccc2)[nH]c2ccccc12 473155149 PLHGVPZUBUWRMO-FQEVSTJZSA-N 393.487 2.659 0 1 GFAF Cc1nc2cnc(Nc3ccnc(OCC(C)(C)C(N)=O)n3)cc2n1C(C)C 653758637 ISEOHVYXZDFSGA-UHFFFAOYSA-N 383.456 2.745 0 1 GFAF N[C@@H](CP(=O)(O)O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586923341 RSWKZRQVKPBRLW-LURJTMIESA-N 388.080 2.522 0 1 GFAF N=c1nc(O)c2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2[nH]1 586961267 TYJBVBZXLPFMRA-HHHXNRCGSA-N 379.445 2.509 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(O)c2[nH]1 586946803 SQVGLRINLBZEJP-ZDUSSCGKSA-N 387.461 2.701 0 1 GFAF CC(=O)OC[C@@]1(c2ccc(Cl)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962923123 MJNGLWKXEPOXEJ-NRFANRHFSA-N 386.879 2.994 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962693078 CEGXOZNSJDGGJY-APPDUMDISA-N 391.468 2.884 0 1 GFAF CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2C2COC2)C1 1772590047 IKUNJTRUFVIYTB-UHFFFAOYSA-N 392.463 2.503 0 1 GFAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCn2ncnc2[C@H]1CN1CCCC1 13907286 GEMQOTQZNVHANG-MRXNPFEDSA-N 394.306 2.807 0 1 GFAF Cn1cc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc3c(c2)OCO3)cn1 205234181 PKLVCMDGSGWWQB-UHFFFAOYSA-N 377.400 2.879 0 3 GFAF Cn1c(=O)c2c(SCc3cccc(F)c3)nc(-c3ccco3)nc2n(C)c1=O 4139161 QTNSBIGJSHSOTC-UHFFFAOYSA-N 398.419 2.719 0 1 GFAF CC[C@@H](C)[C@@H](CO)NCCCn1cnc2c(OCc3ccccc3)ncnc21 61922693 XZUNGFMLGIECCM-SJLPKXTDSA-N 383.496 2.792 0 3 GFAF Cc1cccc(OCC2(CNCc3cn(C)c4ccccc34)C[C@H](O)[C@@H](O)C2)n1 2356298517 IRCSPLGDPURNIO-SFTDATJTSA-N 395.503 2.552 0 1 GFAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOCC4)ncc32)cc1 28883613 XTZKOGDXCXHQKA-QFIPXVFZSA-N 397.519 2.769 0 1 GFAF O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)c2cccs2)on1 61904587 SMTFUJZLNNSURQ-MRXNPFEDSA-N 397.456 2.880 0 3 GFAF CO[C@@H]1OC(=O)[C@H](c2ccc(O)cc2)[C@H]1Cc1ccc2c(c1)C[C@H](C(C)(C)O)O2 2356713261 CQGQUEUOOGWKAW-JWUVWSEFSA-N 398.455 2.938 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 38424792 MVELEQDHPIOVCZ-XUVXKRRUSA-N 383.536 2.926 0 1 GFAF COc1cc(C[C@H]2[C@H]([C@@H](O)c3ccc(O)c(OC)c3)CO[C@H]2OC)ccc1O 15161228 WZOCBGLXULOIIY-XSRQCEPYSA-N 390.432 2.626 0 1 GFAF biogenic COCn1ncc(OC)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c1=O 84671430 SOFLHSZGYGTBLR-MRXNPFEDSA-N 387.480 2.776 0 1 GFAF CN(C)c1n[nH]c2c1[C@@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 49071857 QNYADJHHTWVLEV-DOMZBBRYSA-N 380.901 2.970 0 1 GFAF Cc1ccc(N2CCN(CC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)cc1 473169240 MQXULFFQOZPQLI-UHFFFAOYSA-N 392.547 2.774 0 1 GFAF COC(=O)C1CN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)C1 587438423 PATNGNGLFAJVDK-DYESRHJHSA-N 379.412 2.793 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1CC(=O)O)[C@@H](C2)C3=O 587445064 WFQZTQFXLMLMBJ-QKKBWIMNSA-N 384.384 2.828 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)C2CCOCC2)N1 587756935 SKIDXDOKNSXLLI-IINYFYTJSA-N 385.277 2.706 0 1 GFAF C=CN1CC[C@H]([C@@]2(c3cnccn3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475229 NJADLKYEGOHHKA-KSFYIVLOSA-N 393.443 2.987 0 1 GFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 586938395 JEGUHZMPPGLHIW-JTQLQIEISA-N 385.449 2.889 0 1 GFAF COCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587409373 LRCCNOYXBGTXCC-SFHVURJKSA-N 375.446 2.704 0 1 GFAF COC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496654 XWKQYSFFCKQMDI-SUWCGCSTSA-N 396.418 2.516 0 1 GFAF Cc1c(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)cnn1-c1nc(O)c2sccc2n1 1857586121 GTKGNRUSIPYYQV-WFASDCNBSA-N 399.476 2.532 0 1 GFAF Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)nc2cn1 146666709 DNBLCQAFEIWBBL-UHFFFAOYSA-N 375.432 2.563 0 1 GFAF CN(C)c1ccc(C(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCCCC2)cc1 2356286133 UGMVELZZZGAVCE-KCZVDYSFSA-N 384.568 2.679 0 1 GFAF Cn1c(CO[C@@H]2CN(C(=O)COc3ccccc3)C[C@@H]2F)nc2ccccc21 2356299043 SWWJOXFQZAJJHU-QFBILLFUSA-N 383.423 2.718 0 1 GFAF O=c1[nH]c(-c2ccc(O)cc2O)nc2ccc([127I])cc12 101070363 YLINVTWHWIOHEH-SOBICPSLSA-N 380.141 2.606 0 1 GFAF CNC(=O)c1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2n1 29047764 WXVGJQWDAAQLMC-UHFFFAOYSA-N 395.096 2.584 0 1 GFAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1cc2ccccc2n2nnnc12 26391477 CDAHPWCUCQMJNC-VXNZKSKFSA-N 393.403 2.699 0 1 GFAF CCC(=O)O[C@@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@H]1OC(=O)CC)[C@H]23)OCO5 2356594648 FHZQSULZQZRVBO-MNAPGUCWSA-N 399.443 2.670 0 1 GFAF O=C(c1ccon1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 64559829 XXNYHJSXWIIHAO-UHFFFAOYSA-N 375.856 2.835 0 1 GFAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccccc2F)[C@H]1NC(C)=O 213841837 GQXORHHJNMOULU-XUVXKRRUSA-N 392.471 2.777 0 1 GFAF Cc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 33815244 LBIDHBYCTAZWKZ-YVEFUNNKSA-N 385.439 2.670 0 1 GFAF in-vitro [O-][n+]1nc2c(I)cnn2c2cc(-c3cccs3)ccc21 71295947 ZSWRENONBAUWOO-UHFFFAOYSA-N 394.197 2.849 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2cccs2)CC1)c1cccc(C(F)(F)F)c1 199719670 DNSDXWBJWADPFK-UHFFFAOYSA-N 396.390 2.934 0 3 GFAF Cc1cnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)[nH]1 221756552 SAPYQIIAMNOGHR-UHFFFAOYSA-N 389.419 2.922 0 1 GFAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccnc3)cc21 95562407 KCMWAPOMUSTVQY-MRXNPFEDSA-N 382.416 2.911 0 1 GFAF COc1cc2ccncc2cc1OC(=O)CCN1C(=O)NC(=O)[C@@H]2CCCC[C@H]21 618016143 STBJOJXXQQBKHS-HZPDHXFCSA-N 397.431 2.650 0 1 GFAF O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)C1CC1 653664366 MXBLYRATERLGDV-CYBMUJFWSA-N 380.477 2.876 0 1 GFAF Oc1nc(O)c2nc(/C=C\c3cccc(I)c3)[nH]c2n1 587183613 FMTBKEZHDNHEPV-PLNGDYQASA-N 380.145 2.539 0 1 GFAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc2nncn2n1 587658771 UENBPJRWOCBXMU-UHFFFAOYSA-N 376.326 2.769 0 1 GFAF Nc1cccc(C(=O)O)c1-c1nc2cc(I)cnc2[nH]1 587248105 CYRWRBKMWPRJPQ-UHFFFAOYSA-N 380.145 2.510 0 1 GFAF COc1ccccc1CC(=O)c1nc2ncc(I)cc2[nH]1 587932207 VPVPLPSMNFPDJA-UHFFFAOYSA-N 393.184 2.997 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)ncnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238885 HFEAPGITUIYBNM-DKHZXNSXSA-N 389.456 2.614 0 1 GFAF Cc1c(O)ccc2c1[C@H](c1ccccc1N1CCO[C@H](C)C1)N[C@H](C(=O)O)C2 963490644 LJSHHTLUVIGZAB-JRQSSSKMSA-N 382.460 2.614 0 1 GFAF COC(=O)c1cc(OC)cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963234670 VEKJSTASYQUFSM-PMACEKPBSA-N 392.411 2.718 0 1 GFAF Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(Br)cc1 1772635006 IRDCNBGZRDOIIL-UHFFFAOYSA-N 388.269 2.782 0 1 GFAF CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(=O)oc2ccc(Cl)cc12 1772625888 FKNRFYNPFPZEEH-HNNXBMFYSA-N 378.837 2.802 0 1 GFAF O=C(Cc1ccsc1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 11703002 LAZFWUHJTREWGJ-SFHVURJKSA-N 392.546 2.649 0 1 GFAF COc1cc(CNC2CCOCC2)ccc1OC[C@H](O)CN1CCCCCC1 12298952 PSQASSZMMQYHQK-HXUWFJFHSA-N 392.540 2.580 0 1 GFAF Cc1c(CC(N)=O)c2ccc(OCCCC(N)=O)cc2n1Cc1ccccc1 13446097 RPGUJJZQWFEIRF-UHFFFAOYSA-N 379.460 2.670 0 1 GFAF COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2)CC1 13761095 NILZUNSWBMWMBN-UHFFFAOYSA-N 389.883 2.910 0 1 GFAF CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21 150030505 HJWSOSQLQQNWPN-UHFFFAOYSA-N 397.435 2.967 0 1 GFAF Cc1ccc(-c2cc(C(=O)N[C@@H](Cn3ccnc3)C(=O)OC(C)C)no2)cc1 1857751142 KQUBAMOWANFUML-KRWDZBQOSA-N 382.420 2.597 0 1 GFAF NS(=O)(=O)c1ccc(Sc2nnc(NC(=O)c3ccccc3)s2)cc1 103274367 ZZAYEGHHWXIEQL-UHFFFAOYSA-N 392.487 2.589 0 1 GFAF CCC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 64553818 CFQOEMCBCQUDPC-UHFFFAOYSA-N 379.451 2.625 0 1 GFAF CC[C@H]1C(=O)OCc2c1c(C(=O)OC)c1n(c2=O)C[C@H]2Cc3ccccc3C[C@@H]12 27420662 ZBPGREPSDSAIEH-BZUAXINKSA-N 393.439 2.698 0 1 GFAF CCOC(=O)C1=c2cc(Br)sc2=C(C)O[P@]1(=O)OCC 64437237 ACHOPHIFDCGHQS-LJQANCHMSA-N 381.184 2.570 0 1 GFAF NCCC(=O)Nc1ccc2c(cnn2S(=O)(=O)c2cccc3ccccc23)c1 40410485 GHBONLWSLKVFES-UHFFFAOYSA-N 394.456 2.714 0 1 GFAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CC3)n2)cc1C(F)F 148079667 ZHZCDOIEYIKDTM-HWWDLCQESA-N 387.434 2.844 0 1 GFAF O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 95893524 UUOOIEDXIALFME-AQNXPRMDSA-N 395.434 2.943 0 1 GFAF CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CC1)C(=O)c1ccccn1 95895647 YIACDIBXRYVPNT-BHIFYINESA-N 379.504 2.783 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 586953721 YNMWOQPYRWDRNN-UHFFFAOYSA-N 376.404 2.896 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3CCCS3(=O)=O)c1)O2 587410462 NDFZDMYMEDNELK-FQEVSTJZSA-N 386.473 2.998 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587833947 JCXSJBLWAWBLAF-MOCULFSLSA-N 386.261 2.917 0 1 GFAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc5ncccc5c4[nH]3)c2N)C1 586955692 SGHMDBKRQQPUNU-UHFFFAOYSA-N 393.472 2.678 0 1 GFAF CC(=O)OCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587579204 CLRWCLWSBUOOHN-RXVVDRJESA-N 394.383 2.855 0 1 GFAF CC(=O)c1ccc2c(c1)[C@](C)([C@@H](C)CO)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962622631 CSVCZJKGTFCELN-LJOBPSPCSA-N 391.464 2.979 0 1 GFAF C[C@@H](NC(=O)[C@@H]1C(=O)N(CCO)[C@@]2(C)C[C@@H]1c1ccccc1O2)c1ccccc1 13147447 MFKFSVAFSUHGOG-MEIRVAJKSA-N 394.471 2.597 0 1 GFAF CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H](c1[nH]c3ccccc3c1N=O)C(=O)N2 169692419 DLAKBAJGGWBFMB-HNNXBMFYSA-N 384.417 2.900 0 1 GFAF CN=c1[nH]c2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]1[C@@H]2C 2356317962 FXBYIZYYANCMKC-YVEHJDAKSA-N 377.554 2.574 0 1 GFAF CCCCN(C)C(=O)c1sc2ncn(CC(=O)N(CC)CC)c(=O)c2c1C 2477393 XVCMJQLEOXAPDJ-UHFFFAOYSA-N 392.525 2.507 0 1 GFAF C[C@@H](NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1)c1ccccc1 3045960 LELLYPYQJLNWHJ-QGZVFWFLSA-N 393.553 2.697 0 3 GFAF C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 102422869 QYFXCDCMMOGUKW-IXYNUQLISA-N 392.883 2.554 0 1 GFAF O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccccc1 29413154 YBHQBXDKERJNHI-SFHVURJKSA-N 396.443 2.724 0 1 GFAF CN(Cc1nc2ccccc2n1CCCNC(=N)N)[C@H]1CCCc2cccnc21 38225123 XVBHJNYVOUOSQU-IBGZPJMESA-N 391.523 2.814 0 1 GFAF COc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)O[C@@H](C(C)(C)O)C2 33832262 GAUFLNQQCSXBPK-GOSISDBHSA-N 384.384 2.954 0 1 GFAF endogenous,in-man Cc1ncc([C@H](CNC(=O)c2cccc(F)c2Cl)N2CCCOCC2)cn1 217086742 CJIGDZQDCYHUNP-KRWDZBQOSA-N 392.862 2.771 0 1 GFAF CNc1nc(N2CCC[C@H]2C(=O)OC(C)(C)C)nc2cc(OC)c(OC)cc12 82131214 QUOVLEUWNQTNKO-AWEZNQCLSA-N 388.468 2.999 0 1 GFAF COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95873667 BMAVFVJRZCOPFO-ZDXQCDESSA-N 394.515 2.751 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@H]3C[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 254201044 SSEWIUPYEWEJEH-GAGJQVBHSA-N 380.525 2.657 0 1 GFAF CN1Cn2c3ccc(O)c(Br)c3c3ccnc(c32)[C@@H]1C[S@](C)=O 34492172 FKKGARBPUIRMFS-BSNNYGBQSA-N 394.294 2.980 0 1 GFAF biogenic O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2cccc(Br)c2)C1 587365797 HIJDKLOPQHDIDG-LLVKDONJSA-N 386.205 2.846 0 1 GFAF COC(=O)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347978 VXOIZZHZXHSIKA-HXUWFJFHSA-N 399.418 2.898 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@@H](F)C(=O)OCC)CC2=O 587464107 INQCAYSLDGEATI-QFBILLFUSA-N 382.384 2.513 0 1 GFAF Nc1cccc(C(=O)O)c1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587248260 KHGYURUKFFENNL-UHFFFAOYSA-N 376.166 2.971 0 1 GFAF CCn1nc(C)c([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1 962925079 XXDAVUSWTUPDCU-AZUAARDMSA-N 394.431 2.793 0 1 GFAF [C-]#[N+]c1ccc(Oc2ccc(-c3nc(C(N)=O)cc([C@@H](O)CO)n3)cc2)cc1 1772588409 NRTWRTFPDOWKKG-SFHVURJKSA-N 376.372 2.611 0 1 GFAF CN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 13580072 QFXIUFRNBCMKGP-AWEZNQCLSA-N 393.212 2.695 0 1 GFAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]12C[C@@H]1[C@@H](N=O)c1ccccc1O2 169716583 MZNKZHJGVLNPEC-RDBAUFEQSA-N 380.400 2.546 0 1 GFAF Cn1cc(-c2cnc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1 200857216 ACOJXRCLGVKBMW-UHFFFAOYSA-N 378.346 2.608 0 1 GFAF COCCNC(=O)c1csc(N2CCN(Cc3ccc(Cl)cc3)C2=O)n1 205207865 RWNYSTXIWQVPEO-UHFFFAOYSA-N 394.884 2.615 0 3 GFAF O=c1oc2ccccc2nc1CS(=O)(=O)c1ccc(Br)cc1 842075 SADHSHGDFHTEPO-UHFFFAOYSA-N 380.219 2.924 0 1 GFAF Cc1csc(N(C)CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)n1 1482440 IIURXSYBFCGYCL-AWEZNQCLSA-N 377.491 2.861 0 1 GFAF N[C@@H](CC(=O)N1CCc2[nH]c(C(F)(F)F)nc2C1)Cc1cc(F)ccc1F 28956643 AEYSTYZWRSZGKX-LLVKDONJSA-N 388.340 2.552 0 1 GFAF O=c1nc2oc(CCCCCCCCCF)cc2cn1[C@H]1C[C@H](O)[C@@H](CO)O1 28225599 BDHNAZQUWYSHJE-RCCFBDPRSA-N 396.459 2.873 0 1 GFAF N[C@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 27518681 BMDFHHHSXXLDPW-VIFPVBQESA-N 379.819 2.755 0 1 GFAF c1ccc(CCCN[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2cc(-c3ccccc3)nn2)cc1 2356872144 YPIOVOQBBKDBPU-ODAXIHTASA-N 390.487 2.875 0 1 GFAF O=c1n(-c2ccccc2F)nc2c3cc(Br)ccc3nc(O)n12 66252336 XFOBMEHREHTWNO-UHFFFAOYSA-N 375.157 2.641 0 1 GFAF O=C(Nc1nc2cc(Cl)ccc2[nH]1)c1ccc2cc3n(c2n1)CCCNC3=O 147133027 ULXCPSCTMQCILD-UHFFFAOYSA-N 394.822 2.952 0 1 GFAF C=C1[C@H]2C[C@H](C[C@H]1OC(=O)C(C)(C)[C@H](C)O)[C@]21CO[C@]2(C[C@H](C)C(=O)O2)C1 257796286 ZRQVIGLTTXPLCI-JTYLPTLJSA-N 378.465 2.587 0 1 GFAF CCO[P@@](=O)(Cc1ccc(=N)[nH]c1)Oc1ccc2c(c1)C(=O)N(C)C2=O 473108492 MDDYOPOGRKDHII-SANMLTNESA-N 375.321 2.529 0 1 GFAF COC(=O)[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807190 LKBAOZHUPRJJMH-VVVCHXIZSA-N 384.245 2.860 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cccnc1)CC2=O 587489397 LXAKNCCVZBUOMP-OAQYLSRUSA-N 383.400 2.733 0 1 GFAF O=C(O)c1cccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586955943 WQRMZOXXEKXKSM-UHFFFAOYSA-N 391.836 2.976 0 1 GFAF CN1CCN(c2ccc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c3c2)CC1 587170996 HQYZXMJRUVRIRO-UHFFFAOYSA-N 382.439 2.911 0 1 GFAF c1cc(OCCCN2CCOCC2)cc([C@H]2NCCc3nc4ccccn4c32)c1 962987459 MEQBFSMASGSEHQ-JOCHJYFZSA-N 392.503 2.671 0 1 GFAF Cc1c(F)ccc2c1[C@@]1(NCC2)C(=O)N(n2c(C)nnc2C)C2=CCCC[C@H]21 962374521 KZOYESXOANCKEH-IIBYNOLFSA-N 381.455 2.546 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962693084 CEGXOZNSJDGGJY-GTNSWQLSSA-N 391.468 2.884 0 1 GFAF CCOc1n[nH]c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12 1772589530 VDRMWPDDONONGM-UHFFFAOYSA-N 388.236 2.859 0 1 GFAF CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=S)N1CCCC1 5716252 CSAAUMYWSFRJKT-RBUKOAKNSA-N 389.565 2.688 0 1 GFAF COc1ccc(-n2ccnc2CN2CCC(n3nccc3NC(C)=O)CC2)cc1 12305429 KUIVBBWITAPISQ-UHFFFAOYSA-N 394.479 2.873 0 1 GFAF c1ccc2sc(N[C@H]3C[C@H](Oc4nccnc4N4CCOCC4)C3)nc2c1 146912558 GUICZVZPVDYMRZ-OKILXGFUSA-N 383.477 2.945 0 1 GFAF COc1cccc(CC(=O)N2C[C@H](OC)C[C@H]2C(=O)NCC2CCCCC2)c1 1857613787 WANCHMWYVXJMOI-UXHICEINSA-N 388.508 2.550 0 1 GFAF Cn1cnc(S(=O)(=O)N2C[C@@H](Nc3ccccc3)[C@H](c3ccccc3)C2)c1 225853630 FRPYSHYFXSVLBY-RBUKOAKNSA-N 382.489 2.689 0 1 GFAF C[C@]1(CCCCC(=O)O)c2ccccc2-c2[nH]c(=O)c3nc(C(=O)O)cn3c21 28224189 QZARVXGDUOQXJD-FQEVSTJZSA-N 381.388 2.652 0 1 GFAF COC(=O)C=Cc1cc(OC)c2c(c1)[C@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356563451 DPDJZJNYBSGDHT-YWZLYKJASA-N 386.400 2.805 0 1 GFAF COc1cc(O)c2c(c1OC)C=CCCC(=O)[C@H](O)CCC[C@H](C)OC2=O 2356581735 IXWZTCKQQIAFGC-SWLSCSKDSA-N 378.421 2.862 0 1 GFAF NC(=O)c1cn(-c2ccc(O)cc2F)c2cc(-c3ccncc3)ccc2c1=O 27307925 RWDAGSGQOVTILW-UHFFFAOYSA-N 375.359 2.996 0 1 GFAF COc1cc(C)c2c(c1C=O)Oc1c(C=O)c(C(=O)O)c(O)c(C)c1OC2=O 14694938 LRRJGRUEHSZJRI-UHFFFAOYSA-N 386.312 2.666 0 1 GFAF biogenic CCOC(=O)CN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@H]1C 195485246 FUPAQXIAYSURIA-UHNFBRDESA-N 386.370 2.929 0 1 GFAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(F)cc1)CC3 82196244 IUZQVXBATFZJQO-UHFFFAOYSA-N 392.390 2.859 0 1 GFAF COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@]32O)ccc1O 85911083 JDOYVXXEQQTICM-DJJZHVJBSA-N 388.416 2.608 0 1 GFAF in-man Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(C)c3ccccc31)C1=C(CC(C)(C)OC1=O)O2 199741649 NLQUTSOQHZBJRN-JOCHJYFZSA-N 393.395 2.583 0 3 GFAF CS(=O)(=O)c1ccc(-c2cccn3nc(NCc4cccnc4)nc23)cc1 96169908 IVNOKEPUPKELRZ-UHFFFAOYSA-N 379.445 2.807 0 1 GFAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](OCC(F)(F)F)CC1 299847431 JLXRCUNAZLLGTO-CYBMUJFWSA-N 392.765 2.997 0 1 GFAF C/C(=C\c1noc(Cn2cnc3ncn(C)c3c2=O)n1)c1ccc(Cl)cc1 653727809 ILSIWKXOFBZDGE-YRNVUSSQSA-N 382.811 2.775 0 1 GFAF CCc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c2c1 586938876 ZBEGINSVQDZORZ-SGTLLEGYSA-N 389.477 2.534 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5nc(O)[nH]c5cc4[nH]3)cc12 587038832 SZOPHBCUHMEHBC-QMMMGPOBSA-N 395.448 2.892 0 1 GFAF CCOc1ccccc1[C@@](N)(c1nc2ccc(C(=O)OC)nc2[nH]1)C(F)(F)F 587092844 NWQMZKGAUQBIIG-QGZVFWFLSA-N 394.353 2.908 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)[C@@H](C2)C3=O 587426711 ATUXHNAYMQGNCQ-RDXCRGQUSA-N 391.420 2.569 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CN[C@H](C(=O)O)[C@H]32)N1 587797388 SHGBAPUXOWTSAG-WZAQJLCTSA-N 397.288 2.790 0 1 GFAF Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cnc3ccccc3c1)C2 14740465 HFPHHIWZGOWSSW-SFHVURJKSA-N 389.503 2.851 0 1 GFAF Cn1cc([C@H]2NC(=O)N[C@@H](c3ccc(C(=O)O)c(O)c3)[C@@H]2c2ccsc2)cn1 169688234 KQQKKFDAXNYXTL-YESZJQIVSA-N 398.444 2.764 0 1 GFAF COCCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1 6549793 QDYUBUUQWTZCKB-UHFFFAOYSA-N 389.525 2.918 0 3 GFAF CCOC(=O)C1=C2c3ccccc3[C@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@@H]23 29334895 RFOSKYASXJOWGG-APWZRJJASA-N 375.472 2.830 0 1 GFAF C[C@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)s1)CO 26251359 NXHPCPQJABQEDR-KHGFPJFYSA-N 393.505 2.905 0 1 GFAF NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(F)c1 27737136 ABBAEWHQQIOXTG-UHFFFAOYSA-N 382.800 2.845 0 1 GFAF CCOc1cccc2cc(S(=O)(=O)Nc3ccc(F)c(N)c3)c(=O)oc12 28362037 XQKNYSYYIGQBKD-UHFFFAOYSA-N 378.381 2.714 0 1 GFAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccc(CO)c3)sc12 64559004 YNQHLQYVIDIBNI-AWEZNQCLSA-N 382.489 2.718 0 1 GFAF COc1ccc(/C=C2\C[C@@](CO)(COC(=O)c3ccc(OC)cc3)OC2=O)cc1 40392647 PQLKHTRGIRKEMK-JRVGGCGHSA-N 398.411 2.622 0 1 GFAF CC(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CCOC3=O)[C@H]1CCC[C@]21CO1 238731967 SIJQPXCMIWQXTD-FYHNCAPNSA-N 392.492 2.775 0 1 GFAF COc1cc(/C=C(/C(=O)O)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 95592209 CMBOVOIPWJGMDQ-OQLLNIDSSA-N 392.429 2.741 0 1 GFAF CN1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(CC(F)(F)F)C1=O 95565235 XYVMSTBBELKYSA-NSHDSACASA-N 384.185 2.908 0 1 GFAF N=c1[nH]c2nc(C[C@H](N)c3ccc(Br)cc3F)nc-2c(Cl)[nH]1 587143159 YPTRIYWNLZJFEW-QMMMGPOBSA-N 385.628 2.515 0 1 GFAF CC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(OCC(=O)O)=CO1 587617504 PXRSAMYIIUXFIX-RXVVDRJESA-N 396.351 2.969 0 1 GFAF CCOC(=O)COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)OCO2 587407860 JJVQEHVKNDDVLM-KRWDZBQOSA-N 399.399 2.954 0 1 GFAF CC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587830460 FHIQTDFARZQEGK-LCUABVJFSA-N 382.229 2.984 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cnc2[nH]1 586951447 OHMNLHXJSNWOGV-UHFFFAOYSA-N 388.272 2.524 0 1 GFAF COC(=O)[C@H]1O[C@H]2O[C@@H]1C(=S)N(Cc1ccccc1)[C@@H]2Cc1ccccc1 1772641906 HGVYFGCVHYTRII-OEMYIYORSA-N 383.469 2.724 0 1 GFAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CNCC2 168698587 SXWOYRGICAISET-UHFFFAOYSA-N 386.455 2.949 0 1 GFAF Cc1ncc(-c2ccn3ncc(-c4cccc(CN5CCOCC5)c4)c3n2)cn1 1857552527 IMCWGJKPUBGRID-UHFFFAOYSA-N 386.459 2.994 0 1 GFAF CCOC(=O)N1CCC(NC2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)CC1 7004940 AJYCEAIAAIONGB-UHFFFAOYSA-N 395.456 2.509 0 1 GFAF COCCn1ccc2nc(C)c(C(=O)Nc3cc(C)ccc3OC)cc2c1=O 21538710 UKNSCBHDYAWXOV-UHFFFAOYSA-N 381.432 2.921 0 1 GFAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](N3CCCC3)C(=O)N21 26945342 VRMCCYJEFQGWSV-HBFSDRIKSA-N 380.492 2.560 0 1 GFAF COc1c2c(cc3c1-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC3)OCO2 1584324 DCYAJVOKJAFSES-HNNXBMFYSA-N 383.400 2.583 0 1 GFAF biogenic O=S(=O)(c1ccc(Cl)cc1Cl)n1nnnc1-c1ccc2c(c1)OCO2 73390370 ZSJYIDLUVDWGOL-UHFFFAOYSA-N 399.215 2.613 0 1 GFAF CN1C(=O)[C@@](c2cccc(-c3cncnc3)c2)(c2csc(Cl)c2)N=C1N 72183502 ABAOMGTVATUZIR-GOSISDBHSA-N 383.864 2.889 0 1 GFAF COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N3CCCN=C32)cc1 34635822 LSPPQVUEXNMTCS-HSZRJFAPSA-N 398.470 2.828 0 1 GFAF COc1cc2c(c(OC)c1O)[C@@H](CO)[C@H](c1cc(OC)c(OC)c(OC)c1)O2 13480640 INACKEYIIKMUED-ZMZPIMSZSA-N 392.404 2.645 0 1 GFAF biogenic O=C(CNC(=O)c1csc(Nc2ccccc2)n1)OCCc1ccccn1 82085006 OBOPIPZJNYTIGK-UHFFFAOYSA-N 382.445 2.797 0 1 GFAF O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F 95893508 DYVLAKDHBIPRBF-PWRODBHTSA-N 394.446 2.942 0 3 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CNC(C)=O 95894809 QIJQIIIFPLFXFT-ONTIZHBOSA-N 384.451 2.694 0 1 GFAF O=C(/C=C/CCCC[C@@H](O)[C@H](O)c1ccc2c(c1)OCO2)N1CCCCC1 95601919 UEJKTNXAIXCFSD-RLPYETMNSA-N 375.465 2.939 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1[C@H](C(=O)O)NC[C@@H]31 586990054 UPTOOBHRKLZMNH-AMNFHVAFSA-N 386.407 2.854 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1CC(=O)O)[C@@H](C2)C3=O 587445063 WFQZTQFXLMLMBJ-LHSJRXKWSA-N 384.384 2.828 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587094025 ZRKGPDMDELGJFS-UHFFFAOYSA-N 388.396 2.927 0 1 GFAF O=S(=O)(O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587008330 SXOIDUFRYVFXLJ-UHFFFAOYSA-N 393.222 2.887 0 1 GFAF COc1cccc2cc3c(nc12)[C@@](C)(c1cc(S(N)(=O)=O)ccc1C)NCC3 963064292 GVFBBENYVXYROW-OAQYLSRUSA-N 397.500 2.608 0 1 GFAF CC[C@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F 1772596351 YSEXQQPBCUWIIL-ZDUSSCGKSA-N 378.835 2.603 0 1 GFAF O=C(O)CSC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccccc1 1772583158 PHMKMJLEKMJONA-SFHVURJKSA-N 396.468 2.782 0 1 GFAF COc1cccc(N2C(=O)CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@H]2C)c1 12151432 UHOYMTMBYWIMGL-CYBMUJFWSA-N 398.850 2.874 0 1 GFAF O=C(c1nc2ccccc2[nH]1)N1CC(Oc2ncccc2[C@H]2CC[C@@H](O)CC2)C1 100620157 QTHUPAWFDLKDHX-SHTZXODSSA-N 392.459 2.880 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2cn(cn2)CC=CCOc2ccc(Cl)c1c2Cl 1857626687 TUEFPOMKBBGSEI-LBPRGKRZSA-N 396.230 2.564 0 1 GFAF CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 2487107 JYBOGWYNEFQXTQ-MRXNPFEDSA-N 393.553 2.833 0 1 GFAF O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4050440 RDIBBJLLUXLRHD-AZUAARDMSA-N 397.500 2.969 0 1 GFAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2[nH]ncc2n1 113252927 IIABNABCCIQLDJ-UHFFFAOYSA-N 392.440 2.721 0 1 GFAF O=C(O)c1ccccc1NC(=O)N1CCN(c2cnc3ccccc3n2)CC1 28969569 DNXFJEMWCGCAHD-UHFFFAOYSA-N 377.404 2.682 0 1 GFAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccsc2)O1 28974845 NEHJYAUOFHQEHN-UOXLDJKESA-N 395.381 2.815 0 1 GFAF COc1cc(C=C(C(=O)O)C(=Cc2ccc(O)c(OC)c2)C(=O)O)ccc1O 2356472327 SPKZMOSDXTYXLK-UHFFFAOYSA-N 386.356 2.751 0 1 GFAF COc1cc(/C=C2\NC(=O)c3c2ccc2c3OCO2)c(CCN(C)C)cc1OC 35901156 HAJRBXQNVTZIIF-SXGWCWSVSA-N 396.443 2.778 0 1 GFAF O=C(NCc1ccc2c(c1)OCO2)c1cnc(N2CCCC2)nc1-c1ccco1 82142541 GECBWRMRAFYYNG-UHFFFAOYSA-N 392.415 2.996 0 1 GFAF O=C(c1cccnc1)N1CCc2nc(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2C1 84587843 UDWJTQCHBDTSFN-UHFFFAOYSA-N 389.390 2.651 0 1 GFAF CC1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)CC1 82152578 TXPOQCRAUSGOLS-UHFFFAOYSA-N 384.455 2.991 0 1 GFAF COC[C@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 45315244 NYCAJGBSVDYKKD-PLQHRBFRSA-N 381.885 2.776 0 1 GFAF O=C(Cc1ccc2c(c1)OCO2)Nc1cccc(OCCCN2CCOCC2)c1 43016894 QIAFBTIJFNZMQI-UHFFFAOYSA-N 398.459 2.698 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccnc(N(C)CC4CC4)n3)C2)cc1 142318722 ZVZUHVSMGXAHKV-HNNXBMFYSA-N 395.507 2.788 0 1 GFAF O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cccnn2)C1 95565738 LAFQWLZNMMYFGF-UHFFFAOYSA-N 375.219 2.698 0 1 GFAF COc1cccc(C(=O)N2Cc3nc(C)nc(-c4cc[nH]n4)c3C[C@H]2C)c1F 653836258 ZTPMHAVJNPKGFZ-LLVKDONJSA-N 381.411 2.910 0 1 GFAF COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587393430 IIHOEIJMNWFSIE-JPYJTQIMSA-N 394.471 2.976 0 1 GFAF O=C(O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587111376 FIEFTHWZTMCTCZ-UHFFFAOYSA-N 388.309 2.982 0 1 GFAF CC1=C(c2ccc3[nH]c(-c4cccnc4SCC(=O)O)nc3c2)NNC(=O)C1 586968402 NXDRGAGINWQFCU-UHFFFAOYSA-N 395.444 2.557 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(N)=O)n(C)c2)N1 587750664 JKRXIQAVQDWGTG-XYZCENFISA-N 380.261 2.823 0 1 GFAF COC(=O)[C@@H]1N2CCC(CC2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587788995 BCJJNHQNDUSNNB-AJPKGMEUSA-N 397.288 2.585 0 1 GFAF COCOCC[C@@H](NC(=O)OC(C)(C)C)[C@]1(CF)NCCc2c(C)ccnc21 963078053 WMBCOHSTNAFCGT-UZLBHIALSA-N 397.491 2.604 0 1 GFAF Cn1cc(C2=NC(=O)N[C@@H](c3ccc(C(=O)O)c(O)c3)[C@@H]2c2ccsc2)cn1 169702752 DYZHMEZHAFZSRU-HOTGVXAUSA-N 396.428 2.923 0 1 GFAF COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(C2CC2)c(OC)n1 169705111 BLZQIKJDLJOLFJ-UHFFFAOYSA-N 384.436 2.587 0 1 GFAF O[C@@H](CNc1ccc(Br)cc1F)Cn1nnnc1-c1ccccc1 6822758 XANYQBISIRWLQM-ZDUSSCGKSA-N 392.232 2.715 0 1 GFAF Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2Cl)C3=O)cn1 103247236 OMLMKKKGMTYKBO-UHFFFAOYSA-N 398.850 2.531 0 1 GFAF CC(=O)O[C@@H]1CC2=C3[C@H](C[C@H](C)[C@]4(C[C@H](c5ccoc5)OC4=O)[C@H]3C1)OC2=O 2356434831 GMHUPLXKKUACIO-SOGCDVHOSA-N 386.400 2.858 0 1 GFAF OCCOc1ncc(/C=C/c2ccc(O)cc2)cc1[125I] 100067279 PAVMZGIZGZHTCN-XKYREWHYSA-N 381.186 2.933 0 1 GFAF N=C(NC[C@H](O)CO)c1c(O)nsc1Nc1ccc(Nc2ccccc2)cc1 101101168 UTVKTGBQMLSAEF-HNNXBMFYSA-N 399.476 2.604 0 1 GFAF CCOC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 100998225 NGDXDQSSXJGFDM-JBYGMCGMSA-N 383.488 2.829 0 1 GFAF O=C(O)[C@@H]1CN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1 64447276 AYWYOYAKLYFQAR-SFLYRZDNSA-N 376.500 2.982 0 1 GFAF CC(=O)Oc1cc2c(cc1C(CO)CO)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 2356671983 RFZYDRDAPXBEPG-BVSLBCMMSA-N 390.476 2.775 0 1 GFAF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC)CC[C@@H]2[C@@]1(C)CC[C@H](C(C)(C)NC)O1 2356831166 JMTPBTLHAQEXIC-CDRNLTESSA-N 395.632 2.675 0 1 GFAF COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N[C@@H](C)C(=O)N12 36388990 HIXJPWLVDINEFV-FIEKLAQCSA-N 392.455 2.648 0 3 GFAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCC2)cc1F 216201467 NWSAMHCDYNNING-UHFFFAOYSA-N 378.853 2.584 0 1 GFAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2nnsc2C1 40880287 JICSOUQQDNPUEL-IBGZPJMESA-N 385.581 2.930 0 1 GFAF CN1CCN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]43)C[C@@H]2O)CC1 40953638 GNKQFOZAQFOXJB-WIKDVRPQSA-N 390.612 2.977 0 1 GFAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]([C@H](C)/C=C5/OC(=O)C(C)=C5OC)[C@@](O)(O3)[C@@H]1CCN42 145458012 LLRUDQNWYFSTOW-OVKNHAENSA-N 389.492 2.724 0 1 GFAF O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 95878650 RJOUIUOITMHMDJ-CSMYWGQOSA-N 388.265 2.834 0 1 GFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95893693 JIPAKEXGEFDDCB-AQNXPRMDSA-N 379.460 2.594 0 1 GFAF c1ccc(CO[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3Nc2nccc(-c3ccco3)n2)cc1 25434273 SLYWBELHRIKZSK-VBSBHUPXSA-N 379.416 2.900 0 1 GFAF biogenic CCC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)[C@@H](CO)N1C(C)=O 95666852 SEEYZALRFVFJNZ-MQSCRBSSSA-N 396.487 2.564 0 1 GFAF O=C1OCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2CCO)OCCO3 299820193 CODMLZKFWBTQFC-LJQANCHMSA-N 399.830 2.866 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3C[C@@H](C(=O)O)CC3=O)c1)O2 587395828 OQBGPYRSCYWTKH-WHEQGISXSA-N 394.427 2.895 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(=N)[nH]cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240519 VEJHBMBFZCJAQN-RPLLZPRCSA-N 387.484 2.925 0 1 GFAF Nc1ncnc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c12 587092033 QSMIRTNRYJPTCX-UHFFFAOYSA-N 378.236 2.957 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136662 UXZVMNLJJSEJAJ-UHFFFAOYSA-N 388.193 2.918 0 1 GFAF CCOC(=O)c1cc([C@@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)nn1C 962577820 WHVNJAQBYPSXHW-LRTDBIEQSA-N 387.480 2.754 0 1 GFAF CC1=C[C@@]2(NCCc3c2c(C(C)C)nn3C)c2cccc(F)c2N1CC(=O)O 962922243 QSTNAYQFBKHEQV-OAQYLSRUSA-N 384.455 2.880 0 1 GFAF COC(=O)C[C@]1(Cc2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219662 HUOABZWZRIAWMU-OFNKIYASSA-N 390.439 2.835 0 1 GFAF O=C([C@@H]1Cc2ccccc2[C@@H](Cn2c(=O)oc3ccccc32)N1)C(F)(F)F 962729641 IQBZKOWQUWCEKZ-UONOGXRCSA-N 376.334 2.982 0 1 GFAF COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3 13797331 NVKFKYFEFLFZKJ-AGILITTLSA-N 390.483 2.910 0 1 GFAF CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 169710809 VDCCBHJXOKWFOU-AOOOYVTPSA-N 384.424 2.777 0 1 GFAF CNC(=O)c1coc([C@H]2[C@@H]3CC[C@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 100757014 XRRNUAXUYMWVSW-PCODUJHASA-N 384.432 2.555 0 1 GFAF COc1ccc([C@H](C)NC(=O)[C@@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100795797 QXDNINQOTQLSMY-GNHDWYQJSA-N 380.444 2.901 0 1 GFAF O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)c(Cl)ccc21 28523683 LNOAWMRNRLHSQE-UHFFFAOYSA-N 375.881 2.941 0 1 GFAF COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(C(=O)O)cc2)c(OC)c1 28965805 KOFZGADJOXHTPZ-CMDGGOBGSA-N 392.429 2.996 0 1 GFAF O[C@@H]1[C@@H](NCc2ccc(-c3ccccc3)cc2)[C@H]2CO[C@@H](O2)[C@@H]1N1CCCCC1 2356835582 KTCDNDIUPOEMCT-HUUMMWPTSA-N 394.515 2.782 0 1 GFAF O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)c2ccccc2)on1 61908427 FGDAZKVTZICWBW-IBGZPJMESA-N 391.427 2.818 0 3 GFAF N[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1 64539261 SXYLSTFTOJZUGU-GOSISDBHSA-N 395.894 2.502 0 1 GFAF Cc1ccc(-c2cc(CC(C)(C)C)[nH]n2)cc1S(=O)(=O)N1CCOCC1 40914487 PULNPRPJQNBQTH-UHFFFAOYSA-N 377.510 2.995 0 1 GFAF COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc1 199665003 WNGNHYKRYHCSIR-NRFANRHFSA-N 377.440 2.939 0 1 GFAF Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5o4)C3)c(N)c2c1C 221820455 FLSMDRDULZDAQF-UHFFFAOYSA-N 394.460 2.650 0 1 GFAF CC(=O)NCCn1c(C2CC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179734 SXEFEAWDPKPTKD-UHFFFAOYSA-N 382.443 2.634 0 1 GFAF CCC(CC)(NC(=O)c1cccc(OCC(F)(F)C(F)(F)F)n1)C(=O)NC 143535508 RJWZYQFETKFLMW-UHFFFAOYSA-N 397.344 2.693 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1cccc(F)c1 95895399 ZJXUDCKKEIQJBB-XUVXKRRUSA-N 399.466 2.504 0 1 GFAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 95871783 UVQGOMIEIBUXJK-FPOVZHCZSA-N 382.504 2.545 0 1 GFAF COc1ccc2c(OCc3nnc4nnc(-c5ccccc5)nn34)ccnc2c1 653830114 KNRJZFHLLFYPII-UHFFFAOYSA-N 385.387 2.717 0 1 GFAF COC(=O)c1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587768946 FGGIKPNKWQMJFQ-AYVTZFPOSA-N 380.217 2.788 0 1 GFAF CC(=O)N1CCC(C(=O)c2c(CO)oc3cc(Br)cnc23)CC1 587276413 ODCOBXVHBIVIOY-UHFFFAOYSA-N 381.226 2.524 0 1 GFAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c(F)c2)c1 587147178 JVFNEMKEFQUHMX-UHFFFAOYSA-N 379.351 2.897 0 1 GFAF N=C(N)c1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1 587260048 QUBJFFKERKEMPR-HNNXBMFYSA-N 380.452 2.553 0 1 GFAF CCC[C@]1(CC(=O)N[C@@H]2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587511395 PPGBHNIGLWYOEH-VGOFRKELSA-N 385.460 2.891 0 1 GFAF NC(=O)NCCC[C@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587260551 ZCFACVDUJSRTEP-QMMMGPOBSA-N 394.195 2.793 0 1 GFAF Cc1c(O)ccc2c1[C@@](Cc1nc(O)cs1)(C(C)(C)C)N[C@H](C(=O)O)C2 963511083 SZLKWJSDAQWTST-BUXKBTBVSA-N 376.478 2.946 0 1 GFAF CS(=O)(=O)c1ccc([C@@H]2SCC(=O)N2CCCN2CCCCC2)cc1 1772647672 BAXZUDRJECRMLK-SFHVURJKSA-N 382.551 2.540 0 1 GFAF O=C(Nc1ccc([C@@H]2C[C@@H]2C(=O)O)cc1)c1cccc(NC2=NCCCN2)c1 13911340 HISPCWBBRIZTIO-ROUUACIJSA-N 378.432 2.888 0 1 GFAF O=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@H](Nc2ccc(F)cc2)C1 14960203 WNCZLGRPMPPSMH-IBGZPJMESA-N 380.427 2.577 0 3 GFAF Nc1c(C(=O)NCc2ccccc2)nnn1Cc1cccc(Br)c1 6772581 WEEPCONICNMUGQ-UHFFFAOYSA-N 386.253 2.601 0 1 GFAF aggregator O=C(NCc1ccco1)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 29079558 HSSDEGWNMLKROU-UHFFFAOYSA-N 396.424 2.554 0 1 GFAF CC(C)CCCCCCCCC=CC[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H](N)CO 2356440413 AMKJRXWVNVNVKO-BZSNNMDCSA-N 395.562 2.578 0 1 GFAF CC(C)C(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356527964 MRZVSQHCBLKLKZ-LMMKCTJWSA-N 376.428 2.704 0 1 GFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2ccncc2)nc1 28569795 AIUNQRFVYWTOHE-UHFFFAOYSA-N 398.366 2.664 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1[C@H](O)C2=CC[C@@H]1[C@@](C)(CO)CCC[C@@]13C 2356739310 QFBYYXGJRJFYQU-VNEVJAEPSA-N 378.509 2.577 0 1 GFAF C[C@]12C[C@@H]3C[C@H](C1)C[C@@](CC(=O)NCCN1CCN(c4ncccn4)CC1)(C3)C2 261155276 PUAGFPNCHHUQEU-PVTAMDAMSA-N 397.567 2.711 0 1 GFAF CC(=O)Nc1ccc(S(=O)(=O)NNc2cccc(Br)c2)cc1 299837370 KAUXONHHBVMJGN-UHFFFAOYSA-N 384.255 2.713 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CN(C(=O)C(F)(F)F)C2)N1 587709226 JMYLPHPRHCAELS-SSDOTTSWSA-N 381.167 2.722 0 1 GFAF O=C(O)COCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587564721 WQGXLLQXMSSRGR-UHFFFAOYSA-N 395.824 2.618 0 1 GFAF OCc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587187307 DLKCVMPUECQITG-UHFFFAOYSA-N 390.184 2.975 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Cl)cc3[nH]2)[C@H](C)O)cc1 586935265 CZPCUAFSIPRIBH-MGPLVRAMSA-N 395.868 2.625 0 1 GFAF CCN1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(=O)OC)C1 587763162 XFJJZCWMRVUMEQ-UCMVZMLTSA-N 399.304 2.833 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587006211 AZJAHGJWZQFNJG-UHFFFAOYSA-N 387.646 2.688 0 1 GFAF COC1=COC(C(=O)O)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618946 VPLVYDGZGHXNOY-JXFKEZNVSA-N 382.324 2.579 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4nc5nonc5nc41)[C@@H](C2)C3=O 587437680 JCAGFOFOILXLCB-ZSEKCTLFSA-N 384.351 2.693 0 1 GFAF CCn1cc(N)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587660617 HVKMGZZKLGEGCP-UHFFFAOYSA-N 377.379 2.690 0 1 GFAF CC(=O)n1[nH]c(C)c([C@@]2(C)c3cccc(Br)c3CCN2C)c1=O 963281602 SLSGMTJYXMUVLR-QGZVFWFLSA-N 378.270 2.659 0 1 GFAF CNC(=O)C1=Cc2ccc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1 13553846 AMZQCHSWYXTZOT-LJQANCHMSA-N 385.416 2.984 0 1 GFAF O=c1[nH]c2ccc(N3CCCC[C@@H]3CCO)nc2nc1Cc1ccc(F)cc1 766848 XIOYNEUOEZTFMC-MRXNPFEDSA-N 382.439 2.789 0 1 GFAF COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C[C@@H]1COC(=O)[C@H]1C2)OCO3 1575126 YIIRKVZAEAXDAD-HIFRSBDPSA-N 398.411 2.996 0 1 GFAF Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)s1 2588339 FEIJSKWHWDSAHF-UONOGXRCSA-N 385.376 2.735 0 1 GFAF O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2c1CCCC2 3783044 QJZIGPVOTXIJRK-UHFFFAOYSA-N 391.399 2.685 0 1 GFAF C[C@]1(O)CCN(C(=O)C2CC2)[C@@H](c2cccs2)[C@H]1NC(=O)C1CCCC1 2356289195 RCMSFDIDABRCBE-QKLQHJQFSA-N 376.522 2.858 0 1 GFAF COC[C@@H]1COc2cc([C@@H](O)[C@@H]3CCCN(Cc4ccccc4)C3=O)ccc2O1 103271802 DSQCPOXDBGGZLE-XQBPLPMBSA-N 397.471 2.945 0 1 GFAF O=C(Nc1cccnn1)N1CCN(c2nccc(-c3ccc(F)cc3F)n2)CC1 59151413 JQERCZLQLVZUAJ-UHFFFAOYSA-N 397.389 2.566 0 1 GFAF O=C(Nc1ncc(CCO)s1)N1CCC(N2CCc3ccc(F)cc32)CC1 103241474 HUKKGZZMIRBZOE-UHFFFAOYSA-N 390.484 2.876 0 1 GFAF C/C1=C/C(=O)O[C@@H](C[C@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C\CC1 101653970 JDROCHDFKUSVDQ-KCWWWFOZSA-N 397.537 2.938 0 1 GFAF Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccc(F)c(F)c1 103230924 RQIVVIRLGLYLGN-UHFFFAOYSA-N 377.372 2.516 0 1 GFAF C[C@H](C[P@](=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 26184058 OMVDKKAFVFXCGJ-WBVHZDCISA-N 381.409 2.991 0 1 GFAF S=C1Nc2ccccc2C2=N[C@H](CN3CCN(c4ccccc4)CC3)CN12 22940673 MLCJXTBXXGDLFP-MRXNPFEDSA-N 377.517 2.650 0 1 GFAF NC(=O)c1cccc2c1C(=O)N(CC1CCN(Cc3ccc(F)cc3)CC1)C2 117347973 NUHXDBWKUCTWQB-UHFFFAOYSA-N 381.451 2.793 0 1 GFAF C1=CC(c2noc([C@H]3CCCN3Cc3ccccc3)n2)=C[C](N2CCOCC2)N1 2356868004 IKQGALSGVNMQAT-LJQANCHMSA-N 392.483 2.729 0 1 GFAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@H](O)[C@]56CO[C@H](C[C@H]1[C@@H]2OC(C)(C)O4)[C@H]36 504679165 ROMZGRYIOOHATE-YIAXSBDASA-N 390.520 2.934 0 1 GFAF biogenic COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]ncc32)cc(Br)c1OC 71294991 OHNHLNXUPDXLEC-GFCCVEGCSA-N 392.209 2.558 0 1 GFAF CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@H]1c1coc2ccc(C)cc2c1=O 71405074 XEISBKBSGOZAFS-ZDUSSCGKSA-N 396.321 2.835 0 1 GFAF Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1nc2cc(Br)ccc2[nH]1 49110291 AGDNKCSJKFPNFG-UHFFFAOYSA-N 391.254 2.932 0 1 GFAF COCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82142994 PIBPDJULABEOMG-UHFFFAOYSA-N 384.411 2.907 0 1 GFAF O=C(c1ccc(Cl)cc1Cl)N1CCc2c(nnn2-c2cnccn2)C1 225974235 OOZIVPGZLRXGNX-UHFFFAOYSA-N 375.219 2.563 0 1 GFAF Cc1cccnc1C(=O)Nc1ccc(F)c([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1 226081266 FMPPQMWLURDGIQ-BBEJJTJUSA-N 390.365 2.975 0 1 GFAF Cn1c(=O)c2c(ccn2CC(=O)Nc2ccc(C3CCCCC3)cc2)n(C)c1=O 82155799 HELJBCAFKVWFMO-UHFFFAOYSA-N 394.475 2.725 0 1 GFAF CC1(C)C[C@H](O)CCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146235851 WYONIFFIPHQDLD-CQSZACIVSA-N 395.450 2.701 0 1 GFAF COc1cccc(OC)c1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C 653823889 YETONTIEOMNYES-UHFFFAOYSA-N 399.447 2.934 0 1 GFAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)N1C(=O)CCC1=O)[C@@H](C2)C3=O 587440005 XVUGMVQKTCBCGW-DYALPIRYSA-N 391.423 2.876 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(C)(=O)=O)c(F)c1)[C@@H](C2)C3=O 587425964 IXCZFONSZFVBCZ-ORAYPTAESA-N 376.405 2.901 0 1 GFAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)n1 587587573 NGYHTFHRIAUGRY-CRAIPNDOSA-N 380.356 2.902 0 1 GFAF O=S(=O)(O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587042365 SSNBJEQJYSSPMW-HOTGVXAUSA-N 375.475 2.756 0 1 GFAF CC1(C)C[C@]2(CS(=O)(=O)C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614612 SRJJPNSYVADGKJ-OXQOHEQNSA-N 388.441 2.937 0 1 GFAF COc1ccc([C@H]2C=[N+]([O-])O[C@H](OC3CCCC3)[C@@H]2OC(C)=O)cc1OC 5857696 NGRNZGVMHYJOQM-LZQZEXGQSA-N 379.409 2.531 0 1 GFAF c1ccc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)nc1 13610223 BBCTXYKYQHGQLG-UHFFFAOYSA-N 392.463 2.690 0 1 GFAF Cc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(N)=S)c3nnnn3c2c1 1857595811 YULONRSGDQDNFE-GOSISDBHSA-N 387.472 2.981 0 1 GFAF COc1ccccc1C[C@H](O)C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 2155397 GTNAWQUISZAGQC-IRXDYDNUSA-N 385.460 2.955 0 3 GFAF Cn1nc(-c2ccc(Cl)c(S(N)(=O)=O)c2)s/c1=N\C1CCCCC1 3972547 WLORUJFAFMCLAI-SDXDJHTJSA-N 386.930 2.683 0 1 GFAF COc1ccc(CN2C[C@H]3CN(Cc4nccs4)CCN3C(C)(C)C2)cc1 2356455837 JRQUYTODOBIMAW-GOSISDBHSA-N 386.565 2.932 0 1 GFAF CC1(C)O[C@H]2[C@@H](CO[C@@]3(COC(=O)Nc4ccccc4)OC(C)(C)O[C@H]23)O1 27989802 DNTTVFLQOKHLPY-GJRWTSMGSA-N 379.409 2.633 0 1 GFAF O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21 28114505 HDAMLLQLBUIMGQ-FQEVSTJZSA-N 399.454 2.917 0 1 GFAF CN1C(=O)N2C[C@@H](CN3CCN(c4ccccc4)CC3)N=C2c2ccccc21 22940681 DTQSNPZHCWXURD-QGZVFWFLSA-N 375.476 2.509 0 1 GFAF CCN(CCOc1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 27184130 KSSXQYQYZBUPPF-SFHVURJKSA-N 382.460 2.669 0 1 GFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 2356742121 URGORGLYIPMNMS-BWPNAZKDSA-N 387.499 2.819 0 1 GFAF CO/C=C(/C(=O)OC)c1ccccc1CSc1nn2c(C)nnc2s1 35328646 RGLPWTIGMZTUCV-MDWZMJQESA-N 376.463 2.947 0 1 GFAF COC[C@H](C)Nc1cc(-n2nc(C)c3c2CC(C)(C)CC3=O)ccc1C(N)=O 36741075 LPFYFZQCRJOBCI-LBPRGKRZSA-N 384.480 2.882 0 1 GFAF Cn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1 45298611 FPXXLJCAHCXGGB-UHFFFAOYSA-N 379.405 2.514 0 1 GFAF CCN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 221229409 YUHWFYVLIPRFDV-HNAYVOBHSA-N 383.496 2.788 0 1 GFAF Cn1c(N)nc2c(Oc3ccc4c(c3)CCCN(CCC(=O)O)C4=O)cccc21 40872947 AGJHDEIJXGZDRQ-UHFFFAOYSA-N 394.431 2.811 0 1 GFAF C[C@H](NCc1c(C(=O)N2CCOCC2)nc2ccccn12)c1ccc(F)cc1 82039542 LQGLPHBNBBKQQB-HNNXBMFYSA-N 382.439 2.797 0 1 GFAF CCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195068931 BPECEJDPRFPPQD-VRAFFPSXSA-N 395.499 2.919 0 1 GFAF C[C@]1(F)CCC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cccc(C(N)=O)c3)cc12 146143279 KBENESZRTLSKOD-UTKZUKDTSA-N 395.438 2.892 0 1 GFAF O=c1ccc(-c2ccccc2)nn1CCN1CCN(c2ccc(F)cc2)CC1 98085569 FJJGCUVHMGQGNW-UHFFFAOYSA-N 378.451 2.872 0 1 GFAF COc1cc(N(C)C)ccc1[C@]1(O)C(=O)N(C)c2ccc(Br)cc21 95604812 KQBQBLULOVWPIA-GOSISDBHSA-N 391.265 2.736 0 3 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)CC)N(C(=O)NC(C)C)[C@H]2CO)cc1 95895740 YDHFMTCRVQBOGL-UUOKDLFSSA-N 387.524 2.835 0 1 GFAF CC(=O)C[C@@]1(O)C(=O)c2c(O)ccc(O)c2C12Oc1cccc3cccc(c13)O2 299832246 FNLORMFZWKRPDK-OAQYLSRUSA-N 392.363 2.782 0 1 GFAF COc1c(Br)c(Br)cc2c(=O)cc(C(=O)O)[nH]c12 58583734 LIJOWGSMOWBQHL-UHFFFAOYSA-N 376.988 2.760 0 1 GFAF biogenic Oc1nc(CN2CCOCC2)nc2c1[C@H]1CCCN1C(=S)N2c1ccccc1 473094016 UXCSLVXDPUPKOX-OAHLLOKOSA-N 397.504 2.588 0 1 GFAF NC(=O)c1cnc(-c2ccnc(NC(=O)C3CC3)c2)cc1OCC(F)(F)F 299870556 WKGPJYHNJFZOCU-UHFFFAOYSA-N 380.326 2.532 0 1 GFAF Cc1ccc2c3c(cc(-c4cn(C)c(=O)n(C)c4=O)nc13)-c1ccccc1C2=O 587096836 LAXVVMBDNPDZSZ-UHFFFAOYSA-N 383.407 2.819 0 1 GFAF CC1(C)C[C@@]2(CS(=O)(=O)C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614613 SRJJPNSYVADGKJ-UZLBHIALSA-N 388.441 2.937 0 1 GFAF COc1cc2c3c(c1)O[C@@](/C=C1/SCC(=O)N1C)(c1ccco1)[C@@H](C2)C3=O 587453014 OOUSWELMWPSFNH-SDNASITNSA-N 383.425 2.978 0 1 GFAF O=c1oc2ccc(Br)cc2cc1-c1ccc2c(O)nc(O)nc2n1 587367137 TZINBSWNZRBLDF-UHFFFAOYSA-N 386.161 2.972 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(CCC(=O)N(C[C@@H]4CCCCO4)CC1)[C@@H](C2)C3=O 587439524 VGNXNWVWCGRGBF-GIMINZRKSA-N 385.460 2.763 0 1 GFAF O[C@@H]1CCCCCCCN=C2N=c3c(c(-c4ccccn4)cn3CCCC1)=CN2 1772580053 NGJAXUZGEAUCFH-GOSISDBHSA-N 393.535 2.752 0 1 GFAF c1cc[n+]2cc(CN3CCC(c4nnn5cnc6[nH]ccc6c45)CC3)sc2c1 1772579629 OJECNICLXRUHEP-UHFFFAOYSA-N 390.496 2.785 0 1 GFAF Cc1ccc(-c2ccc(C(=O)N[C@H](CN)c3nc(C)c(CO)s3)[nH]2)cc1F 1772638795 KUDBKCKBFBFENV-MRXNPFEDSA-N 388.468 2.816 0 1 GFAF O=C(NCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5067139 XUTLBYKAKTWHOR-GOSISDBHSA-N 395.484 2.704 0 3 GFAF COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cc[nH]n3)CC2)cc1 12431613 JNSUVRLIOFVROS-UHFFFAOYSA-N 380.452 2.704 0 3 GFAF N=C(CCc1ccccc1)[PH](O)(O)C[C@H](Cc1ccc(O)cc1)C(=O)O 169717698 JLRBCNHNSXOTCP-INIZCTEOSA-N 377.377 2.810 0 1 GFAF Nc1ncc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CCC(N)CC1 203755543 JWHUZKCDLIXMSE-UHFFFAOYSA-N 388.475 2.906 0 1 GFAF Cc1ccncc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)[C@H](C)CC3 1857601899 PNKFIZDBDDKBQI-GFCCVEGCSA-N 381.407 2.987 0 1 GFAF COc1ccc(N2C[C@H](NC(=O)N3CCc4ccccc43)CC2=O)cc1OC 4479824 BLDZWPGJIAVAMH-OAHLLOKOSA-N 381.432 2.581 0 3 GFAF COC(=O)[C@]1(C)C=C(Nc2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1 8689930 CQRHWBQWPNYNBX-NRFANRHFSA-N 382.416 2.978 0 1 GFAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(C(N)=O)c3)CC2)o1 103291333 YNUNQWBQZPMTQB-UHFFFAOYSA-N 390.443 2.711 0 1 GFAF CN(CCc1ccccn1)CC[C@H]1CN(C(=O)C2CCC2)CC[C@H]1CC(=O)O 12480755 PPEKAGLZUHIZCC-OALUTQOASA-N 387.524 2.686 0 1 GFAF biogenic COc1ccc(NC(=S)N2Cc3ccccc3-n3nncc3C2)c(OC)c1 61924047 FMJSWTFZLKXPRG-UHFFFAOYSA-N 381.461 2.997 0 3 GFAF Cc1cc(C)n([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NCc3ccc(Cl)c(Cl)c3)[C@H]2O)n1 2356755907 CKHMMHGQRPANNG-ICUGJSFKSA-N 398.290 2.622 0 1 GFAF COc1cc2c(cc1OC)[C@]1(Cc3c(ccc4c3OCO4)[C@@]1(C)O)N(C)CC2 14684972 YSYUQMOGFFJWGB-YADHBBJMSA-N 383.444 2.580 0 1 GFAF biogenic COC(=O)C1=CO[C@H](C)[C@@H]2CN(C)CCc3c([nH]c4ccccc34)C(=O)C[C@H]12 14655449 RODCMQNDIKIJPO-COXVUDFISA-N 382.460 2.937 0 1 GFAF biogenic C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211471 NHZFTVXJJKWPEB-LBPRGKRZSA-N 386.452 2.858 0 1 GFAF Cc1c(C[C@H](C)C(=O)Nc2ccccc2C(=O)O)cnn1-c1ccc(O)cn1 49037531 XNVDEFZPGYQNLQ-LBPRGKRZSA-N 380.404 2.797 0 1 GFAF COc1cc([C@H]2C[C@]2(CO)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC 95595072 ZRQIJJNHVZOBLL-VGOFRKELSA-N 385.460 2.803 0 1 GFAF COC(=O)C(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587809485 RNTFSCXPVUNOLT-MIHTYCSTSA-N 384.245 2.860 0 1 GFAF CN(C)C(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184610 JGRQPEQXEMJJNC-UHFFFAOYSA-N 392.200 2.931 0 1 GFAF CN=c1nc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]s1 587860114 ZYTUCCHTDZZLOB-AYVTZFPOSA-N 385.306 2.895 0 1 GFAF CC(=O)N[C@H](Cc1nc2cc(N)c(N)cc2[nH]1)c1ccc(Br)cc1 586985134 KLOGLXMXNIGZBY-CQSZACIVSA-N 388.269 2.910 0 1 GFAF COC(=O)C[C@@]1(c2ccc(Cl)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962924572 KWALZIQQJNFSTF-NRFANRHFSA-N 386.879 2.994 0 1 GFAF O[C@@H]1Cc2ccccc2[C@@H]1NC1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772586679 AMBOJIFBTQQSPL-WPFFAJEQSA-N 388.475 2.880 0 1 GFAF Cc1cc(Nc2nc(C(=O)N(C)[C@H]3CCCNC3)nc3ccc(Cl)cc23)n[nH]1 1772632869 OHLYPLBEOXXARL-ZDUSSCGKSA-N 399.886 2.882 0 1 GFAF NC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(OCCCC(=O)O)cc12 13445767 HUEIPAQYKIDZLT-UHFFFAOYSA-N 380.400 2.601 0 1 GFAF [C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)OC[C@H]3F)c2)nc1 169702988 ULMKBCWEMAYQPY-CRAIPNDOSA-N 389.337 2.872 0 1 GFAF Cc1cc(C(=N)N)cc(C)c1OCCOCCOc1c(C)cc(C(=N)N)cc1C 1857537951 ZEUFEPXDIZTGSX-UHFFFAOYSA-N 398.507 2.963 0 1 GFAF COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCO)c(OC)c1 2485113 PPYHFQJELDHBEL-UHFFFAOYSA-N 386.379 2.887 0 1 GFAF CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)Cc1ccccc1OC 4546792 ANBNCHJNGDHOSC-OALUTQOASA-N 390.524 2.940 0 1 GFAF COc1ccc(OC(C)(C)C(=O)NC2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)cc1 100387754 MNVKIDPRYUGTTG-MBPYXZBBSA-N 386.492 2.649 0 1 GFAF COC(=O)[C@H]1Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2OC1=O 27085341 FLYQSGPFIBLADM-OAHLLOKOSA-N 396.399 2.594 0 1 GFAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCCCO)CC(=O)O1 27305237 NZGUMCZAKJOCSW-QYUFDEMSSA-N 386.554 2.671 0 1 GFAF Nc1nc(N)c2cc(S(=O)(=O)N3CCCC[C@@H]3Cc3ccccc3)ccc2n1 29464424 MZXCGHXTJWOJFU-OAHLLOKOSA-N 397.504 2.580 0 1 GFAF COc1cccc2[nH]c3c(c12)CCN1C[C@@H]2CC[C@H](O)[C@H](OC(C)=O)[C@@H]2C[C@H]31 2356550889 MTJHSYDEEYNWIV-BRWKRHNKSA-N 384.476 2.798 0 1 GFAF CCc1nc(Cl)c([C@H]2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC(C)C)[nH]1 35942764 AOLAQDUHDBFMAT-AWEZNQCLSA-N 381.860 2.985 0 1 GFAF COc1ccccc1N1CCN(CCN2C(=O)C[C@@H](C3CCCCC3)C2=O)CC1 40916601 OPEFAFJPXBCOEF-IBGZPJMESA-N 399.535 2.773 0 1 GFAF CC(C)[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c2=O)N1 82206234 VGFOIUQCBVXQRT-MRXNPFEDSA-N 397.504 2.577 0 1 GFAF C[C@]1(c2nnnn2C2CCCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2 199242750 COQVHMNTEVPQJP-HXUWFJFHSA-N 383.452 2.945 0 3 GFAF NNc1ncnc2c1cnn2-c1ncnc2sc3c(c12)-c1ccccc1CC3 43074189 LSCVAMYDGMQFTO-UHFFFAOYSA-N 386.444 2.871 0 1 GFAF O=C1NC[C@@H]2c3c(cccc31)CCN2C(=O)Cc1ccc(Br)cc1 43178839 PVEJMVVRBFYQAK-MRXNPFEDSA-N 385.261 2.861 0 1 GFAF CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)C 146357736 YWZGEGZSNRFLOJ-CQSZACIVSA-N 387.402 2.791 0 1 GFAF CC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95668202 QSARMLWFTJLMLQ-BHDDXSALSA-N 382.504 2.845 0 1 GFAF CN1CC[C@@H](c2cc(-c3cnc(N)c(F)c3)nn2C2CC(F)(F)C2)CC1=O 146501545 VBNWFPXDPDRAGF-SNVBAGLBSA-N 379.386 2.972 0 1 GFAF CNc1nc(Nc2cc(F)c(S(C)(=O)=O)cc2OC)ncc1C(F)(F)F 95578134 RJNFWPNXSNQTBW-UHFFFAOYSA-N 394.350 2.832 0 1 GFAF O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cccnc1 95894731 MLJFMAHJLRFJJA-YQVWRLOYSA-N 391.393 2.710 0 1 GFAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCC4(N(C)C)CCC4)ncc23)ccn1 261073930 ANVZACPAYYOJTD-UHFFFAOYSA-N 379.468 2.934 0 1 GFAF Nc1ccc(C(=O)C[C@]2(O)c3ccccc3-n3c2nc2ccccc2c3=O)cc1 473083171 MXTWOQJMKUUFJC-QHCPKHFHSA-N 383.407 2.790 0 1 GFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 587259684 KKBWGLPEULMVJC-HNNXBMFYSA-N 382.420 2.968 0 1 GFAF COc1cc(-c2nc3c(O)nc(O)nc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143514 GSHWAQKEHJTBKX-UHFFFAOYSA-N 396.334 2.944 0 1 GFAF COC(=O)c1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1 587132449 QLBLEKGCJJXPLF-SECBINFHSA-N 382.367 2.714 0 1 GFAF COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587934359 CSUBYDQNMZLHPP-KZULUSFZSA-N 389.477 2.659 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c1 587021309 HHZQLEXVHLEVDH-JTQLQIEISA-N 380.495 2.818 0 1 GFAF COc1ccc(-n2cc([C@@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cn2)cc1 963521357 BMDNLLYIHNXGLJ-ICSRJNTNSA-N 379.416 2.583 0 1 GFAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cnn(-c3cccnc3)c2)N1 962964165 JKUQMLVHYGFALP-RHSMWYFYSA-N 390.777 2.887 0 1 GFAF COc1ccc2c(C)nc(N3CCC[C@H](C(=O)N4CCC(OC)CC4)C3)nc2c1 11969983 KEUKALSTEVNVJT-INIZCTEOSA-N 398.507 2.801 0 1 GFAF CCOC(=O)CCc1c(C)nc2nc(NCc3ccc(OCC)cc3)nn2c1O 15668900 QLUGBHVDXVKQAK-UHFFFAOYSA-N 399.451 2.645 0 1 GFAF CC(=O)OC[C@]1(C)[C@H]2CC[C@@H]3C[C@@H]4C[C@]3(CC[C@@]4(O)CO)[C@@]2(C)CC[C@H]1O 17129198 SSEWIUPYEWEJEH-FUZNTBAXSA-N 380.525 2.657 0 1 GFAF COc1ccc([C@]23OC[C@@]24[C@@H](CO)[C@@H]4Cc2cc(OC)c(OC)cc23)cc1OC 169301364 IJIWCXXEKDKLBN-ZCVTWQBDSA-N 398.455 2.776 0 1 GFAF CCOC(=O)CN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@@H]1C 169356154 FUPAQXIAYSURIA-AMKSKSKJSA-N 386.370 2.929 0 1 GFAF CN=c1[nH]cc(C(=O)OCc2ccc(Cl)cc2)c2nc(-c3ccco3)nn12 1857655782 PRAKMCYPZSLRMB-UHFFFAOYSA-N 383.795 2.858 0 1 GFAF CC1(C)CC[C@@H](O)[C@@]1(C)c1ccc(C(=O)OCC[C@](C)(O)CC(=O)O)cc1 2356386735 UYLYUHNDNNVOPJ-TYCQWZJGSA-N 378.465 2.898 0 1 GFAF O=C(NC[C@H]1CCCO1)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)O 8691343 OULBIRYRDFJELT-SECBINFHSA-N 398.387 2.852 0 3 GFAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@@H](O)CN 29553936 AYMHYBUGFXYGNZ-NSHDSACASA-N 392.818 2.873 0 1 GFAF O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2ccc([18F])cc2)CC1 101913255 GKGRZLGAQZPEHO-KVTPGWOSSA-N 396.409 2.680 0 1 GFAF CN(C)C(=O)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 39247015 KDRXSIVAJVXIES-UHFFFAOYSA-N 379.851 2.902 0 1 GFAF CCN1CCN(c2ncc(C)c(NCCc3ccc(OC)c(OC)c3)n2)CC1 82202872 FHAXNSUAMYSBPG-UHFFFAOYSA-N 385.512 2.599 0 1 GFAF C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCCCN(C)C 82070769 FTBYCWCRBFMTSO-AWEZNQCLSA-N 375.494 2.813 0 1 GFAF CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(C(N)=O)cc1C 45253901 UQYJVIVWKJSVEQ-UHFFFAOYSA-N 396.495 2.702 0 1 GFAF CN(CC(=O)OC[C@@H]1CCCN1C)C(=O)c1csc(Nc2ccccc2)n1 82085858 HCGGFDFTZMAQOU-HNNXBMFYSA-N 388.493 2.596 0 1 GFAF O[C@@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4nccs4)nn23)C1 142974667 DECARIPTBLIWSP-CQSZACIVSA-N 393.476 2.953 0 1 GFAF O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1cccnc1 95894929 BUTOOXDHWZTZNV-FKBYEOEOSA-N 379.504 2.831 0 1 GFAF CCn1nccc1[C@@]1(CC(=O)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587517801 VLVXJXDKMRMTCH-QFIPXVFZSA-N 396.443 2.775 0 1 GFAF Clc1ncc2nc(-c3ccc4ncc(I)n4c3)nc-2[nH]1 587186654 NHMTVYLBBWSYIG-UHFFFAOYSA-N 396.579 2.877 0 1 GFAF O=C(NCc1ccco1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658671 SDMURKGIYGPQQA-UHFFFAOYSA-N 391.358 2.752 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592856 HRNZZDIPHXKEQG-VNQUDTPISA-N 395.411 2.565 0 1 GFAF O=C1COc2cc3[nH]c([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)nc3cc2N1 587149163 MENZXMLNCYKKNR-NSHDSACASA-N 398.369 2.688 0 1 GFAF C[C@@]1(c2cccc(S(C)(=O)=O)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962762633 JSXQISWJMZKWGC-AEFFLSMTSA-N 397.418 2.999 0 1 GFAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@H]2CCOC2)cc1F 1772601388 RUYBNJLLFWMLFN-QMMMGPOBSA-N 377.850 2.937 0 1 GFAF COc1ccc(-c2cnc3cnc(-c4cccc(NS(C)(=O)=O)c4)cn23)cn1 1857582322 GLMCKBPVGXVRJZ-UHFFFAOYSA-N 395.444 2.838 0 1 GFAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 4919384 GVXRQODGFZXQMC-ZDUSSCGKSA-N 379.869 2.774 0 1 GFAF CCn1ncc(C2=NO[C@@H](C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1C 6804866 JUBQYMFZBVHXBW-GOSISDBHSA-N 378.436 2.837 0 1 GFAF C[C@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NCC(N)=O 103199587 JFRQXCZPMGWTFF-VIFPVBQESA-N 384.219 2.550 0 1 GFAF Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)s1 113657836 UXEQXTWIWPXCHM-INIZCTEOSA-N 384.383 2.691 0 1 GFAF COc1ccc([C@@]2(Cc3cc[n+]([O-])cc3)CCNC2=O)cc1OC1CCCC1 27326910 PSGLYQZWECIEDQ-QFIPXVFZSA-N 382.460 2.650 0 1 GFAF S=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)Nc1ccccc1 2356300940 XIRPLXKNZDTNSI-LMMKCTJWSA-N 390.622 2.732 0 1 GFAF CC(C)(C)C(=O)N1CCN2[C@@H](CN(C(=O)c3ccccc3F)CC2(C)C)C1 2356303040 KRJCLTGJQIMZIP-OAHLLOKOSA-N 375.488 2.619 0 1 GFAF CN(C)C(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72185031 SJJVAXMSZLVBMY-QGZVFWFLSA-N 377.851 2.658 0 1 GFAF O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCc1ccccc1)[C@@H]23)OCO5 73196549 SGDVZQLKIZTDAA-XSEFMFLKSA-N 377.440 2.973 0 1 GFAF CN(C)CCc1cc2c(cc1[C@@H]1Cc3ccc4c(c3C(=O)O1)OCO4)OCO2 14650024 CVFMLLFLGTVLGJ-INIZCTEOSA-N 383.400 2.702 0 1 GFAF biogenic Cc1ccc(CNc2nc(C(F)(F)F)nc3c2nnn3C[C@H]2CCCO2)o1 84690276 PFFZGRHHPIYVFU-LLVKDONJSA-N 382.346 2.933 0 1 GFAF O=c1[nH]c2ncc(-c3ccc(-c4nn[nH]n4)cc3)nc2n1CC1CCCCC1 82152437 NNGMJGUIHOKDNH-UHFFFAOYSA-N 376.424 2.547 0 1 GFAF COc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](C)CN3)cc1 82210983 UMTNXVKIFWIAEK-CYBMUJFWSA-N 398.488 2.727 0 1 GFAF CCn1c(C2CN(c3cc(-n4nc(C)nc4C)nc(C)n3)C2)nc2ccccc21 143110939 IFFIRHPUTCUZLY-UHFFFAOYSA-N 388.479 2.956 0 1 GFAF O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccc(F)c1 95894038 RXRQVEZQDJTXHR-AABGKKOBSA-N 380.419 2.551 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 257387722 BMPRGPGLZWJNOP-HTXYRWFXSA-N 378.465 2.897 0 1 GFAF endogenous,in-man O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 299879184 KIUONUXAPBRWKD-XYJFISCASA-N 383.473 2.625 0 1 GFAF O=C(O)CCN(CCc1nc2cc3nc(O)[nH]c3cc2[nH]1)Cc1ccccc1 587193550 LNRRQIPBOCDZQR-UHFFFAOYSA-N 379.420 2.664 0 1 GFAF CN=c1nc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]s1 587619139 QVLQUDGRRFGHIW-BEFAXECRSA-N 383.429 2.670 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)([C@H]1C=C(C(=O)O)NN1c1ccccc1)[C@@H](C2)C3=O 587435707 IJLDVJDYHORFOW-QXATTWAWSA-N 392.411 2.563 0 1 GFAF CN(Cc1nc2c(Br)ccnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171380 XXCBWUJLKQHULK-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587391432 RLIMDGDIJGRPBN-LRTDBIEQSA-N 383.448 2.605 0 1 GFAF COC(OC)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573858 USCOBWAGTJRPEW-USLDCDLNSA-N 385.416 2.787 0 1 GFAF CCOC(=O)[C@@H]1COC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357346 NADLENRAXASVLV-DJPFJPOOSA-N 386.375 2.839 0 1 GFAF COc1cccc2cc3c(nc12)[C@@]1(NCC3)C(=O)[C@@]2(C(=O)O)CC[C@H]1C2(C)C 963059245 PVEZXMCURBHOSL-ITEAAPOESA-N 380.444 2.674 0 1 GFAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc3ncnn3c2)N1 962697820 MJPSZFMKJIJKQA-HIFRSBDPSA-N 380.301 2.576 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1C[C@@H](N(C)C)C1 1772639354 MCAREVOFGOBUKC-OKILXGFUSA-N 390.491 2.724 0 1 GFAF COc1cc(N)c(NC(=O)/C=C/c2nc3cc(OC)c(OC)cc3[nH]2)cc1OC 13216063 XGZBEBZNWONTIY-AATRIKPKSA-N 398.419 2.831 0 1 GFAF O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)/C=C/c1ccccc1 13446669 OREDEVGIJKLWAO-RJRNSMGGSA-N 387.439 2.983 0 1 GFAF CC(C)n1cnc2c(N[C@@H](CO)c3ccccc3)nc(N3CCC[C@@H]3CO)nc21 13834648 UVDXAWIPPFJUKV-SJORKVTESA-N 396.495 2.514 0 1 GFAF Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCOCC1 205262726 VGXQLRWWQIUSGF-UHFFFAOYSA-N 375.436 2.565 0 1 GFAF O=C(O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(O)c3C2)cc1 1857586333 FHOQQEJYCXYRNT-UHFFFAOYSA-N 375.384 2.746 0 1 GFAF CC1=C[C@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356333504 SJOCBVLRYKNBPB-HBMCJLEFSA-N 399.535 2.915 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 2498794 UCDINOGXVWLYJF-AWEZNQCLSA-N 390.596 2.987 0 1 GFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCC(F)(F)CC2)n1 2356309728 IJIRLUXFRATRKI-BSDSXHPESA-N 383.483 2.668 0 1 GFAF O=C(CCN1C(=O)N[C@H]2CCCC[C@H]2C1=O)NCCSCc1ccccc1 212536825 QNEGWKJMPNINBU-SJORKVTESA-N 389.521 2.537 0 1 GFAF COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 39106801 BPBCIZXGJQIHRC-AWEZNQCLSA-N 375.421 2.521 0 1 GFAF Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O 49051388 OZBIBCLIRXCJSR-UHFFFAOYSA-N 390.418 2.909 0 1 GFAF O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1 95900803 VBPXJTQPFOPDPZ-VKSDOSABSA-N 398.415 2.800 0 1 GFAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(C)=O 95666791 NDGIBXUBSDKIPM-RBBKRZOGSA-N 396.462 2.790 0 1 GFAF CC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CNC(=O)C1CC1 95895030 DZMKJVSMHVDZJH-FKBYEOEOSA-N 396.462 2.694 0 1 GFAF CNC(=O)[C@H]1Cc2c(cc(F)c(F)c2F)N1C(=O)COc1ccc(Cl)cc1 473136617 SVIJIYNKPMLYBI-CQSZACIVSA-N 398.768 2.840 0 1 GFAF CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587393314 FWACEVVOQDQMGC-BTYIYWSLSA-N 388.464 2.793 0 1 GFAF COC(=O)[C@]1(C)COCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587832795 CYDCJPDIUKYVPY-PZDALLCQSA-N 386.261 2.917 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)ncnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238888 HFEAPGITUIYBNM-WLCUFGOBSA-N 389.456 2.614 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1CCOCC1)[C@@H](C2)C3=O 587440501 AOAWWJBKCFHLPL-FDDCHVKYSA-N 395.455 2.895 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C(N)=O)cc1 587867960 STZUQPWJMNPHRI-UHFFFAOYSA-N 390.321 2.760 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C1(OCCO1)[C@H]42 963603866 CKDLACSZVKQZGZ-BEENZEPZSA-N 395.499 2.564 0 1 GFAF COc1ccccc1[C@@]1(CNC(C)C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963474900 XQHVCZUYZGQKJX-PGRDOPGGSA-N 384.476 2.550 0 1 GFAF CNC(=O)c1cccnc1Nc1nc(-c2ccc3c(c2)OCO3)cc2nccn12 1772582407 JSVHFMOWHYGVQM-UHFFFAOYSA-N 388.387 2.623 0 1 GFAF CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@@H](OCCC(C)C)C1 13450272 GPPOIHPRUJCQTN-AZUAARDMSA-N 393.504 2.904 0 1 GFAF CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)ccc3nc2-1 13556275 VJSCOIPYUQHYDB-NRFANRHFSA-N 380.375 2.609 0 1 GFAF COc1ccc([C@@]23OC[C@@]24[C@@H](CO)[C@@H]4Cc2cc(OC)c(OC)cc23)cc1OC 169301363 IJIWCXXEKDKLBN-ODYPEACGSA-N 398.455 2.776 0 1 GFAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cocn3)c2)c2cncnc21 169708010 JIQGGQIOEFSQAB-UHFFFAOYSA-N 376.376 2.879 0 1 GFAF O=C1COCCN1c1ccc(Nc2nc(Cl)nc(=Nc3ccccc3)[nH]2)cc1 1857634068 XMPLGZZDXVDWHM-UHFFFAOYSA-N 396.838 2.797 0 1 GFAF O=C(O)C[C@@](O)(CSCCCCCCc1ccc(C(=O)O)cc1)C(=O)O 13758281 VHFIHZDZXHMYGZ-GOSISDBHSA-N 384.450 2.511 0 1 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCc1ccccn1 29322449 WJXMHSPYDSGKRB-UHFFFAOYSA-N 376.888 2.968 0 1 GFAF Cc1nonc1COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 28711838 PZPZRVXQQPCERC-YEJXKQKISA-N 399.447 2.622 0 1 GFAF CCCSc1nc(N(C)C)ncc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101550234 VQFHRWVKAMEZEK-HIFMSWFPSA-N 390.553 2.714 0 1 GFAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@@H]32 14719384 QRYQVCQRVMGDEO-FDFHNCONSA-N 382.460 2.935 0 1 GFAF biogenic CC(C)(C)OCC(=O)Nc1ccc(F)c([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1 226069272 DJYMPHOPKGKESD-WHWRDJHUSA-N 385.386 2.773 0 1 GFAF CC(C)NC(=O)Nc1nccn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 1911574472 VZPUJPYSNLPEKX-UHFFFAOYSA-N 378.436 2.818 0 1 GFAF Cc1cn(CCCCCCCCCC(F)(F)P(=O)(O)O)c(=O)[nH]c1=O 84652977 WEWRBVLYCZRBSR-UHFFFAOYSA-N 382.344 2.736 0 1 GFAF Cc1ccc(S(=O)(=O)N2[C@@H](C)CO[C@H]2CC(=O)OCc2ccccc2)cc1 95571152 YPEJADULRJGHSG-LPHOPBHVSA-N 389.473 2.864 0 3 GFAF NCCNC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 473148547 GJIYFZYSQJGEHK-UHFFFAOYSA-N 391.275 2.609 0 1 GFAF O=C1Nc2ccccc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 299861274 ICMZAWMTNBKNMH-NRFANRHFSA-N 398.382 2.621 0 1 GFAF CCOC(=O)N1CCC(CN2CC[C@@H](N3Cc4ccccc4NC3=O)C2)CC1 473153044 XOXRENMGMTUADK-GOSISDBHSA-N 386.496 2.977 0 1 GFAF COC(=O)[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587812311 YKGPDZNZIUNDRL-JHXNIKBNSA-N 384.245 2.860 0 1 GFAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3cnccn3)CC1)CC2=O 587476433 OYVVUBQLIUMRMV-UHFFFAOYSA-N 381.432 2.775 0 1 GFAF O=C(Cn1cc(C(F)(F)F)ccc1=O)n1ncc2ccc(Cl)cc2c1=O 587651617 NECJKGXEQMTDDW-UHFFFAOYSA-N 383.713 2.571 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(N)(=O)=O)c2)N1 587842241 SZYWVTJHZFGIBE-JDNHERCYSA-N 399.285 2.859 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516294 VLZYWCNCYJAFPQ-JOCHJYFZSA-N 379.412 2.953 0 1 GFAF COc1cc2c3c(c1)O[C@H](CCCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587437794 LHCKSNNXQUMLBG-IAGOWNOFSA-N 377.396 2.888 0 1 GFAF O[C@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC[C@@H]1F 1772642301 GXVPBDZWUHCKCZ-KXBFYZLASA-N 390.422 2.991 0 1 GFAF CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 5070384 AMODCMJMLGQORR-YQVWRLOYSA-N 388.508 2.966 0 1 GFAF O=C(NC1CCCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 169303431 KUIQSZQSMKEKNG-NRFANRHFSA-N 379.460 2.993 0 3 GFAF NCCCCN(C[C@H]1CN(c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 201000044 UHSPBYGMFDJODE-GGAORHGYSA-N 393.579 2.978 0 1 GFAF C[C@]1(c2nc(NC(=O)c3ncccc3Cl)ccc2F)N=C(N)OCC1(F)F 205804783 MQFTZDVMSMFRAU-OAHLLOKOSA-N 399.760 2.717 0 1 GFAF CN1C[C@H](C[C@@H]2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 1857612049 WRADCISQZXKNIK-GXTWGEPZSA-N 383.448 2.813 0 1 GFAF COC(=O)[C@H](CCSC)NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1 1646843 YJYKIZCLINNOKP-SFHVURJKSA-N 385.485 2.871 0 1 GFAF O=C(c1ccc(CNc2c(N3CCCCC3)c(=O)c2=O)cc1)N1CCCCC1 4955686 UVNJQTNVCAHIMB-UHFFFAOYSA-N 381.476 2.511 0 1 GFAF O=C(O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 28230694 DLEIBZNSIBMKDX-VPGVIOTPSA-N 383.441 2.653 0 1 GFAF COc1ccc(CCNC[C@H](O)COc2ccc(-c3ncco3)cc2)cc1OC 26017620 FQYFINCLEJASOP-SFHVURJKSA-N 398.459 2.931 0 1 GFAF O=C(O)COCCCCC1=CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 28232031 BLXVKGGCYLNORA-OAHLLOKOSA-N 385.457 2.712 0 1 GFAF Cc1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)o2)cc1 103204645 KJNMCBDCDSBSMT-UHFFFAOYSA-N 380.433 2.902 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C 2356537611 YTKUUOVYXFLJGW-FJGIFDFHSA-N 378.465 2.897 0 1 GFAF O=S(=O)(Nc1cccc(Cl)c1)NS(=O)(=O)Nc1cccc(Cl)c1 28015225 KUTLTVZNKVGUPR-UHFFFAOYSA-N 396.277 2.597 0 1 GFAF Cc1cc([C@@H](C)NCCOCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 35878330 NRQSVCDMDAGNQK-OAHLLOKOSA-N 381.436 2.567 0 1 GFAF Cc1cc(O)c2c3c4c(cc(O)c13)[C@](C)(O)C(=O)c1c(O)cc(O)c(c1-4)C2=O 14641513 BMNYYLNOCTUKIY-NRFANRHFSA-N 378.336 2.586 0 1 GFAF biogenic C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCCCN(C)C 82084043 BXTSHFHJZYGUOY-CQSZACIVSA-N 390.509 2.890 0 1 GFAF CCOC(=O)CNC(=O)N1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1 199388459 XBWQZEUQHGQSLF-UHFFFAOYSA-N 391.431 2.523 0 3 GFAF COc1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC(C)=O 87613144 ITNAXNYNGBVZOJ-LBPRGKRZSA-N 386.356 2.799 0 1 GFAF C[C@@H]1C[C@@H]1COc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]ccc12 146455940 BYLLNEGCIQBVEM-CHWSQXEVSA-N 386.473 2.972 0 1 GFAF O=C(/C=C/c1cccn(C/C=C/c2ccccc2Br)c1=O)NO 143793129 RQDJUMJGHLSYST-YGTBBBQQSA-N 375.222 2.843 0 1 GFAF COc1cc2ncnc(N3CCN[C@H](c4ccccc4OC)C3)c2cc1OC 96168414 OUFNJXGYBQHBRF-KRWDZBQOSA-N 380.448 2.807 0 1 GFAF COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(OC)c3)ccc1N(C)[C@@H]2CO 95877842 RASARJJJQQOVAW-ZEYPLWLESA-N 396.487 2.709 0 1 GFAF CN1CCN(c2ccc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c3c2)CC1 586924664 STANYYCCUPDWFC-ZROIWOOFSA-N 382.489 2.759 0 1 GFAF COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12 586984450 QHGNFJQDAZOIJI-LBPRGKRZSA-N 375.226 2.750 0 1 GFAF COc1ccc([C@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587807133 JWPFMOLAEXWLOJ-MGNBDDOMSA-N 396.256 2.685 0 1 GFAF COC(=O)[C@]1(C)COCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587836366 TUUGUDMWNWRYPU-POJUEXTFSA-N 386.261 2.917 0 1 GFAF CN[C@H](c1cccnc1)c1nc2c(I)cnc(Cl)c2[nH]1 587223555 OBEYWDBMETUXEJ-SECBINFHSA-N 399.623 2.920 0 1 GFAF CCOC(=O)c1cccc([C@]2(C(=O)OCC)NCCc3c2c(C(C)C)nn3C)c1 962917556 FRQQOQMKVAKSJV-QFIPXVFZSA-N 399.491 2.673 0 1 GFAF CCc1cc(C(C)=O)c(O)cc1OCCCCCCC(=O)Nc1nn[nH]n1 13650591 TYKMSMNNNUGHCI-UHFFFAOYSA-N 375.429 2.638 0 1 GFAF O=C(CSc1nc2ncccc2[nH]1)N1CCN(Cc2ccc(F)cc2)CC1 206490158 NRUBWGULBYVQCM-UHFFFAOYSA-N 385.468 2.534 0 3 GFAF Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCCCC1)c(=O)n2C 1857604494 PCTWMWBDQSWVBE-UHFFFAOYSA-N 378.440 2.730 0 1 GFAF COc1ccccc1-n1c(O)nc2c(C(=N)NO)nc(-c3ccc(F)cc3)nc21 1857620379 MNTATAPSKXZRDQ-UHFFFAOYSA-N 394.366 2.640 0 1 GFAF COc1ccc(CC(=O)O[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1OC 1857760166 LAOJFWRNIASXBE-QFIPXVFZSA-N 398.503 2.778 0 1 GFAF Nc1c2c(nc3c1[C@@H](c1ccccc1)n1c(=O)c4ccccc4c(=O)n1-3)CCCC2 1857761180 FNIOZLJCIUGPPF-OAQYLSRUSA-N 396.450 2.960 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(F)c2)n1 2356288419 DCRZKRQXMFESSO-MTQWCTHYSA-N 387.499 2.603 0 1 GFAF O=C1C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H](c2ccccc2)C1 28712933 INAIPMPSUALWTD-SZPZYZBQSA-N 378.472 2.993 0 1 GFAF CCOC(=O)[C@@H](CCc1ccccc1)S[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O 28756419 JFGSPCGBBXYKKA-USXIJHARSA-N 393.505 2.748 0 1 GFAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2ccncc2)C=C1C 2356766609 QYJWSOTZMYGFBI-XUVXKRRUSA-N 387.524 2.819 0 1 GFAF CN([C@H]1c2cc(OCc3ccccc3)ccc2OC(C)(C)[C@H]1O)S(C)(=O)=O 36159883 WHSNUPSZOQRQAB-OALUTQOASA-N 391.489 2.730 0 1 GFAF CC(C)(C)c1cnc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)s1 71329263 NXEOQBXHDJRCJJ-UHFFFAOYSA-N 394.541 2.933 0 1 GFAF Cc1cc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)no1 45315586 LRZBUWUBWWKUDL-SJKOYZFVSA-N 382.468 2.767 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)NC2CCCC2)C3)cc1 95797464 MIGFEENCITXICD-PURBIHQZSA-N 397.519 2.733 0 1 GFAF O=C(C1CC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95873279 GJAAWTSXJPMCFX-VABKMULXSA-N 391.515 2.910 0 1 GFAF NC1=N[C@]2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1 149312929 ASXIBZVBBQRBMI-LJQANCHMSA-N 384.823 2.700 0 1 GFAF COCC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(C)C 95895494 NVFCAYMPVCEKMK-XPNTWCBSSA-N 382.504 2.653 0 1 GFAF O=C(c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)ccn1)N1CCCC1 96176089 WHLVDIQERJDUET-UHFFFAOYSA-N 392.459 2.621 0 1 GFAF C[C@H](O)c1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 653723656 XHFBXAVGWNFGKV-HNNXBMFYSA-N 382.460 2.677 0 1 GFAF O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587556533 AYQUTFUMLYGCPE-ZIAGYGMSSA-N 390.399 2.783 0 1 GFAF COc1cc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1C 587204209 WAEQPSHVDNZBQC-MRXNPFEDSA-N 383.404 2.802 0 1 GFAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(S)nc(S)nc3[nH]2)C(F)(F)C1 587132154 LJGDCAFALQBVTO-LURJTMIESA-N 389.453 2.900 0 1 GFAF N=C1O[C@@H](c2cccc(Cl)c2)C(NNS(=O)(=O)c2ccccc2)=C1O 5808786 MVXSDCURXVCFJJ-HNNXBMFYSA-N 379.825 2.641 0 1 GFAF Cc1c(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cnn1C 11700615 VRGUPTPSKZYNPY-QGZVFWFLSA-N 378.480 2.765 0 3 GFAF COc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1OC 13600497 XDSQBVUJQZZIHY-UHFFFAOYSA-N 376.416 2.977 0 1 GFAF CN1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1Cc1ccc2[nH]cc(CCN)c2c1 13603470 CDZQEYKISYUKPJ-FQEVSTJZSA-N 376.460 2.674 0 1 GFAF C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1C(=O)c1cccc2ccccc12 13804086 NABMABOVZOWDOV-BFUOFWGJSA-N 394.393 2.826 0 1 GFAF COc1cccc(C2=N[C@](C)(CC(=O)NCCOc3ccccc3)ON2C)c1 205221938 WCRXVMRZALUDFP-NRFANRHFSA-N 383.448 2.620 0 3 GFAF Fc1ccc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1 205265977 BINWPFGNFSEKRS-UHFFFAOYSA-N 375.411 2.631 0 1 GFAF O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CCCC2=O)ccc1F 1857762637 FVBVDWIZUYFNOB-UHFFFAOYSA-N 398.362 2.667 0 1 GFAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccc1C(F)(F)F 4845879 DDYHBIRITVNHTG-CJXOWJITSA-N 378.350 2.841 0 1 GFAF Cc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1 28710367 VTWANVOPNRMNQE-UHFFFAOYSA-N 395.507 2.671 0 1 GFAF CCCn1c(=O)c2nc(C3CC(C)(C)N([O])C(C)(C)C3)[nH]c2n(CCC)c1=O 101485404 ZKGPDIPRRXVHRF-UHFFFAOYSA-N 390.508 2.788 0 1 GFAF O=C(Nc1ccc(C(F)(F)F)nc1)C1=C(O)C[C@@H](Cc2ccccc2)NC1=O 100076054 MOYSORPUDJFEQR-CYBMUJFWSA-N 391.349 2.982 0 1 GFAF O=C(NCC(=O)N(CCO)C1CCCCC1)c1cc2cc(Cl)ccc2[nH]1 28137211 PMNZEIZAMSPOMZ-UHFFFAOYSA-N 377.872 2.705 0 1 GFAF Nc1ccccc1NC(=O)c1ccc(N2CCN[C@@H](Cc3ccccc3)C2)nc1 28824479 PTVZDUFMTBZMOQ-IBGZPJMESA-N 387.487 2.937 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356537610 YTKUUOVYXFLJGW-DNCKWRIDSA-N 378.465 2.897 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@@H]2C(=O)O)ccc1O 2356564946 JTHPLBUVRLOJBB-ZWKOTPCHSA-N 386.356 2.809 0 1 GFAF Cc1cc(C)nc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1 116981284 UZRHCNUDVUCVJT-CQSZACIVSA-N 393.495 2.802 0 1 GFAF CN1C[C@H](c2cn(C)cn2)[C@H]([C@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 2356686940 XYZPRKPYRIPTFB-HMXCVIKNSA-N 389.455 2.981 0 1 GFAF C[C@]1(CO)CCC[C@]2(C)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3 2356717226 KPUHAJPJYZHSQY-GMQQQROESA-N 386.444 2.980 0 1 GFAF CCO[C@@H](Cc1ccc(OCCN2CC=C(c3cnccn3)CC2)cc1)C(=O)O 45498796 QFNOFSYQAZZGQX-NRFANRHFSA-N 397.475 2.677 0 1 GFAF NC1=N[C@]2(CO1)c1cc(-c3ccc(F)nc3F)ccc1OC1(CCC1)C21COC1 220718564 GNSLGVRHWMTDBJ-OAQYLSRUSA-N 399.397 2.899 0 1 GFAF CCOC(=O)N1CCC(C)(CN2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1 95587942 XYJGESNOBLCYIX-SFHVURJKSA-N 385.508 2.909 0 1 GFAF COc1ccc(CN2[C@@H](CO)[C@@H]3c4ccccc4N(C(=O)NC(C)C)C[C@@H]32)cc1 95893896 PJHPMRRPGVCKKD-FDFHNCONSA-N 395.503 2.962 0 1 GFAF c1ccc(-c2nnc(-c3ccccn3)nc2NCCCN2CCOCC2)cc1 95566291 UBNLVEWPWBHDTP-UHFFFAOYSA-N 376.464 2.735 0 1 GFAF Nc1ccc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nc2c1 653716247 FQUBULOVCVRJCB-UHFFFAOYSA-N 390.369 2.712 0 1 GFAF COC(=O)C(=O)C[C@]1(c2cc(C)on2)CC(=O)c2ccc3c(c2O1)CCCC3 587522986 FUYZRKLQQZWWPO-NRFANRHFSA-N 383.400 2.855 0 1 GFAF COc1cc(C[C@@](C)(C(=O)O)n2ncc3ccc(Cl)cc3c2=O)ccc1O 587652896 NIBCEPKFMRAFSS-IBGZPJMESA-N 388.807 2.807 0 1 GFAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)C(C)C 586933293 PBGFAIJEAMSWAA-GOSISDBHSA-N 396.557 2.920 0 1 GFAF CCC(=O)Nc1ccccc1[C@]1(C(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433833 XILLZSUGZGQLBI-SZNDQCEHSA-N 381.384 2.771 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@@](CSCC(=O)O)(c3ccccc3)c3cccc1c32 963018999 DFEYBECPNKKGBH-SZNDQCEHSA-N 382.485 2.801 0 1 GFAF COC(=O)C1=C(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)NC=CN1 1772620581 SIRKOLJRQMFHFR-UHFFFAOYSA-N 386.411 2.638 0 1 GFAF CCNC(=O)Nc1ccc(-c2cc(N3CCOCC3)c3ncn(C)c3n2)cc1 1772651887 SUSKUMRSLQXQEU-UHFFFAOYSA-N 380.452 2.613 0 1 GFAF Cc1[nH]nc2c1[C@@H](c1ccc(Br)cc1)c1c(O)nc(O)nc1O2 1772573234 ZATSUJZRQNDZDL-SNVBAGLBSA-N 375.182 2.968 0 1 GFAF COc1c(OC(C)=O)ccc2c1C(=O)N1CCc3cc4c(cc3[C@@H]1C2)OCO4 5883343 DMUHZKPEYXYPKA-HNNXBMFYSA-N 381.384 2.645 0 1 GFAF biogenic C[C@]12CC[C@@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCNCC1 169714053 RLBFPICNIBRUCB-XNPXOOOUSA-N 385.552 2.691 0 1 GFAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2C(F)F)n1 1857586441 PIVYPGULKIJMMR-UHFFFAOYSA-N 385.374 2.812 0 1 GFAF CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc[nH]1 3416629 IDXLTKPUQNMXTC-OAHLLOKOSA-N 394.880 2.946 0 3 GFAF C[C@]1(O)CCN(C(=O)C2CC2)[C@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 2356289196 RCMSFDIDABRCBE-UWVAXJGDSA-N 376.522 2.858 0 1 GFAF O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)NCc1cccs1 100617818 VELYILJBMZHNDW-UHFFFAOYSA-N 397.485 2.943 0 1 GFAF N=C(N)c1ccc2c(c1)ncn2CC(=O)N1CCC(Cc2ccccc2)CC1 28086909 YKKYDLKWIDWCEH-UHFFFAOYSA-N 375.476 2.802 0 1 GFAF O=C(Nc1ccc(Br)cc1)N1CCNC[C@@H]1COc1cccnc1 114578885 ZWVAMLLYVVWRHA-OAHLLOKOSA-N 391.269 2.729 0 1 GFAF COc1ccc2nc(C)cc(-n3cc(CN4CCN(C(C)C)CC4)nn3)c2c1 64553191 AYIRDVGLGHKAIH-UHFFFAOYSA-N 380.496 2.659 0 1 GFAF CCOC(=O)COc1c(I)cc(C(C)(C)C)cc1CN 27846565 SUQVNLCMFFCUEJ-UHFFFAOYSA-N 391.249 2.989 0 1 GFAF CO[C@]1(C(C)C)NC(=O)[C@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1 2356721124 VEXWEGMVYLZHTN-JTSKRJEESA-N 393.443 2.531 0 1 GFAF COc1ccc2c(c1)[C@H]1C(=CCn3c(=O)n(-c4ccccc4)c(=O)n31)C(C)(C)O2 72141059 RFMRLVPKDQCEAF-IBGZPJMESA-N 391.427 2.510 0 1 GFAF CN1CCC[C@H]1COC(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 82084953 XARPQMHFKHONPG-AWEZNQCLSA-N 393.896 2.831 0 1 GFAF NCCCCCCCc1ccc(CCc2ccc(O)c(OC[C@H](O)CO)c2)o1 85624444 CPBHSCUXJWMWCM-GOSISDBHSA-N 391.508 2.954 0 1 GFAF biogenic,in-vitro COc1ccc(Nc2ncc(C3=CCOCC3)cc2-c2nc(C)nc(N)n2)cn1 95552548 IFIUXKIVTAKIHT-UHFFFAOYSA-N 391.435 2.775 0 1 GFAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(CCc3ccccc3)cc2)CC1 96172314 GPYRDBISUFJKAR-PKTZIBPZSA-N 377.532 2.691 0 1 GFAF CC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1 263620424 FJVVBMGXZMJPOI-UHFFFAOYSA-N 386.500 2.803 0 1 GFAF in-vitro CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C)ncc3F)C2)cc1 261183448 WPPIPDVMMRGECT-SUMWQHHRSA-N 387.459 2.537 0 1 GFAF CC(C)Cn1c(=O)n(C)c(=O)c2nc(O)c(Cc3cccc4ccccc34)nc21 299825302 BTUSRASQSIYIRD-UHFFFAOYSA-N 390.443 2.596 0 1 GFAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3Oc3ccccc3)c2s1 299826898 FGZVAJDSBWDSEF-BHYGNILZSA-N 386.473 2.918 0 1 GFAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@H]3C[C@@H]3F)n2)cc1OC(F)F 653680455 HUSJMLCNDKZUPC-BJDJZHNGSA-N 393.369 2.525 0 1 GFAF C[C@H]1C[C@@H](C)C(=O)[C@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963150761 SGBHZNZERNIJLA-WNZYQLMSSA-N 380.466 2.830 0 1 GFAF C[C@@]1(c2cc(NC(=O)c3coc(CF)n3)ccc2F)C=C(CF)OC(N)=N1 147599790 IJYGDLPFIPYGRW-KRWDZBQOSA-N 380.326 2.949 0 1 GFAF CO[C@@H]1CCCN(C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)C1 12431805 GPNVYWWBLQMRQS-MRXNPFEDSA-N 382.464 2.906 0 1 GFAF CC(C)(C)NC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1ccc2c(c1)OCO2 169304969 CKUCLLDIODRNKL-HXUWFJFHSA-N 396.443 2.792 0 3 GFAF COc1cc2nc(NCCCCCNC(=O)c3ccco3)nc(N)c2cc1OC 1622292 WYWGMFAYQYNASJ-UHFFFAOYSA-N 399.451 2.834 0 1 GFAF O=C(Nc1ccc(-n2ccnc2)cc1)C1=C(O)C[C@@H](Cc2ccccc2)NC1=O 100076049 JIFBGZWWWVPYRY-QGZVFWFLSA-N 388.427 2.754 0 1 GFAF CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4c(c3)CCO4)n2)c(=O)c1=O 101595805 YXKNRJOHAQUYHN-UHFFFAOYSA-N 379.420 2.705 0 1 GFAF CC1=Nc2nc(-c3cccc(C)c3)nn2[C@H](c2ccc3c(c2)OCO3)[C@@H]1C(N)=O 61960205 XPFCXFQBKFREGZ-QZTJIDSGSA-N 389.415 2.779 0 1 GFAF O=C(O)CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21 28818246 CCGBIWYBXDWOOH-MRXNPFEDSA-N 397.818 2.594 0 1 GFAF COCc1cc2c3c(c(N)c(Cl)c(N)c3n1)N(C)[C@@H]2SCCNC(C)=O 2356847185 OUNTUAWSUZHWIJ-QGZVFWFLSA-N 395.916 2.517 0 1 GFAF CC(C)n1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](C)N2 82207148 CTLQCJRQWMPHJZ-NSHDSACASA-N 398.385 2.916 0 1 GFAF COc1ccc([C@@H]2CC(c3c(O)c4ccccc4oc3=O)=NN2C(N)=S)cc1 49112685 OICPYRAIWUJFBX-HNNXBMFYSA-N 395.440 2.902 0 1 GFAF O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 226095114 IBVILTLGAFCWSS-VKJFTORMSA-N 393.422 2.874 0 1 GFAF CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc12 144971251 OZGPACKEDNQGSG-UHFFFAOYSA-N 387.465 2.633 0 1 GFAF O=C(O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2n1 143023250 XZOLXQXRMGCPAP-UHFFFAOYSA-N 386.795 2.586 0 1 GFAF CSc1nn(-c2ccccc2)c2cc(N3CCN(C4CNC4)CC3)ccc12 147344336 OKKCMCRTMPQJSI-UHFFFAOYSA-N 379.533 2.841 0 1 GFAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 261154294 PPIUQPLWFJXMKZ-MQMHXKEQSA-N 397.476 2.569 0 1 GFAF c1ccc(CN2CCC(N=c3[nH]c(N4CCCCC4)nc4[nH]cnc34)CC2)cc1 473112245 BRJFEZNYFONQKQ-UHFFFAOYSA-N 391.523 2.842 0 1 GFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc1 586950426 HAAAYCCOHKDZTB-UHFFFAOYSA-N 393.490 2.784 0 1 GFAF COc1cc(Br)c([C@H](N)c2nc3ccnc(OC)c3[nH]2)cc1OC 586974925 HCQMGVGNNNVMDJ-ZDUSSCGKSA-N 393.241 2.794 0 1 GFAF N[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586984603 TVJWOYBUWIWLEA-LLVKDONJSA-N 387.237 2.899 0 1 GFAF Nc1nccc2[nH]c([C@@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cc12 962983629 YYYJRJHLFQQLIG-DOMZBBRYSA-N 378.766 2.765 0 1 GFAF COc1cccc2cc3c(nc12)[C@@H](c1nc(Br)cnc1N)NCC3 963070303 SZEAIIFRCFWSIE-HNNXBMFYSA-N 386.253 2.613 0 1 GFAF Oc1nc2c(c3nc(-c4ccccc4F)nn13)CN(Cc1cccnc1)CC2 13824528 SUYHOIJUOMGGML-UHFFFAOYSA-N 376.395 2.589 0 1 GFAF COc1ccc(COC(=O)[C@H]2C(C)=NC(=O)N[C@@H]2c2ccc(O)c(OC)c2)cc1 169687900 JUVFMQWJTXLNII-RBUKOAKNSA-N 398.415 2.994 0 1 GFAF C/C=C1/CN2CCc3c([nH]c4cc(OC)ccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 153932669 BCRDPGDQDVFPNE-HMVGSCPASA-N 384.476 2.823 0 1 GFAF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)c2nn[nH]n2)cc1O 1857607093 KRNHFUHRUBLQLF-QPEQYQDCSA-N 384.392 2.529 0 1 GFAF Cc1cc(=Nc2nc(C[C@@H](C)NC3CC(C)(C)NC(C)(C)C3)ns2)[nH]o1 1857765852 MSUHYZRTNZELSO-LLVKDONJSA-N 378.546 2.830 0 1 GFAF C[C@H]1COCCN1c1nc2c(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)cccc2o1 101372631 RBULLMHVZYBTHL-USXIJHARSA-N 398.507 2.798 0 1 GFAF COc1ccc(N2C(=O)[C@@H]3OCCC[C@H]2C(=O)N3c2ccc(OC)cc2)cc1 27766955 SLZYCEPEONMNJL-RXVVDRJESA-N 382.416 2.589 0 1 GFAF CC(C)N1CCCN(C(=O)C2CC3(CCN(C4CCOCC4)CC3)C2)CC1 103243043 SHVDNEZMJZBGTB-UHFFFAOYSA-N 377.573 2.600 0 1 GFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2cccnc2)O3)c1 61897063 GHZAWRMSNFFUNE-HXUWFJFHSA-N 388.427 2.722 0 3 GFAF C[C@H](O)[C@@H]1C(=O)CC2=C(CC[C@@]3(C)[C@@H]2CC[C@H]3C(=O)CO)[C@]1(C)CCC(=O)O 2356537317 NZZKRFFFUVCLAB-IXVLOXJPSA-N 392.492 2.512 0 1 GFAF COC(=O)[C@@H](C(=O)OC/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1 64633842 IOZRSGUDLCETGJ-YOCVDRLZSA-N 388.441 2.567 0 1 GFAF in-vitro COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC)cc1O 15271767 HUCUBQBJTIMKKN-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1 71317108 LYZVYVLSMGRTPB-UHFFFAOYSA-N 389.423 2.596 0 1 GFAF C[C@@H](CC(=O)O)N1Cc2ccc(NC(=O)CCCC3CCNCC3)cc2C1=O 72105032 JXCMMMJBHLWVLH-AWEZNQCLSA-N 387.480 2.614 0 1 GFAF COc1cc(O)c2c(c1)/C=C/CC(=O)OCCOC(=O)CCC[C@H](C)OC2=O 40394322 OSKKLULYFAZOGL-BPJJOFIESA-N 392.404 2.620 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCc2ccccc2N)co1 82073736 QNGQIUUDJJWOPE-UHFFFAOYSA-N 378.432 2.621 0 1 GFAF CC(=O)NCCn1c(-c2ccoc2)nc2c(NCc3cccs3)ncnc21 82190295 HAYSWROXPDVXSQ-UHFFFAOYSA-N 382.449 2.896 0 1 GFAF CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 96941808 VCQWQXSPNPZWQZ-HXUWFJFHSA-N 386.467 2.899 0 1 GFAF O=C(Nc1ccc(-n2cncn2)c(F)c1)Nc1nnc(-c2ccncc2)s1 96284283 JHBYLWIAIDQDIC-UHFFFAOYSA-N 382.384 2.964 0 1 GFAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H]1CCCO1 299821181 ZCAJSDJHROYKRV-XGUBFFRZSA-N 393.915 2.835 0 1 GFAF Cn1cccc1C(=O)N1CCN2C(=O)c3ccncc3[C@@]21c1ccc(Cl)cc1 299871105 XTGQCIITASURIH-NRFANRHFSA-N 392.846 2.886 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(NCC(=O)OCC)nc1)CC2=O 587467672 BLILTTZPQDLXRD-QGZVFWFLSA-N 385.420 2.816 0 1 GFAF CCOC(=O)CC[C@]1([C@H](C)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599683 YUUMJMGONLYQDV-LTBCBRHQSA-N 386.400 2.817 0 1 GFAF COc1cccc2cc3c(nc12)[C@@](C)(c1cccc(OCC(N)=O)c1)NCC3 963056744 MLCSZODYJPCRKR-JOCHJYFZSA-N 377.444 2.517 0 1 GFAF Cc1ccnc2c1CCN[C@]21c2ccccc2NS(=O)(=O)c2ccccc21 963072471 RYQIVYFKPLAFGQ-NRFANRHFSA-N 377.469 2.942 0 1 GFAF O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CCC(CO)CC1 1772587360 NGVLYIPQNWRHAF-UHFFFAOYSA-N 375.432 2.951 0 1 GFAF COCCCNc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)n1 13561000 AAMBBQYZAVUDRL-UHFFFAOYSA-N 383.427 2.765 0 1 GFAF CCOC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169302186 NKVDDHHSNMJOSL-CROMWVBPSA-N 392.455 2.767 0 1 GFAF FC1(F)CCC(N2CC3(CN(Cc4ccccc4)C[C@H]4COCCN43)C2)CC1 2356311799 HMAKCNQFMYAIEC-FQEVSTJZSA-N 391.506 2.835 0 1 GFAF O=C(O)CSc1nc2ccsc2c(=O)n1CC1CCC(C(=O)O)CC1 6918892 PTFMHKHCIUQJKK-UHFFFAOYSA-N 382.463 2.526 0 1 GFAF CCCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 27517960 UJLQXRDAELLZDA-UHFFFAOYSA-N 394.431 2.644 0 1 GFAF COc1ccc(C=CC(=O)NCCCCNC(=N)NCC=C(C)C)cc1OC 2356551807 SZQNZZPMXSFUDT-UHFFFAOYSA-N 388.512 2.694 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@]4(CCN(C)C4)C3)c(F)c21 26380555 GCDRHQXDOFPHAI-FQEVSTJZSA-N 391.418 2.530 0 1 GFAF CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C)CC(=O)N12 15954695 CONFCMCCTXKQDG-GCJKJVERSA-N 389.455 2.881 0 1 GFAF biogenic COc1cncc(-c2cccc([C@]3(c4ccsc4)N=C(N)N(C)C3=O)c2)c1 72177495 PDTDVARFGYKUMS-HXUWFJFHSA-N 378.457 2.849 0 1 GFAF O=S(=O)(c1ccc(Cl)cc1)N1CCc2n[nH]cc2[C@@H]1c1nccs1 49069618 OGBXQEIQBNWCPQ-CQSZACIVSA-N 380.882 2.856 0 1 GFAF CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cn4)nc32)[nH]n1 43200603 CEDQYWYBSMPQAF-HNNXBMFYSA-N 397.414 2.610 0 1 GFAF CC(=O)NCCNc1nc2sc(-c3ccc(F)cc3)nc2c2c1ncn2C 40430256 VNALGUCXZDFIMG-UHFFFAOYSA-N 384.440 2.932 0 1 GFAF Cc1cc2c(cc1C)[C@@]13CCN(C)CC4=CCO[C@H]5CC(=O)N2[C@H]1[C@H]5[C@H]4CC3=O 238761997 FLBVMURVUYAZMG-SHWJQXDKSA-N 392.499 2.526 0 1 GFAF CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)COC)n2c1COCC2)c1ccccc1 143929728 WVOYBNIXHDYGAY-CRAIPNDOSA-N 399.491 2.664 0 1 GFAF CCN(C[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O 95871987 ZUDIINIBMRPOJK-YTFSRNRJSA-N 380.488 2.897 0 1 GFAF CC(C)[C@]1(O)CC[C@]2(C)C[C@H](O)[C@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 31168037 QCLJCHLNAUUSNX-IVDWBNGSSA-N 392.492 2.627 0 1 GFAF biogenic CCCCCC(=O)O[C@@H]1C=C2C(=O)OC[C@]2(O)[C@]2(C)CC[C@H](O)C(C)(C)[C@@H]12 607857391 CCTUVGJRXQPMOJ-GAWMMQFTSA-N 380.481 2.510 0 1 GFAF biogenic O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 299886285 WXORIUAHAIUONU-NLWGTHIKSA-N 377.444 2.563 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@@H](C)C(=O)OCC)CC2=O 587476840 AZYMELCGKRYVTH-FKIZINRSSA-N 378.421 2.811 0 1 GFAF O=C(O)[C@H]1CC[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603928 QDDUCZWAJKQLAT-XPFPRRSISA-N 398.367 2.678 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(CO)ccc3F)[nH]c2c1 587141156 YLFNBCZVXYQHPB-UHFFFAOYSA-N 377.441 2.940 0 1 GFAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586984526 SBEJIMSDJGLZRL-ZDUSSCGKSA-N 384.241 2.544 0 1 GFAF COC(=O)c1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2n1 587039933 XUMCJDPKOPCBBV-UHFFFAOYSA-N 376.398 2.610 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(C(=O)O)cn2)N1 587774584 WRSPHGYIGLIQQK-ZKANADHPSA-N 380.217 2.874 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587515701 ORQJKYRBVFYZLQ-JOCHJYFZSA-N 396.443 2.600 0 1 GFAF CC(=O)[C@@H](C)N(CC(F)(F)F)C1=C[C@@H]2C(C(F)(F)F)=CC(=O)N[C@@H]2C=C1 169362769 FZELBRBDZPJUMZ-XTWCZFFVSA-N 382.304 2.885 0 1 GFAF O=c1[nH]c(O)c(-c2cc(Cl)ccc2S(=O)(=O)Nc2ccc(F)cc2)[nH]1 169712820 XLZXKIOMTGCMLO-UHFFFAOYSA-N 383.788 2.669 0 1 GFAF CCCNC(=O)[C@@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 8473959 IWUOAJHLBOUPKG-VGOFRKELSA-N 396.491 2.754 0 1 GFAF biogenic CN(C)CCc1c([C@H](c2c[nH]c3ccccc23)[C@H](O)CO)[nH]c2ccc(O)cc12 103241720 KYYGLQFKUQDRLE-FGZHOGPDSA-N 393.487 2.944 0 1 GFAF C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H](CNCC)C3)c(F)c21 25963571 QDHPRAPAONIUPQ-NSHDSACASA-N 377.391 2.514 0 1 GFAF N[C@@]12CC[C@@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 29128999 JARIXOMLQISROZ-ZLIFDBKOSA-N 382.938 2.955 0 1 GFAF CC[C@@H](C)C(=O)OCc1cc(=O)c2c(OC)c3c(cc2o1)O[C@@H](C(C)(C)O)C3 2356592932 PWIKXCTUBPEPCB-PIGZYNQJSA-N 390.432 2.965 0 1 GFAF CO[C@@H]1C[C@](C)(NC(=O)c2ccccc2)[C@](O)(C(=O)c2ccccc2)[C@H](C)O1 2356699378 QATRQQPVLUNGNR-ZQJQTPFGSA-N 383.444 2.570 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@H]2CN(C)CCc3c([nH]c4ccccc34)C(=O)C[C@H]12 14655454 RODCMQNDIKIJPO-XOKHGSTOSA-N 382.460 2.937 0 1 GFAF biogenic CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC(O)CC3)n2)cn1 211037303 SEWSVZNGUQAMFX-UHFFFAOYSA-N 389.463 2.660 0 1 GFAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccco2)C1 82224923 JCEBGHMVNZYVIH-HOCLYGCPSA-N 399.495 2.935 0 1 GFAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1CCCn1ccnc1 199231935 CZZFAKDWWQSHSE-HXUWFJFHSA-N 386.521 2.863 0 3 GFAF Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(S(N)(=O)=O)c1 147766169 DSRGLCZJLTWWFA-UHFFFAOYSA-N 395.289 2.750 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587610146 PGSDPVDPRKIEQZ-AVBTWRTFSA-N 384.384 2.692 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587836160 RYCBLAIREJOCAA-ZMNCSTGQSA-N 386.261 2.917 0 1 GFAF CC1=C(c2ccc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c3c2)NNC(=O)C1 587119324 WEWOXDWMEAWDCG-UHFFFAOYSA-N 390.369 2.776 0 1 GFAF COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587515702 ORQJKYRBVFYZLQ-QFIPXVFZSA-N 396.443 2.600 0 1 GFAF CN(Cc1nc2ccc(C(=O)O)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929554 XQHKAQMSNWSCHY-UHFFFAOYSA-N 379.825 2.735 0 1 GFAF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587610518 YBNJGEJPVBXDDX-XLIONFOSSA-N 397.408 2.894 0 1 GFAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(O)nc(O)nc3[nH]2)c1 587146965 CZLAQJNSCRTKHH-UHFFFAOYSA-N 396.334 2.944 0 1 GFAF CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(=O)oc2ccc(Cl)cc12 1772625889 FKNRFYNPFPZEEH-OAHLLOKOSA-N 378.837 2.802 0 1 GFAF N[C@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC[C@@H]1F 205260933 XWSXADANHDIBHB-HOTGVXAUSA-N 389.438 2.957 0 1 GFAF Cc1nnc2ccc(C(=O)NC3CN(c4ccc(OC(F)F)nc4)C3)cc2c1C 1857567928 SXMYBZUAZDPOJD-UHFFFAOYSA-N 399.401 2.862 0 1 GFAF NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(Cl)ccc1N 3654267 IJIHLBAVXKPDGA-UHFFFAOYSA-N 384.244 2.989 0 1 GFAF O=C(Cc1cccc2ccccc12)Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1 103199395 VMQFAPJWYMVQGW-IBGZPJMESA-N 390.464 2.903 0 1 GFAF CC(C)Oc1cccc(CN(C(=O)c2cn(C)cn2)[C@@H]2C[C@@H]3CNC[C@@H]3C2)c1 101322126 UTNWHVZSHUCJTA-REPLKXPHSA-N 382.508 2.848 0 1 GFAF CCN1C(=O)[C@]2(N=c3ccccc3=C3Nc4ccccc4N32)c2cc(OC)ccc21 104028278 YHWVHLYTVBZSHW-DEOSSOPVSA-N 396.450 2.546 0 3 GFAF FC(F)(F)Oc1cccc(Nc2cc(NCCN3CCOCC3)ncn2)c1 64548627 HTIFKAYTFQZTDB-UHFFFAOYSA-N 383.374 2.863 0 1 GFAF CCCO[C@@]12C[C@H]3C4=CCO[C@@H]5CC(=O)N6c7ccccc7[C@]1(CCN2C4)[C@H]6[C@@H]53 2356542983 HSSPPKUPUVYOBZ-NHNVZFBCSA-N 392.499 2.847 0 1 GFAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cn1 61905376 BEIUFFZPKMCQAJ-GOSISDBHSA-N 391.383 2.823 0 3 GFAF O=C(c1nc[nH]c1C(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1 36388082 VAFKURCVPULLJY-UHFFFAOYSA-N 386.455 2.807 0 3 GFAF O=c1c(O)c(CN2CCN(Cc3ccccc3)CC2)ccn1Cc1ccccc1 38836444 YIROCWNERWBGFO-UHFFFAOYSA-N 389.499 2.920 0 1 GFAF COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cc(OC)cc(OC)c3)n2)C1 82081554 LGJUUUDVDMGFPO-LBPRGKRZSA-N 390.461 2.853 0 1 GFAF Nc1nc(OC2CCN(c3cc(Oc4ccccc4)ncn3)CC2)ncc1F 49793154 UVYXGIKORJAKAT-UHFFFAOYSA-N 382.399 2.828 0 1 GFAF CCC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95895222 SESYIFBSAZWGOZ-QZNHQXDQSA-N 392.499 2.945 0 1 GFAF COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@H]2O)cc1C(N)=O 299867244 XTQLBCNBWJJAFO-NQUDRAQSSA-N 399.443 2.668 0 1 GFAF Cn1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587339925 GXTJFQHZGIPARG-YLJYHZDGSA-N 382.347 2.604 0 1 GFAF COc1cc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2cc1OC 587024411 ZCXYQRQQUJQKCY-UHFFFAOYSA-N 391.453 2.791 0 1 GFAF C[C@@]1(CN2C(=O)CCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339853 FXHIMELGGURKBS-CTNGQTDRSA-N 383.375 2.798 0 1 GFAF COc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cn1 587188777 WNHXTWHCKNTLTI-UHFFFAOYSA-N 391.172 2.886 0 1 GFAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586922763 ZLHCGJWHEYLWHF-UHFFFAOYSA-N 376.335 2.569 0 1 GFAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(=N)[nH]cc2[nH]1 586938293 QAAXWFBQVLIYMD-OAHLLOKOSA-N 379.873 2.699 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 962906787 QZTXENVLHCAQOP-GUYCJALGSA-N 380.297 2.639 0 1 GFAF O=C(NCc1cn2ccccc2n1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12439073 JYNKIGMRSRWUKT-MRXNPFEDSA-N 380.423 2.528 0 3 GFAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Br)N(C(N)=O)C(=O)N1 13820444 CUFVZMKVSMNLPY-CYBMUJFWSA-N 396.241 2.820 0 1 GFAF COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646738 GDOAQHHMFNQXLJ-LSDHHAIUSA-N 384.384 2.727 0 1 GFAF endogenous,in-man COC(=O)[C@@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169365506 FIRCNUMGFTTXGC-VWXURSGXSA-N 398.846 2.722 0 1 GFAF C=Cc1c(N)ncnc1N1CCN([C@H](CN)c2ccc(C(F)(F)F)cc2)CC1 206938251 CRRPJTULCQOFOC-MRXNPFEDSA-N 392.429 2.543 0 1 GFAF O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)Nc1nccs1 1857638269 HKKGSVPQUVBTSK-UHFFFAOYSA-N 396.472 2.932 0 1 GFAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)CCN3S(C)(=O)=O 149558569 ZZTWFTQTMVOPEW-UHFFFAOYSA-N 388.420 2.921 0 1 GFAF CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 769728 HDOZSERUZGQMQB-CTNGQTDRSA-N 395.503 2.979 0 1 GFAF COc1cccc(-c2nn(C)c3sc(C(=O)N4CCC(C(N)=O)CC4)cc23)c1 6771376 CCUDFVMEQNBRCP-UHFFFAOYSA-N 398.488 2.648 0 1 GFAF O=C(O)c1cn(C2CC2)c2c(F)c(N3C[C@H]4CCC[C@@H]3CN4)c(F)cc2c1=O 9133109 RHGPNNXNRMVUCV-ZYHUDNBSSA-N 389.402 2.644 0 1 GFAF CN(C)CCn1nc2n(c1=O)-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27329102 UYHXSVNKVANDNT-UHFFFAOYSA-N 381.867 2.600 0 1 GFAF O[C@](CSC(=S)N1CCCCC1)(Cn1cncn1)c1ccc(F)cc1F 103264731 LRSSQQIBPYRVMN-KRWDZBQOSA-N 398.504 2.948 0 1 GFAF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(Cc3cccnc3)CCN21 2356302813 CNASCUJHZAGLDB-GOSISDBHSA-N 382.483 2.642 0 1 GFAF Cc1ccc(S(=O)(=O)NN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 26274027 OLAWHUUQLADGRD-UHFFFAOYSA-N 390.486 2.662 0 1 GFAF CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCCCc1ccncc1 100043455 JMLRFOPJGOEVRD-OKZBNKHCSA-N 386.492 2.942 0 1 GFAF Cc1cc(OC[C@@H](O)CCN2CCN(c3ccccn3)CC2)ccc1Cl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c1ccc2c(c1)CN1CC(=O)N=C1N2)c1ccccc1 26954590 IZOOGGURDMZSGV-UHFFFAOYSA-N 378.432 2.632 0 1 GFAF CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccncc32)c1C 73196042 WGKBSFTYHSLPIC-PTNGSMBKSA-N 381.480 2.591 0 1 GFAF Oc1ccc(C[C@@H]2CN[C@H](Cc3ccc(O)c(Br)c3)CN2)cc1 73312129 AFTSJTDIEXNESJ-HUUCEWRRSA-N 377.282 2.576 0 1 GFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)n1 218835219 VKDRGGCFNJISDJ-SSDOTTSWSA-N 394.382 2.739 0 1 GFAF NC1=N[C@@](c2cc(NC(=O)c3ccccn3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226080997 NYTZYMHDMQJGQV-UCMVZMLTSA-N 376.338 2.667 0 1 GFAF CCc1nc(C(=O)NCc2ccc(C(=O)OC[C@H]3CCCN3C)cc2)cs1 82069909 YEOZVOKMCXDDKG-MRXNPFEDSA-N 387.505 2.887 0 1 GFAF COc1ccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3[C@@H](C)O)n2)c(F)c1 221906465 DQUGIFZLFAYLDQ-FEUHOPSXSA-N 394.378 2.643 0 1 GFAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(CC3CCOCC3)C2)N1Cc1nccs1 95668474 NWVDEXWWUNWEQE-TZIWHRDSSA-N 399.560 2.584 0 1 GFAF OC[C@H]1[C@@H](c2ccccc2)C2(CN(Cc3nccs3)C2)N1Cc1ccncc1 95661933 ARQRJZHJOOTXRU-PZJWPPBQSA-N 392.528 2.753 0 1 GFAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CC1 95895602 AARISULFZWERSM-BDTNDASRSA-N 396.462 2.694 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)c3ccccc3)C23CN(C(C)=O)C3)cc1 95794879 QUMZEVBEPXTPSY-SZPMNYNDSA-N 390.483 2.921 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CN(C)C(C)=O 95894976 ZJHAFCAAIJLNFJ-XJUOHMSHSA-N 380.488 2.897 0 1 GFAF COc1ccc(Cn2cnc3c2C(=O)NC[C@H](OC)N3Cc2ccccc2)cc1 96917333 XZTGGOGLZUIDPD-IBGZPJMESA-N 392.459 2.663 0 1 GFAF Clc1cnc(Nc2ccc(N3CCNCC3)cc2)nc1NC[C@@H]1CCCO1 299852310 QEIBQCGEIITGSB-INIZCTEOSA-N 388.903 2.874 0 1 GFAF CCCCC[C@]1(CC(=O)N[C@H]2CCOC2=O)CC(=O)c2cc(C)cc(N)c2O1 587387344 PFIFFTANBUMDBP-HRAATJIYSA-N 388.464 2.683 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C(O)O)N1 587730708 KCZBUVADGLAHED-VVVCHXIZSA-N 384.220 2.816 0 1 GFAF NC(=O)NCCC[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587260119 QRKPIDVCNQEGAA-ZETCQYMHSA-N 394.195 2.793 0 1 GFAF C[C@@H]1CN(c2ccc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cn2)C[C@@H](C)O1 962897473 CWXDXBGMVWQHKJ-VKCQTPNSSA-N 385.439 2.523 0 1 GFAF O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)Nc2ncccn2)cc1 5889651 MVDHSKWXTPNMFX-UHFFFAOYSA-N 384.442 2.643 0 1 GFAF O=C(c1cccc(-c2ccccc2F)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 12480143 JACJKHHCUKDYDL-FGZHOGPDSA-N 398.478 2.525 0 3 GFAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@]23O)ccc1O 14506016 JDOYVXXEQQTICM-AVQSHMDHSA-N 388.416 2.608 0 1 GFAF endogenous,in-man CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12 16042740 LUZBZTTVHIEOPE-BLVKFPJESA-N 375.421 2.740 0 1 GFAF biogenic Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C 169308334 FOVSNASTDPXXSC-UONOGXRCSA-N 383.500 2.828 0 1 GFAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C[C@@H]2OC(=O)[C@]4(C)C(=O)CC[C@@]3(C)[C@H]24)CO1 2356442688 MMALGGPAFYVCCV-LWINJFTLSA-N 378.465 2.624 0 1 GFAF CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CC5)C[C@@H]3N4)cc2)cc1 100101648 CZYXHVQUPUFVBL-ZBYYUNFXSA-N 389.499 2.732 0 1 GFAF O=C1NC(=O)/C(=C/c2ccc(OC[C@H]3CN(c4ccccn4)CCO3)cc2)S1 26573801 XMNRXAOOSVSAOO-FEEIMYBTSA-N 397.456 2.690 0 1 GFAF CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)N(CC)CCN(C)C)cn12 61904187 ISBHYQKOEPYYDA-UHFFFAOYSA-N 387.528 2.819 0 3 GFAF CNCCNCc1cccc2c1[C@]1(O)CCc3c(c4cc(OC)ccc4n3C)[C@@H]21 26575667 PVRCTIJZBSMYED-DNQXCXABSA-N 391.515 2.775 0 1 GFAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](O)C3 2356706195 WQQALAOCZONREL-NVJCIWSJSA-N 376.493 2.941 0 1 GFAF CC=C[C@@H]1C=C2C=C[C@@H]3C[C@H](C)CC[C@@H]3[C@]2(C)C(=O)[C@]12C(=O)N[C@H]([C@H](C)O)C2=O 2356839825 LYRFDYFCOSNCHT-BTFAGJNUSA-N 397.515 2.751 0 1 GFAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccc(C)cc1 35847246 AVOVERVPDMHXIG-LJQANCHMSA-N 384.457 2.765 0 1 GFAF COc1cc(CN2C(=O)CCc3cccc(OC)c32)cc(N2CCNCC2)c1 38192589 IECXWZOYFFECOI-UHFFFAOYSA-N 381.476 2.593 0 1 GFAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]45O[C@H]4C(O)=C(C(N)=O)C[C@]5(C)[C@H]3CC[C@]12C 49836446 FZSGGHGGAOXTIP-FXEQZMKXSA-N 389.492 2.999 0 1 GFAF O=C(N[C@H]1CCC[C@@H](C(=O)N2CCOCC2)C1)NC12CC3CC(CC(C3)C1)C2 84758401 WOWHTGZSYYPCMC-COZJESOBSA-N 389.540 2.672 0 1 GFAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2(O)CC2)cn1 141755602 DERLWJKVSFUZRZ-UHFFFAOYSA-N 379.416 2.879 0 1 GFAF CCC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895223 SESYIFBSAZWGOZ-QNWVGRARSA-N 392.499 2.945 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]1CNC(C)=O 95894810 QIJQIIIFPLFXFT-KCZVDYSFSA-N 384.451 2.694 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3[C@](C)(O)[C@H]12 238737544 UQVRSNOOFJMHDB-VZMPADCWSA-N 382.460 2.540 0 1 GFAF CCC(=O)N1[C@H](CNC(C)=O)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CO 95895087 QIJQIIIFPLFXFT-RZUBCFFCSA-N 384.451 2.694 0 1 GFAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587201147 HQPHPSKTPKPHTG-UHFFFAOYSA-N 396.513 2.791 0 1 GFAF O=C1C[C@H](c2cnn([C@H]3CCS(=O)(=O)C3)c2)Oc2c1ccc1c2CCCC1 587529567 ADXHYVLPVVWQOZ-HNAYVOBHSA-N 386.473 2.828 0 1 GFAF COc1cc2c3c(c1)O[C@@](CN1CCOCC1)(c1ccccc1C)[C@@H](C2)C3=O 587445327 VATAWCRTZGCQSG-CVDCTZTESA-N 379.456 2.979 0 1 GFAF Cc1cnc(Cl)c2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587202384 HUIUYBGHYUPXNY-LBPRGKRZSA-N 388.811 2.842 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NS(C)(=O)=O)c(F)c1)O2 587380586 AVIJGSWVEKLBGX-SFHVURJKSA-N 378.425 2.968 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1ccc(OCC(=O)N(C)C)cc1 963610185 OJXUGSZOWLRHHW-WNSKOXEYSA-N 398.503 2.969 0 1 GFAF COc1cc2c(cc1OC)[C@]1(CS(=O)(=O)Oc3ccccc31)N(C)[C@@H](C)C2 962565536 HSJGZUXCZOQFSC-RNODOKPDSA-N 389.473 2.546 0 1 GFAF C[C@@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)c1ccc(NS(C)(=O)=O)c(F)c1 113489547 ASNQVMHBDVDGAL-LLVKDONJSA-N 396.488 2.638 0 1 GFAF COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@H]2c2ccc(O)c(OC)c2)cc1 169687901 JUVFMQWJTXLNII-MOPGFXCFSA-N 398.415 2.994 0 1 GFAF COc1cncc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-n2cccn2)n1 166595679 SRICRIMAFDRKIO-INIZCTEOSA-N 393.447 2.933 0 1 GFAF O=C(O)c1ccc2c(c1)C[C@](NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2 167865022 FIPXNIPYVQISBZ-QFIPXVFZSA-N 379.412 2.616 0 1 GFAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 772820 QYZZSINNHNEXJF-VMRPVKRXSA-N 398.459 2.683 0 1 GFAF O=C(Nc1ccccc1CO)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4163941 DMNBECYCCSWFJE-VZJWBNGJSA-N 388.423 2.743 0 1 GFAF CC(=C[C@H](C)C[C@@H](C)c1ccc(C)cc1C=CCO)C(=O)N[C@H](CO)C(=O)O 2356365591 OLHMPWBLHDQGDT-JXXFODFXSA-N 389.492 2.638 0 1 GFAF CCOC(=O)CCNC(=O)n1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 29054469 VOPOWBXKARSLGZ-UHFFFAOYSA-N 399.378 2.820 0 1 GFAF COc1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cn1 64559258 OQLWIFUGUHGCFO-LBPRGKRZSA-N 383.477 2.630 0 1 GFAF CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCC 26737149 GWLZMBFVBYHGBD-ROUUACIJSA-N 391.512 2.749 0 1 GFAF COc1cc([C@H]2C3=C(COC3=O)Nc3c2cc(OC)c(OC)c3OC)ccc1O 71319149 DPAGJRPMLSWORM-MRXNPFEDSA-N 399.399 2.795 0 1 GFAF C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1c(F)cccc1F 72124569 HQFAKOFDCPYPMP-GOSISDBHSA-N 383.416 2.731 0 1 GFAF O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2[nH]1 40950605 GUXCOLKEGMSMNM-UHFFFAOYSA-N 382.401 2.844 0 1 GFAF Cc1ccc([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)nc1 147307877 KPUOLIHZAPNOOC-MOQPCRHWSA-N 383.492 2.996 0 1 GFAF COc1ccc(Nc2nc3c(C4=CCN(S(C)(=O)=O)CC4)cccn3n2)cc1 147042226 STGHZPGFCOXZTG-UHFFFAOYSA-N 399.476 2.530 0 1 GFAF Nc1ncnc2c1c(-c1cccc(OCCO)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1 653745112 DNHCGOVYZZILMW-WOVMCDHWSA-N 393.491 2.708 0 1 GFAF CCS(=O)(=O)c1ccc2nc(-c3ccccc3S(=O)(=O)CC)[nH]c2c1 586922745 RYQBCTDYVLLFLL-UHFFFAOYSA-N 378.475 2.817 0 1 GFAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587938571 XOCGSWXTYXGGJI-KZULUSFZSA-N 389.477 2.659 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccncc1)CC2=O 587491545 VBPHEMLZNQCUDM-NRFANRHFSA-N 383.400 2.733 0 1 GFAF COc1cc(C(=O)NCc2cccc(C(=O)N(C)C)c2)ccc1-c1cn[nH]c1 1772599690 ZAKZLDCJGVOUQE-UHFFFAOYSA-N 378.432 2.717 0 1 GFAF CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3cncs3)c3ccccc13)C2 1772590126 ROQQDFDIRFHQTE-HUUCEWRRSA-N 382.489 2.678 0 1 GFAF Cc1ccc(C)c(CN2CCC3(CC[C@H](CNC(=O)c4ccnn4C)O3)CC2)c1 11910389 VHUKNBSXJBTMJN-HXUWFJFHSA-N 396.535 2.981 0 1 GFAF CO[C@@H]1CC(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@H](O)CC=C(C)C)[C@H]1O 206820093 SOFBPMULDJOALM-TUWZWUIJSA-N 376.449 2.783 0 1 GFAF COc1ccc(Nc2ncc3c(n2)n([C@H]2CC[C@H](O)CC2)c(=O)n3C)c(C)c1 1857600906 MFVOIPKDSOFMQO-HDJSIYSDSA-N 383.452 2.667 0 1 GFAF COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 917783 YSUCNGMRMPFCKW-UISNTFNSSA-N 394.471 3.000 0 1 GFAF CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCO 4152148 VYVABIRISYAYGC-TZIWHRDSSA-N 398.459 2.684 0 1 GFAF CC(=O)NCCC[C@H]1OC[C@H](Oc2ccc(OCc3ccccc3)cn2)CO1 101381550 SWCJEMIHSBXCCO-TYKWCNGQSA-N 386.448 2.697 0 1 GFAF Cc1ccc(N2CCc3ncnc(N[C@H](CCO)c4ccc(C)nc4)c3C2)nc1 115001547 SSNDZSZPTDFBHC-LJQANCHMSA-N 390.491 2.982 0 1 GFAF CC(C)(O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)cc1 113193171 NJXKFIOLXCRUCQ-UHFFFAOYSA-N 396.491 2.946 0 1 GFAF COc1ccccc1OC[C@@H](CNC(=O)Oc1ccc(NC(C)=O)cc1)OC 27321610 KJFVDCSVSFQOPY-QGZVFWFLSA-N 388.420 2.836 0 1 GFAF COc1cc([C@H](OC)[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 2356510742 KDVJSVPEOZSZGS-RPQNVMPDSA-N 390.432 2.799 0 1 GFAF CC(=O)OC[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3 2356646999 XAWLPRCYLCCVFP-YNZNZNCASA-N 394.508 2.751 0 1 GFAF C[C@H](C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C)c2)ncc1Cl 211113540 JAHMDTQVHMQVJF-LBPRGKRZSA-N 384.871 2.981 0 1 GFAF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1cccc(F)c1 72137848 BTPWKORIVWPLDC-UHFFFAOYSA-N 397.454 2.927 0 1 GFAF CCCCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 82081348 JWBVBVRLUUKFTO-OAHLLOKOSA-N 399.447 2.839 0 1 GFAF O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 82209450 LMVAXTBGGCCAMZ-KRWDZBQOSA-N 394.500 2.957 0 1 GFAF Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CC[C@H](O)C3)cc2F)cn1 224747416 OOTFKMSHEUFPGZ-HNNXBMFYSA-N 378.407 2.739 0 1 GFAF O=C1O[C@@H](O)C(c2cccc(C(=O)NCc3ccccc3)c2)=C1Br 84688143 FBKMYPJMOGFCCG-QGZVFWFLSA-N 388.217 2.598 0 1 GFAF CCCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc(C)c2)n1 82146100 UBXIAVVAYUOMGZ-UHFFFAOYSA-N 395.507 2.968 0 1 GFAF CNC(=O)c1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 147814882 VCFDCBCCVOAOQD-CZUORRHYSA-N 390.443 2.560 0 1 GFAF CCCNC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1 95895733 HCPOJXUXGPDORV-HBMCJLEFSA-N 395.503 2.707 0 1 GFAF CN1CCN(C/C=C/Cn2c(C(F)(F)F)cc(=O)c3cc(F)ccc32)CC1 96909952 LXLZZYOFWHPLAZ-NSCUHMNNSA-N 383.389 2.963 0 1 GFAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]([C@H](O)C(=O)[C@@H](C)[C@]2(O)CCc2ccoc2)C1(C)C 96085915 RWOAGXCXGZWXLF-VCOBGZKZSA-N 392.492 2.897 0 1 GFAF Clc1cnc(Nc2ccc(N3CCNCC3)cc2)nc1NC[C@H]1CCCO1 299852311 QEIBQCGEIITGSB-MRXNPFEDSA-N 388.903 2.874 0 1 GFAF Cc1nccc2[nH]c(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 586941810 OKOYSAKOJPPRSF-UHFFFAOYSA-N 395.488 2.964 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 586946589 MIJBASXUBMZRGN-LBPRGKRZSA-N 392.868 2.736 0 1 GFAF Nc1ncnc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc12 587169973 GVCBYXWVZVXDDU-UHFFFAOYSA-N 384.396 2.542 0 1 GFAF COc1cc(OC)nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587586603 IUXXCVDBYNEAQH-LPHOPBHVSA-N 380.356 2.902 0 1 GFAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2N)C1 586954724 GAJITXUKKFVOKB-UHFFFAOYSA-N 396.394 2.547 0 1 GFAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2C2(C=CN(c3ncccn3)C=C2)N1 962957433 BSLATKPESMTYEA-CYBMUJFWSA-N 390.777 2.750 0 1 GFAF CC(C)[C@@]1(c2c[nH]c(C(=O)O)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963220616 FABSCTMRSQKLLW-RXVVDRJESA-N 379.416 2.760 0 1 GFAF Cc1c(F)ccc2c1[C@@]1(NCC2)C(C(=O)O)=CN(C)c2cc(C(=O)O)ccc21 962088221 DIKFFBYTGMHJLR-NRFANRHFSA-N 382.391 2.640 0 1 GFAF CC[C@@H](C)CC(=O)N1CCC([C@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 12195434 LLTKHVNWFVOTAA-ZHRRBRCNSA-N 385.508 2.872 0 1 GFAF Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@](C)(O)C5)n4)n[nH]c3cn2)cn1 205245549 PIKYKNBWDFZDPW-NRFANRHFSA-N 389.463 2.772 0 1 GFAF Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccccc4C3)c2C(C)C)n1 106911050 BFOSGOZEKIHQOL-UHFFFAOYSA-N 377.448 2.586 0 1 GFAF C[C@@]12C(=O)N(CCc3ccccc3F)CC(=O)N1CCc1c2[nH]c2ccccc12 2110985 JYPQLTLPDAOCCA-HSZRJFAPSA-N 391.446 2.992 0 1 GFAF biogenic CCC[C@H]1C(=O)c2nc(CN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O 100034616 SYLDQNAOMRMZAV-AWEZNQCLSA-N 393.447 2.512 0 1 GFAF COc1cc(C2=NN(C(N)=O)[C@@H](c3ccc(C)cc3)C2)ccc1OCC(=O)O 28713543 HEKVOBCVCRDJMR-MRXNPFEDSA-N 383.404 2.697 0 1 GFAF CC1(C)Oc2ccc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)cc2C[C@@H]1O 2356597609 OFDJVCBYZMERME-MSOLQXFVSA-N 382.412 2.904 0 1 GFAF O=C(NC1CCN(C(=O)c2ccccn2)CC1)NC12CC3CC(CC(C3)C1)C2 36330647 IRECNBVAXAEKPM-UHFFFAOYSA-N 382.508 2.954 0 1 GFAF O=C1N[C@@](c2ccccc2)(C2CC2)C(=O)N1CN1CCN(c2ccccc2)CC1 72124427 UNZGCLUCLKDDNO-QHCPKHFHSA-N 390.487 2.623 0 1 GFAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(F)cc1F 221906550 FGUKTBUGWSRXPO-ATEUNZGCSA-N 382.342 2.773 0 1 GFAF Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(O)ccc2o1 84655063 RFUWJIIPTNCIRI-UHFFFAOYSA-N 376.420 2.966 0 1 GFAF CCOC(=O)C[C@@H](C)Nc1nc(N2CCC(N3CCCC3)CC2)ncc1C 82203805 MIUABXIIMQJBOG-MRXNPFEDSA-N 375.517 2.603 0 1 GFAF N=C(N)c1ccc(NC(=O)CCCCCC(=O)Nc2ccc(C(=N)N)cc2)cc1 49035422 UFNXBGFZMKNXHA-UHFFFAOYSA-N 394.479 2.782 0 1 GFAF O=C(NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1)c1cccnc1 199719962 QLZVEVZTOXFOHM-UHFFFAOYSA-N 391.427 2.679 0 3 GFAF O=C(c1ccncc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 95878403 ODRNCXKXNVTUTQ-KBRIMQKVSA-N 388.265 2.834 0 1 GFAF CC(=O)O[C@]1(CO)CC[C@]23C[C@H]1C[C@@H]2CC[C@H]1[C@]3(C)CC[C@@H](O)[C@@]1(C)CO 238747894 MJSCOVOZOSAIGP-PTRUQLRHSA-N 380.525 2.657 0 1 GFAF O=C(NC[C@@H]1CC[C@H]2[C@H](CN2Cc2ccccc2C(=O)O)O1)c1ccc(F)cc1 95795561 GOBQSSZDEUBSKD-IHPCNDPISA-N 398.434 2.686 0 1 GFAF c1ccc(CCCN[C@@H]2CO[C@H]3[C@@H](n4cc(-c5ccccc5)nn4)CO[C@@H]32)cc1 36366936 YPIOVOQBBKDBPU-ACESQOTJSA-N 390.487 2.875 0 1 GFAF biogenic COCCS(=O)(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587451777 ZTUQKFGEBGPBQS-OXQOHEQNSA-N 388.441 2.604 0 1 GFAF COc1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2n1 587019927 SMFMGKCQPGAGMZ-UHFFFAOYSA-N 381.417 2.972 0 1 GFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(C(=O)O)cc2[nH]1 587204153 VHHLOPVVUXTPRZ-HNNXBMFYSA-N 383.360 2.703 0 1 GFAF COc1ccc(CCNC(=O)[C@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)cc1 13660650 YSLXFKIOMUGVIN-ZLGUVYLKSA-N 390.487 2.779 0 1 GFAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2C#N)CC1 207225265 LVAYTVXWKWKIQK-UHFFFAOYSA-N 394.884 2.784 0 1 GFAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4043627 PIFWXBWASJVRLX-JKBKZWBZSA-N 397.475 2.857 0 1 GFAF CC(=O)c1cccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 4479712 UWKXVVCXYHSZAC-MRXNPFEDSA-N 395.415 2.587 0 3 GFAF COc1cc([C@@H](c2ccccc2)N2C(=O)CC[C@H]2C(=O)O)cc(OC)c1OC 6005671 XJWFXGJFQNKXHY-HNAYVOBHSA-N 385.416 2.877 0 1 GFAF O=S(=O)(Nc1nc(C2CCC2)n[nH]1)c1cnccc1N[C@@H]1C[C@@H]2CC[C@@H]1C2 102828942 CWSNZLKGGODPSS-UXIGCNINSA-N 388.497 2.869 0 1 GFAF CC(C)c1cc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)n[nH]1 22932973 FGYDGOMKDRYLMH-KRWDZBQOSA-N 378.467 2.880 0 3 GFAF CN1[C@@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@@H]1CN(c1ccccc1)C2 100828466 PKRIIEGSDJCJPE-RTBURBONSA-N 389.503 2.655 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C/COc2ccc(Cl)c1c2Cl 103260944 TUEFPOMKBBGSEI-ISUDXETCSA-N 396.230 2.564 0 1 GFAF O=C1NCCCC[C@H]1N(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 28957744 WLECZQCYRHOQET-QGZVFWFLSA-N 393.896 2.595 0 1 GFAF NCCCC(=O)N1CCCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1 26834458 UIGMMWODZSZNOH-UHFFFAOYSA-N 396.516 2.863 0 1 GFAF COc1ccc(C=CC(=O)OC[C@@H](O)COC(=O)C=Cc2ccc(O)cc2)cc1 2356537183 JLSIEPYLSSNFSK-IBGZPJMESA-N 398.411 2.575 0 1 GFAF OCC[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CCN1Cc1ccccc1 20599751 YRQJTVXFULCPQQ-LJQANCHMSA-N 386.565 2.812 0 3 GFAF NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCCc2ccccc2)O3)c1 61926121 IKIJCRHYVBSMDU-FQEVSTJZSA-N 387.439 2.510 0 3 GFAF COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc2c1OCO2 5999036 GROYKMASYUMFER-DPMMWBKBSA-N 382.368 2.630 0 1 GFAF biogenic COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646795 GBQHDHMFTXPYAM-LSDHHAIUSA-N 384.384 2.727 0 1 GFAF biogenic COc1cc([C@@H]2C[C@@H](O)C[C@@H](CCc3ccc(O)c(O)c3)O2)cc(O)c1O 15112371 CDLANTQZSUXRAX-IYOUNJFTSA-N 376.405 2.731 0 1 GFAF biogenic CCOc1cccc(-n2ncc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)c1 221241290 DBZOBWFVVBYJGJ-HXUWFJFHSA-N 393.447 2.579 0 1 GFAF C/C1=C\[C@@H](O)C(C)(C)CCC[C@](C)(O)[C@@H](O)C[C@@H]1OC(=O)c1ccc(O)cc1 87723341 PTXVSFQAEBBMCK-QHACYFHHSA-N 392.492 2.937 0 1 GFAF CC1(C)OC[C@](CO)([C@@H]2CC[C@@H]3C(=CC[C@H]4[C@H]3CC[C@@H](O)[C@]4(C)CO)C2)O1 238784723 QQACSPRYRQAXGF-DNUTWTKLSA-N 380.525 2.633 0 1 GFAF COc1ccccc1N1CCN(CCCc2cn(-c3ccccc3O)nn2)CC1 299827313 GEGLEQALPLAWHZ-UHFFFAOYSA-N 393.491 2.736 0 1 GFAF CCNc1nn2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c2c1-c1ccccn1 653676847 FOZSFALIBPHTBM-UHFFFAOYSA-N 375.388 2.912 0 1 GFAF O=S(=O)(NCc1nc2ccc(Cl)nc2[nH]1)c1ccc(F)c(F)c1F 587134011 HSKGUBABTSFURE-UHFFFAOYSA-N 376.747 2.507 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016761 NJSHLTIHVCOGDM-AWEZNQCLSA-N 378.479 2.788 0 1 GFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 586941310 RXWCAWBWJAOORT-BLGFXRMMSA-N 385.449 2.685 0 1 GFAF COC(=O)c1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cn1 587124585 MXHCHTXUGCMWMJ-MADCSZMMSA-N 380.330 2.916 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCNCC3)c2cn1)c1ccccc1 1772589551 WFRWBTLVNDDANL-CYBMUJFWSA-N 380.452 2.971 0 1 GFAF Cn1cc(-c2c(Cl)c3c(Cl)cc(C(N)=O)nc3n2[C@@H]2CCCNC2)cn1 1772620767 DFXMBRWAQKZCBG-SNVBAGLBSA-N 393.278 2.767 0 1 GFAF Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc(O)c2c(n1)CCC2 1857609480 UHBSVMRXVMZOGP-UHFFFAOYSA-N 395.385 2.580 0 1 GFAF CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 2469319 QZHQZIQMDAHUCK-NHCUHLMSSA-N 390.487 2.756 0 1 GFAF CC[C@@](C)(C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)c1cnccn1 4571312 MXCVMCNSLBLUAO-UTKZUKDTSA-N 388.512 2.715 0 1 GFAF COc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(NS(C)(=O)=O)nn32)cc1 104042250 HSMWDYDOMFJCPQ-KRWDZBQOSA-N 397.460 2.714 0 1 GFAF CCOC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 101000141 NGDXDQSSXJGFDM-XDTJVVMOSA-N 383.488 2.829 0 1 GFAF CO[C@@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@H]3C5 29485651 DRJFACWZQYBMLO-DZGIYGMASA-N 383.488 2.647 0 1 GFAF C[C@]1(c2cccc(NC(=O)c3cc(Br)co3)c2)COCC(N)=N1 113659404 CLRSFVMIVMUEJA-MRXNPFEDSA-N 378.226 2.897 0 1 GFAF COc1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](OS(N)(=O)=O)[C@@]3(C)CC[C@@H]21 62027138 AOEHUXLJSHGXHN-QVAFBQAKSA-N 381.494 2.846 0 1 GFAF Cc1c(NCc2nnc(-c3ccc(N)cc3)o2)c(=O)n(-c2ccccc2)n1C 73195609 CWYHKPUXGBRDIH-UHFFFAOYSA-N 376.420 2.729 0 1 GFAF CCn1cc(-c2nc3ccccc3[nH]2)c(=O)c2cc(F)c(N3CCNCC3)nc21 43119898 IPXKARMSGJMGLJ-UHFFFAOYSA-N 392.438 2.508 0 1 GFAF CCCCNC(=O)OC[C@H](O)Cn1cc(CN(CCCC)CCCC)nn1 82155411 RUPNVROMYBWIAA-GOSISDBHSA-N 383.537 2.568 0 1 GFAF Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cccc(O)c2o1 84655067 FPDPHJMRURDGEZ-UHFFFAOYSA-N 376.420 2.966 0 1 GFAF CCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F 82150717 PSIFHOZQPUXSHG-AWEZNQCLSA-N 399.470 2.514 0 1 GFAF C[C@H](Oc1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)ncc1C1CC1)C(F)(F)F 149250760 UZUAJNYIPZAFCC-LKFCYVNXSA-N 387.402 2.918 0 1 GFAF Cc1noc(C)c1-c1cncc(CC[C@H]2CCCN2C(=O)CCn2ccnc2)n1 257317600 VKLMKIVFGIHZLE-GOSISDBHSA-N 394.479 2.959 0 1 GFAF C[C@]12CC[C@H]3[C@H]([C@H](O)C=C4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CCC2=O 255284770 YMVDNUQMQPOREU-QVJJDZSSSA-N 384.494 2.677 0 1 GFAF CCN1C(=O)c2cccc3c(S(=O)(=O)NCCC4CCOCC4)ccc1c23 653737428 VVTMNQYHWHIARN-UHFFFAOYSA-N 388.489 2.915 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccnc(NN)c1 587862740 GWGWEKOOQICZPP-UHFFFAOYSA-N 377.326 2.947 0 1 GFAF COC(=O)[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587358004 PHLQTWJRBNJPOF-CDXJDZJCSA-N 386.375 2.839 0 1 GFAF Cc1c(O)ccc2c1[C@@]1(CCCCN(C(=O)OC(C)(C)C)C1)N[C@H](C(=O)O)C2 963552240 PICMEKXCGOOJQM-BTYIYWSLSA-N 390.480 2.916 0 1 GFAF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)C(=O)N(CCC(C)C)c2ccccc21 963511583 UDEXGCNBDUVODP-MBSDFSHPSA-N 394.471 2.936 0 1 GFAF CCOC(=O)c1ccc2c(c1)[n+](=O)c(C(=O)c1ccco1)c(C(F)F)n2O 205985041 APUXIRHCUCPBPI-UHFFFAOYSA-N 379.295 2.731 0 1 GFAF NC(=O)c1sccc1NC(=O)CCCCN1CCN(c2ccccc2)CC1 1857618581 CKWRIKJZKDOTMM-UHFFFAOYSA-N 386.521 2.778 0 1 GFAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 2487264 JAKDRNSEFDRJFF-MAUKXSAKSA-N 377.529 2.595 0 1 GFAF C[C@]1(O)OC(=O)C(c2ccc(Cl)cc2)=C1c1ccc(S(C)(=O)=O)cc1 3991130 SOCDFDQSDXQOHR-SFHVURJKSA-N 378.833 2.920 0 1 GFAF COCCNC(=O)[C@@H](C)[C@H]1CCc2c(C)cc(OCCN(C)C)c(C)c2C1 25206548 IJNPDCMEQGWZHS-WMZOPIPTSA-N 376.541 2.747 0 1 GFAF biogenic O=C(O)CCC(=O)N[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 26571606 JMXUCPBUINCOSV-OALUTQOASA-N 383.444 2.912 0 1 GFAF CNCc1oc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)nc1C(N)=O 28950205 AMGCHWPBHACDMX-UHFFFAOYSA-N 380.326 2.736 0 1 GFAF CCN1c2nc(-c3cccs3)c(-c3cccs3)nc2C(N)=NS1(=O)=O 29412098 HZUMYGQMHJVQCL-UHFFFAOYSA-N 391.503 2.724 0 1 GFAF COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)cc1 38459560 XOJBRGMLSMEWQQ-UHFFFAOYSA-N 378.635 2.702 0 1 GFAF CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2CO)c1 45337002 QXAOYNQWYDNRAL-MRXNPFEDSA-N 382.526 2.824 0 1 GFAF O=C(NCCCNCCNC(=O)OCc1ccccc1)OCc1ccccc1 58538320 FTSOFZWAMIPIOQ-UHFFFAOYSA-N 385.464 2.819 0 1 GFAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 73138886 OEWXNUWPTIZVPV-UHFFFAOYSA-N 396.266 2.780 0 1 GFAF CCC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895219 SESYIFBSAZWGOZ-GIWBLDEGSA-N 392.499 2.945 0 1 GFAF CNC(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O 96285850 CXZGZTKUARYIDS-UHFFFAOYSA-N 393.274 2.524 0 1 GFAF COc1ccc(-n2nnnc2C)cc1COCC1(c2ccccc2)CCNCC1 149564634 CTRCKPCRPOVKKX-UHFFFAOYSA-N 393.491 2.817 0 1 GFAF O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCCCCC1 169304571 OHDRKYIAFNMZNY-XNTOXWQXSA-N 392.499 2.807 0 1 GFAF CCOC(=O)c1cc(Br)c2[nH]c(C3=C(N)C(C)(C)OC3=O)nc2c1 587253584 KRKGTZYRWIHOHV-UHFFFAOYSA-N 394.225 2.507 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cnn(C)c(=O)c1Cl 587867994 GQVXTDOORXOTCT-UHFFFAOYSA-N 385.733 2.709 0 1 GFAF COC(=O)[C@@H]1CCc2occc2[C@@]12NCCc1cnc3c(OC)cccc3c12 963067088 NEDZEHSLZHJHKC-KSFYIVLOSA-N 378.428 2.961 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@@H]2[C@H]4[C@@H]3[C@H]21 963603871 CKDLACSZVKQZGZ-LQPZLQIPSA-N 395.499 2.564 0 1 GFAF CC[C@H](O)c1cc2nc(N3C[C@H](C)O[C@H](C)C3)nc(N3CCOCC3)c2s1 1772602745 WXVVFGUIATWAOJ-GUTXKFCHSA-N 392.525 2.585 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4cc(F)ccc4C3)n2)c1 1772633737 WMAWJHOCTZURFY-UHFFFAOYSA-N 378.411 2.677 0 1 GFAF Cc1ccnc(N2CCC(c3[nH]nc4c3[C@](O)(C(F)(F)F)CC(=O)N4)CC2)c1 1857575298 OKSHXIBGUGDOHQ-KRWDZBQOSA-N 395.385 2.589 0 1 GFAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc(OS(N)(=O)=O)c1 1857592277 JOJWCXZGPJMGIO-KRWDZBQOSA-N 393.852 2.620 0 1 GFAF CC(=O)O[C@@H]1C2=C([C@@H]3OC(=O)C(=CO[C@@H]4C=C(C)C(=O)O4)[C@H]13)C(C)(C)CCC2 2356680330 DLRIUVHQJRZTMZ-BURFUSLBSA-N 388.416 2.710 0 1 GFAF COc1ccc(NC(=O)CSc2nc(=O)cc(O)n2-c2ccccc2)cc1 103745777 ODJAFJHURXIPLG-UHFFFAOYSA-N 383.429 2.678 0 3 GFAF COC(=O)c1cccc(-n2c(=O)n(CC3CCCC3)c(=O)c3cccnc32)c1 607388 POUJMUAXVAJTGM-UHFFFAOYSA-N 379.416 2.524 0 1 GFAF COc1ccc(-n2cnc3c(N[C@H](Cc4ccccc4)C(=O)O)ncnc32)cc1 1858676 MYLIUJIJXACQLQ-QGZVFWFLSA-N 389.415 2.932 0 1 GFAF CC(=O)N[C@@H]1CSCON2CCc3c([nH]c4ccc(Br)cc34)[C@@H]12 2356306525 DUTYWVNXOZDNLC-GDBMZVCRSA-N 396.310 2.970 0 1 GFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@@H]2[C@H]1C 2356319437 GJORWROGMGCRDL-INTXDZFKSA-N 378.557 2.963 0 1 GFAF CCCc1occ([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC(C)=O 2356284254 UEZDCNZHCFKKLD-SFHVURJKSA-N 388.372 2.795 0 1 GFAF CC(=O)O[C@H]1C[C@@H]2C(=O)O[C@H](c3ccoc3)C[C@]2(C)[C@H]2C[C@@H]3C[C@H](C(=O)O3)[C@H]12 104366287 DYSOIAQEKRDXRB-YEFMVYATSA-N 388.416 2.793 0 1 GFAF in-man CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccc(C#N)c3)c2=O)CC1 25429284 VAXLPEWHHDJBSE-QUCCMNQESA-N 388.515 2.900 0 1 GFAF biogenic CC=C1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1C(=COC)C(=O)OC 2356500208 RFHZMDBYJUMARX-YIFZBPKDSA-N 382.460 2.620 0 1 GFAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@H](O)[C@]56CO[C@H](C[C@H]1[C@H]2OC(C)(C)O4)[C@@H]36 504679164 ROMZGRYIOOHATE-PHZMWKBSSA-N 390.520 2.934 0 1 GFAF biogenic Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)CNCc1ccccc1F)CC2 72108693 UHJRXNLZTJGLSU-OYHNWAKOSA-N 387.451 2.551 0 1 GFAF CC(=O)Nc1n[nH]c2c1[C@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 34891708 RBCQNTRBKVPZQE-SWLSCSKDSA-N 394.884 2.862 0 1 GFAF C[C@@H]1NC(c2cc(C(N)=O)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 40952282 VMXBWFMRIFZHPT-QKVFXAPYSA-N 393.397 2.536 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1CCCC[C@@H]1O 222400740 XPMXMSKJKVFHSA-LPHOPBHVSA-N 391.475 2.935 0 1 GFAF COC(=O)C1=C(C)N(C)C(NCc2ccc3c(c2)OCO3)=N[C@H]1c1ccccc1 199422798 HYAAACLQAGFBOC-FQEVSTJZSA-N 393.443 2.995 0 3 GFAF COc1ccc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cn1 225573942 TYSJBMLJFUYVPB-UHFFFAOYSA-N 388.431 2.927 0 1 GFAF C[C@H](N)C(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)N[C@H]1CCCc2ccccc21 45245309 PBFOTDPMLSLTEY-CQDKDKBSSA-N 384.505 2.652 0 1 GFAF CC(C)=CC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196224 DCJQKOQRRPUWSZ-UHFFFAOYSA-N 382.489 2.765 0 1 GFAF OC[C@@H]1[C@H](c2ccccc2)C2(CN(Cc3cccnc3)C2)N1Cc1ccncc1 95667771 SKIWLGNEMXYBPI-PKTZIBPZSA-N 386.499 2.692 0 1 GFAF C[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@]4(CO4)[C@@H](C/C=C4/C(=O)OC[C@H]4O)[C@]3(C)CC[C@H]2O1 653793316 UZXNSSRRZTWTOQ-PPUYTLQBSA-N 392.492 2.584 0 1 GFAF C[C@@]1(c2nc3nc(Br)c[nH]c-3n2)Cc2ccc(F)cc2C(=O)O1 587173042 RRDHJHQDNKSRPK-HNNXBMFYSA-N 377.173 2.834 0 1 GFAF Oc1cc(O)nc(SCc2nc3c(Br)cnc(Cl)c3[nH]2)n1 586966526 HEJDXQNZYACHBH-UHFFFAOYSA-N 388.634 2.867 0 1 GFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(Br)c2[nH]1 586957953 GGRIFFOUCBKLRX-OAHLLOKOSA-N 396.266 2.794 0 1 GFAF CN(Cc1nc2cccc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 586928904 OBKMJOHGNOPUJK-UHFFFAOYSA-N 381.255 2.541 0 1 GFAF CN=c1nc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]s1 587857709 MRPUIQIMGUABIF-AYVTZFPOSA-N 385.306 2.895 0 1 GFAF O=S(=O)(CCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc2c(c1)CCC2 586922008 JYOAXRUZUVRZFM-UHFFFAOYSA-N 382.445 2.650 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@@]12c1ccsc1CCN2Cc1cccnc1 962991904 FVGNZKCAQIIJRW-GHTZIAJQSA-N 385.533 2.912 0 1 GFAF COc1ccc(-n2cnc3c(N[C@@H](Cc4ccccc4)C(=O)O)ncnc32)cc1 5854259 MYLIUJIJXACQLQ-KRWDZBQOSA-N 389.415 2.932 0 1 GFAF CCNC(=O)C1=C(C)N(CC)C(C(=O)O)=C(C(=O)O)[C@@H]1c1ccccc1Cl 13553489 LXKAQMWETQWIPQ-CQSZACIVSA-N 392.839 2.593 0 1 GFAF Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(CO)cc3Cl)cc1)CCO2 169324821 JFMBLAABMHGIPC-UHFFFAOYSA-N 396.834 2.911 0 1 GFAF COC(=O)c1cccc2c1[C@H](N=O)C(=O)N2Cc1cc(F)cc2c1OCOC2 169722248 ONRPIAXQYQNTRG-INIZCTEOSA-N 386.335 2.833 0 1 GFAF CCNC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167387259 IOPSMXHHRYDANP-CYBMUJFWSA-N 398.438 2.628 0 1 GFAF CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)[C@H]1COc2ccccc2O1 4215686 MDMLXVPNVFDIQT-QGZVFWFLSA-N 388.489 2.831 0 3 GFAF C[C@H](N)Cc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2 27323428 DDPKCMIOVDQYQX-NSHDSACASA-N 397.280 2.666 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cn1 116673817 KJJPDCRCENPGNE-UHFFFAOYSA-N 394.435 2.679 0 1 GFAF CC(=O)Nc1ccc(CN2C[C@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)cc1 2356299910 QIELWXWKCXEVGB-FUHWJXTLSA-N 383.427 2.655 0 1 GFAF CSc1nc(C)cc(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)n1 64512373 QSZPLPGSNSWIMT-UHFFFAOYSA-N 399.564 2.676 0 1 GFAF CN(CCOc1ccc(-c2cc(Cc3nnn[nH]3)[nH]n2)cc1)Cc1ccccc1 28523994 VOEHLIVYJPZPJZ-UHFFFAOYSA-N 389.463 2.691 0 1 GFAF CC(C)[C@H]1CCCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28892072 LRAZVNRECMJRGW-AZUAARDMSA-N 390.549 2.990 0 1 GFAF O=S(=O)(c1ccccc1Cl)n1cc2c3c(cccc31)N1CCNC[C@@H]1C2 118364505 PJALJOKVVODHLM-AWEZNQCLSA-N 387.892 2.866 0 1 GFAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC(=O)[C@H](C)[C@]21CC[C@@](C)(CCO)O1 2356481082 CBDKPIJNECSIQI-YBYQEXOBSA-N 396.524 2.632 0 1 GFAF CC1(C)CC(n2ncc3c(cnn3CCN3CCOCC3)c2=O)CC(C)(C)C1 72316001 ZDVSUHLCUSNROB-UHFFFAOYSA-N 387.528 2.703 0 1 GFAF O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)Nc1ccc(-c2ccccc2)cc1 95887744 UTTUQCGEIXLGEI-CLAROIROSA-N 396.487 2.579 0 1 GFAF C=CS(=O)(=O)NCCCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O 621485974 WUMXSTMRWACKAH-UHFFFAOYSA-N 396.415 2.520 0 1 GFAF COc1cc(OC)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c1 587163773 ORNQIAQUVHIWOS-UHFFFAOYSA-N 382.395 2.997 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12 587109785 UZUGZTSOIYGCCJ-UHFFFAOYSA-N 385.323 2.594 0 1 GFAF COc1ncccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 1772630968 WTNWZIWDNZGDTJ-UHFFFAOYSA-N 387.447 2.546 0 1 GFAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(F)c2F)cn2ncnc12 1772609511 PVISRXZAOZYYCY-UHFFFAOYSA-N 386.293 2.981 0 1 GFAF Cc1cc(Nc2nc(C(=O)N3C[C@H](C)N[C@@H](C)C3)nc3ccc(Cl)cc23)n[nH]1 1772612866 DCSCGJBLXPXCMB-RYUDHWBXSA-N 399.886 2.881 0 1 GFAF O=C(N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O)c1cccnc1 13835626 PUEDNDJLUCJNIV-NRFANRHFSA-N 382.423 2.578 0 1 GFAF CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccc(O)cc1 169351895 PVYQWXUFZMPVPD-QGZVFWFLSA-N 391.383 2.585 0 1 GFAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O)C1CCC1 2356286925 SQCIGRLJHPPUDW-NSHGMRRFSA-N 388.439 2.848 0 1 GFAF CCOc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 28464524 VCWKWOXXAVFGBO-BKRJIHRRSA-N 395.521 2.885 0 1 GFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@H]3C)n1 218936964 VKDRGGCFNJISDJ-ZETCQYMHSA-N 394.382 2.739 0 1 GFAF Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)nc2)cn1 45353247 QSMHUWIPOSBGBK-UHFFFAOYSA-N 378.363 2.683 0 1 GFAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cs1 587014097 KICRMCZQQQERHH-UHFFFAOYSA-N 398.452 2.687 0 1 GFAF NS(=O)(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995560 IQYHWNJQFHOPQO-UHFFFAOYSA-N 395.282 2.627 0 1 GFAF COC(=O)C[C@]1(c2cccc(OC)c2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441154 FAPUMMLZJWILNP-IVZQSRNASA-N 398.411 2.918 0 1 GFAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586922789 SQMDBNVJUWDMNV-UHFFFAOYSA-N 396.472 2.779 0 1 GFAF COCC(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587563793 WZVOEXAIIQNCDY-UHFFFAOYSA-N 393.852 2.775 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)ncc2[nH]1 587232291 VWEANTVFWBZOCU-WDEREUQCSA-N 381.274 2.757 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cncc(OC)c4[nH]3)c2)o1 586923602 RQQLXOIQPUEEBT-UHFFFAOYSA-N 399.432 2.553 0 1 GFAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)C2(N1)c1ncccc1-c1cccnc12 963223732 HIHHNKPUBBQLFJ-LJQANCHMSA-N 380.407 2.896 0 1 GFAF C[C@]12CCC(=O)C[C@@]1(O)CC[C@]21N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962763467 KPOIXOUMAQUMLP-XGXHKWSGSA-N 381.394 2.812 0 1 GFAF CCC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O 13738121 VBJKFPWGBOZOKY-IBGZPJMESA-N 376.497 2.757 0 1 GFAF O[C@@H]1CCN(CCOc2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 169708941 TVXSEYQIZAVRRR-BFUOFWGJSA-N 379.378 2.911 0 1 GFAF CS(=O)(=O)N1CCc2cc(-c3csc(NC[C@@H]4CCCO4)n3)ccc21 1337773 HCUGIGFUDQJVOG-AWEZNQCLSA-N 379.507 2.723 0 3 GFAF COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCCCc1ccc2c(c1)OCO2 58626673 PWDHCZOBPQAMTP-GOSISDBHSA-N 399.443 2.734 0 1 GFAF Nc1nc(O)c(Cc2nn3c(COc4ccc(Cl)cc4)nnc3s2)s1 101273726 IZMRGDJABMFQQG-UHFFFAOYSA-N 394.869 2.753 0 1 GFAF COc1cc(C=CC(=O)NCCc2ccc(OC(C)=O)cc2)ccc1OC(C)=O 2356618453 TWZYHKRHASAOIY-UHFFFAOYSA-N 397.427 2.918 0 1 GFAF CN(CCc1ccccn1)[C@@H]1CCN(Cc2cccc3ncccc23)C[C@H]1O 39544006 ZHUSSZQVOABWDP-DHIUTWEWSA-N 376.504 2.740 0 1 GFAF CCn1nc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c2ccccc21 84739787 XLVAOYFVEAWDSR-UHFFFAOYSA-N 394.460 2.904 0 1 GFAF CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(F)c(F)c2)CC1 149322375 RWSQBRVYLVXJKW-UHFFFAOYSA-N 397.422 2.667 0 3 GFAF COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ccccn3)n2)ccn1 35424805 KSYOOBTUIPFWGZ-KRWDZBQOSA-N 381.436 2.889 0 1 GFAF biogenic Nc1ccn2c1[C@@]1(CNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332401 ACOWEDXPQXHPBL-NQIIRXRSSA-N 379.391 2.730 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(Br)ccnc2[nH]1 586953314 LQDIHCBIDDCAHY-UHFFFAOYSA-N 388.272 2.524 0 1 GFAF Cc1c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)nnn1Cc1ccc(Cl)cc1 587073373 HCUKBOGBLIUDOF-UHFFFAOYSA-N 375.223 2.639 0 1 GFAF CCOc1cc(O[C@H]2CCOC2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953309 ZKEPSHHZWYCVRH-QFBILLFUSA-N 399.447 2.775 0 1 GFAF CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 1857600197 AUZGEDPWRMYCLE-QFIPXVFZSA-N 394.523 2.849 0 1 GFAF COc1ccccc1CN1CCC[C@H]1c1nc(C2=CN[C](N(C)C)C=C2)no1 2356312967 OETOPSKWXXNJRT-KRWDZBQOSA-N 380.472 2.967 0 1 GFAF O=C1NCCCC[C@H]1N(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 28957741 GAORNELHYDIGGM-QGZVFWFLSA-N 393.896 2.595 0 1 GFAF CC(=O)N1CCC[C@H](Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)C1 28961027 FZAKXGDDGNQSFC-KRWDZBQOSA-N 378.432 2.719 0 1 GFAF N[C@H](Cc1ccccc1Cl)C(=O)N1CCN(c2ncnc3ccccc23)CC1 64528379 OHXQFFUUYPZRSE-GOSISDBHSA-N 395.894 2.502 0 1 GFAF O=C(c1ccccn1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1 115091316 TTWIJRFTOMRLHU-NRFANRHFSA-N 390.830 2.943 0 1 GFAF COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ccccc3O2)nc1=O 213635778 BNFSDWFPQICEMS-INIZCTEOSA-N 392.411 2.694 0 1 GFAF Nc1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@H]4O)nc2)c1 49069326 UHXPSDJNBUIHJO-LJQANCHMSA-N 391.427 2.609 0 1 GFAF Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCN)cc2)co1 82069806 FBRHSJDZWSXJHZ-UHFFFAOYSA-N 379.416 2.696 0 1 GFAF Cc1ccc(NS(=O)(=O)c2ccc3[nH]c4c(C(N)=O)nccc4c3c2)cc1 84758555 QQIQKXOWEGLEFU-UHFFFAOYSA-N 380.429 2.924 0 1 GFAF OC[C@@H]1[C@H](c2ccccc2)C2(CN(Cc3nccs3)C2)N1Cc1cccnc1 95794095 QKRWTHOYIYWFOP-CTNGQTDRSA-N 392.528 2.753 0 1 GFAF OCC1CCN(c2cncc(OC3CN(c4ccc5ccccc5n4)C3)n2)CC1 95576498 RDDWJTLUUPTHKP-UHFFFAOYSA-N 391.475 2.501 0 1 GFAF CC(C)(C)CN1C[C@H](COc2ccccc2)Oc2ccncc2S1(=O)=O 299851089 FANOFSRPUSDDCD-MRXNPFEDSA-N 376.478 2.958 0 1 GFAF Nc1cc(C(=O)O)cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587248706 BTIHBJHCDNKKOM-UHFFFAOYSA-N 376.166 2.971 0 1 GFAF O=C(CCc1nc2cc3cn[nH]c3cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587025270 KDGMIBWWBISTCO-UHFFFAOYSA-N 390.432 2.924 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@H]1C3 586989984 TVKONIGIOJYEPE-JGMWFTNYSA-N 386.407 2.539 0 1 GFAF CC1=C(c2ccc3nc([C@H]4CSCN4C(=O)C(C)(C)C)[nH]c3c2)NNC(=O)C1 587043337 POEZTLWAAAMGJB-OAHLLOKOSA-N 399.520 2.939 0 1 GFAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccnc3nccnc23)N1 962976736 OEPCVTMBZMZCAU-RISCZKNCSA-N 376.750 2.645 0 1 GFAF C[C@H]1CN(c2ccc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cn2)C[C@@H](C)O1 962897464 CWXDXBGMVWQHKJ-IBLWWLKCSA-N 385.439 2.523 0 1 GFAF O=C(O)c1ncccc1[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962890115 BTSKXOOFKDEMBZ-JTSKRJEESA-N 392.386 2.810 0 1 GFAF N=C(N)c1ccc(NCCCCCCNc2ccc(C(=N)N)cc2N)c(N)c1 5161680 WHBMNMVYLUEXCI-UHFFFAOYSA-N 382.516 2.504 0 1 GFAF CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C1CCCCC1)C(C)(C)C 13537133 QPXLOMRVQSWZQT-SJLPKXTDSA-N 397.560 2.962 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)ccc1O 14646791 FZFUSCRYZHVQNP-CABCVRRESA-N 386.400 2.713 0 1 GFAF biogenic,in-vitro O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1c2ccccc2OCC(=O)N1C1CC1 169341624 MUFOOCARBZCJGC-FQEVSTJZSA-N 380.400 2.521 0 3 GFAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cc(C5CC5)ncc4C3)ncnn12 169711789 TUZGEVZSUZQXJJ-MRXNPFEDSA-N 376.464 2.772 0 1 GFAF COC(=O)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)[C@H]2N=O 169722172 UEZLNCMGFPWFJJ-INIZCTEOSA-N 386.335 2.833 0 1 GFAF Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)n1 2662707 NUIUTSLPBYRSLL-RBZFPXEDSA-N 395.467 2.507 0 3 GFAF CC(C)c1ccc(NC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)cc1 4874469 UKOBFLIOPKSACK-UHFFFAOYSA-N 377.444 2.880 0 3 GFAF Brc1ccc2c(c1)=C(c1cccnc1)NN=C(c1cccs1)N=2 100550739 CJTFKQKACXOADG-UHFFFAOYSA-N 383.274 2.647 0 3 GFAF Cc1ccc2nc3c(O)n(CC(=O)NCCCN4CCC(C)CC4)ncc-3c2c1 103536757 GNARXPRDPATTKJ-UHFFFAOYSA-N 395.507 2.788 0 1 GFAF CC(C)C[C@@H]1C(=O)N(NC(=O)c2ccccc2C(=O)O)CN1Cc1ccccc1 64574073 ZNUWGPJJJRJHBT-LJQANCHMSA-N 395.459 2.746 0 1 GFAF COc1ccc(CN2C[C@@H]3CN(Cc4ccccc4OC)CCN3C2=O)cc1 2356459331 IKUYYONSOHYCLN-IBGZPJMESA-N 381.476 2.826 0 1 GFAF C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 34374113 GJXFPIGLCXZHTN-JZXOWHBKSA-N 376.522 2.742 0 1 GFAF in-vitro COc1cc(/C=C\C(=O)O)cc(-c2cc(/C=C\C(=O)O)cc(OC)c2O)c1O 31970707 LBQZVWQOPFFQJI-GLIMQPGKSA-N 386.356 2.978 0 1 GFAF Nc1cccc(-c2cccn([C@@H](CN3CC[C@H](O)C3)c3ccccc3)c2=O)c1 36190504 ZHNRRDSELDXVDH-UNMCSNQZSA-N 375.472 2.754 0 1 GFAF CC(=O)O[C@H](C/C(C)=C/CC/C(C)=C\CC/C(=C\CO)CO)[C@H](O)C(C)(C)O 238782458 DBAHGLBNNDLYHN-QDGKNVDVSA-N 398.540 2.804 0 1 GFAF O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCOCC1 95894561 DJGMPCRJWDHKNS-AOIWGVFYSA-N 398.425 2.541 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(OC)C[C@H]12 523041676 CZMOHCGAILDDJJ-VOBVSAQXSA-N 378.465 2.897 0 1 GFAF biogenic CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCC(=O)NC 587860182 QMSBAXXBXDXODF-UHFFFAOYSA-N 387.292 2.724 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1C1=NN/C(=C\c2ccccc2)C(=O)N1 587872053 HZCTZKJCGRSHDI-WQRHYEAKSA-N 391.406 2.968 0 1 GFAF COC(=O)[C@H]1c2ccc(OC)nc2CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587396058 WLHPOWXHTPEGHU-WIYYLYMNSA-N 382.416 2.588 0 1 GFAF CCOC(=O)CC[C@]1([C@H](C)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599690 YUUMJMGONLYQDV-WMHILYHISA-N 386.400 2.817 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\C(=O)O)(c2cnn(C)c2)N1 587764760 QRAVHOBDPJUNAD-XCMLYJMASA-N 394.244 2.740 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C(=O)OC)ccc21 587485675 QHIPPRDBVNIDMJ-NRFANRHFSA-N 381.384 2.944 0 1 GFAF COC(=O)[C@@H]1C[C@]2(CCN1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346112 RJUAQKVPHHWBLM-KPLVRAHFSA-N 399.418 2.896 0 1 GFAF Cc1cnc(O)n1-c1ccc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962927899 FIKJLWBJQVXNKA-HSZRJFAPSA-N 390.487 2.997 0 1 GFAF CC(C)NC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 1772623236 CDHANCMIZYOHBC-FQEVSTJZSA-N 376.460 2.873 0 1 GFAF O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCCCCC1 13153294 OHDRKYIAFNMZNY-VIYGXFRKSA-N 392.499 2.807 0 1 GFAF CN(C)[C@H]1CC[C@H](Oc2ncnn3ccc([C@H]4CC[C@H](C(N)=O)CC4)c23)CC1 1857774712 PCFKUBITHSZHHQ-GARHLSDISA-N 385.512 2.740 0 1 GFAF O=S1(=O)CCCCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148603603 ABNYLTYUNOWYES-HNNXBMFYSA-N 394.443 2.859 0 1 GFAF CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 766807 TVMWFDGDOBSSCL-OAHLLOKOSA-N 385.512 2.601 0 1 GFAF CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 2487103 IVSRVEFQRLRXTB-MRXNPFEDSA-N 377.485 2.669 0 1 GFAF O=C1c2cnn(-c3ccccn3)c2CCCN1[C@@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101668558 QDAUCYFWRJSXFP-AUYJWCGTSA-N 378.476 2.595 0 1 GFAF Cn1c(CO[C@@H]2CN(C(=O)COc3ccccc3)C[C@H]2F)nc2ccccc21 2356299044 SWWJOXFQZAJJHU-VQIMIIECSA-N 383.423 2.718 0 1 GFAF COc1ccc([C@H]2OC(=O)[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC(=O)[C@H]23)cc1OC 136357432 IWLDUPODTWQNBQ-INDMIFKZSA-N 398.367 2.561 0 1 GFAF CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(NCCO)n2)CC1 26716656 XKOQKLFWCLUSAU-UHFFFAOYSA-N 396.470 2.817 0 1 GFAF CO[C@@H]1Cc2ccccc2N(C(=O)N2CCN(CCO)CC2)c2ccccc21 20790539 VIXOPDYUZNXBCD-OAQYLSRUSA-N 381.476 2.798 0 3 GFAF CN1CCN(c2ccc3nc(-c4c(N)c5ccc(F)cc5[nH]c4=O)[nH]c3c2)CC1 38238950 KTZAHPAGCSCZTG-UHFFFAOYSA-N 392.438 2.545 0 1 GFAF COc1cc(CCC(=O)C[C@H](O)CC(=O)CCc2ccc(O)cc2)ccc1O 1911583008 IZDTVMPKRYPHEQ-HXUWFJFHSA-N 386.444 2.951 0 1 GFAF CC(=O)NCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82141281 OYXKNDRMSLQEEJ-UHFFFAOYSA-N 399.470 2.893 0 1 GFAF CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)C1CC1 95794184 IWKWXIWLGNMWLK-BHDDXSALSA-N 396.462 2.694 0 1 GFAF c1ccc2nc(N3CC(Oc4nccnc4N4CCCOCC4)C3)ccc2c1 96168715 SZXHCQDXZDOXOT-UHFFFAOYSA-N 377.448 2.519 0 1 GFAF CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1)C2 95667671 IPGHRGWSPZGGEK-NHCUHLMSSA-N 379.504 2.819 0 1 GFAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Br)o1 95576262 FONCJXWMQYTPRQ-WMLDXEAASA-N 390.281 2.872 0 1 GFAF COc1cccc(OC[C@@H](O)CN2CCC(N3Cc4ccccc4C3=O)CC2)c1 473145193 NCDRTMQMVMDRCU-IBGZPJMESA-N 396.487 2.555 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)N1 587794041 SMXUYAGDBOEOBO-JPZQVTKCSA-N 395.316 2.935 0 1 GFAF O=C1CCc2cc3nc(C4=CCC(=O)N(Cc5ccc(F)cc5)N4)[nH]c3cc2N1 587164266 PBQUUCIEVXZJDT-UHFFFAOYSA-N 391.406 2.865 0 1 GFAF COC(=O)c1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 587194401 RTCXBRRLYKASCY-CQSZACIVSA-N 376.457 2.867 0 1 GFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586959707 SXTFWTUGWVKZLG-CQSZACIVSA-N 387.248 2.734 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)CC(=O)c2cc(C)cc(N)c2O1 587383410 ZXMNJWZCHVVHHD-HXUWFJFHSA-N 389.354 2.848 0 1 GFAF CCOC(=O)[C@]1(c2nccn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756994 UBCITUGNKXACJQ-BTDLBPIBSA-N 396.260 2.663 0 1 GFAF CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423908 WDJROANGORKWAJ-QOMLEYONSA-N 382.359 2.930 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586950913 GIEKMBNWGADSQN-UHFFFAOYSA-N 388.377 2.688 0 1 GFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3c(F)cnc(Cl)c3[nH]2)s1 587024319 VAOZJMLRRGKBQM-UHFFFAOYSA-N 384.824 2.962 0 1 GFAF Cc1nonc1[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189494 WTKYHFPYSFIXTD-OTYXRUKQSA-N 375.734 2.913 0 1 GFAF O=C(O)CN1CC[C@@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963830503 BEMFQAHEYKWVSP-QHCPKHFHSA-N 391.471 2.878 0 1 GFAF Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](OCc1ccccc1F)CC(=O)N2 1772640642 QCHJCCBKJYHHQC-ZDUSSCGKSA-N 393.382 2.586 0 1 GFAF CCCC[C@H](O)C1=C[C@@H]2Oc3c(OC)ccc4c3[C@]23CCN(C)[C@@H](C4)[C@]3(O)C1 169295452 WBVBPFKXFKIIPB-TYGFHTFFSA-N 385.504 2.567 0 1 GFAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C2CCOCC2)c1 169707075 SPKOCRGJFROTIZ-QGZVFWFLSA-N 396.491 2.929 0 1 GFAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21CON(C)C(N)=N1 201251978 DEBWKFWWFOYEFP-IUPXNIOVSA-N 394.313 2.968 0 1 GFAF NCc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)s1 1857577682 WIVVLFLIKNOLCR-UHFFFAOYSA-N 393.511 2.872 0 1 GFAF CCC[C@]1(C)CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CCO1 1857588360 BPXBDHFZVCGCAK-OXJNMPFZSA-N 393.459 2.682 0 1 GFAF COc1cc(-c2cnc3c(N4CCC[C@H](C(N)=O)C4)snc3c2)ccc1N 1857636588 SKRNYYDEQDZNNS-LBPRGKRZSA-N 383.477 2.651 0 1 GFAF O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4050430 RDIBBJLLUXLRHD-UYAOXDASSA-N 397.500 2.969 0 1 GFAF COc1ccc(NC(=O)N2CC[C@](C)(O)[C@H](NC(C)=O)[C@@H]2c2ccccc2)cc1 2356288624 ICRNYZZOFNZNML-VWPQPMDRSA-N 397.475 2.930 0 1 GFAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1 59729940 URTJMLCOGKHVDK-WRNBOGDWSA-N 398.411 2.746 0 1 GFAF CC1=C(Sc2cc(Cl)cc(Cl)c2)[C@@H](COCCO)C(=O)NC1=O 102817754 FWLIJFLHZVSBOP-GFCCVEGCSA-N 376.261 2.641 0 1 GFAF CCN1C(=N)N(C)/C(=C\c2c[nH]c3ccc(I)cc23)C1=O 53242700 LFCYGVRWVUBVPO-LQUGJSQOSA-N 394.216 2.842 0 1 GFAF FC(F)(F)c1ccccc1OC1CCN(c2nnc(-c3nnn[nH]3)s2)CC1 34841659 VQKYSMOEFGIRDT-UHFFFAOYSA-N 397.386 2.785 0 1 GFAF CC(=O)NCc1cc(-c2cc3nc(NC4CC4)c4ncn(C)c4n3n2)ccc1F 40952596 VBGRSDHDLOPNMH-UHFFFAOYSA-N 393.426 2.633 0 1 GFAF Cn1cc(-c2ccc3nc(N4CCN(C5CCC5)CC4)ncc3c2)ccc1=O 1911585724 LUZAYGLVUKAUQF-UHFFFAOYSA-N 375.476 2.670 0 1 GFAF CC(C)C[C@H]1CN(c2ccc(C3CC3)c(C(=O)c3cccnc3N)n2)CCN1 84653351 CQBKEYNDDXJYNG-INIZCTEOSA-N 379.508 2.992 0 1 GFAF O=C(Oc1cccs1)c1cnn2c1n[n+]([O-])c1ccc(C(F)(F)F)cc12 43013097 IYIMAYNNPCJOCU-UHFFFAOYSA-N 380.307 2.815 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 95795730 QPXWAONWWYNYJO-SFKDUIPTSA-N 394.446 2.670 0 1 GFAF O=C1COc2cc3[nH]c(CNC(=O)c4cccc(C(F)(F)F)c4)nc3cc2N1 587110942 GZNKRBBZELCBLU-UHFFFAOYSA-N 390.321 2.843 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005749 QJUIVZBBWPLDSW-UHFFFAOYSA-N 387.646 2.688 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(-n2cnnn2)cc1 587872683 RFDJPZDNEMQWAK-UHFFFAOYSA-N 378.367 2.752 0 1 GFAF COc1ccc(C[C@@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1OC 587927101 RMOXWGOZYKXDLT-LLVKDONJSA-N 375.450 2.574 0 1 GFAF Cc1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2n1 587003333 TUDRXODLUNJXGM-UHFFFAOYSA-N 387.237 2.997 0 1 GFAF COc1nccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 587019172 GWDRXXOTIKMUAK-UHFFFAOYSA-N 381.417 2.972 0 1 GFAF COC(=O)c1cccc2c1NC(=O)[C@]21c2c(ccc(OC)c2OC)C[C@H](C)N1C 962616669 AMIDHEHEAVJART-AMXDTQDGSA-N 396.443 2.563 0 1 GFAF CN(CC(=O)O)c1ncc([C@@H]2c3ccsc3CCN2Cc2ccco2)cn1 962714144 YSCQEJGSPZRVEH-GOSISDBHSA-N 384.461 2.800 0 1 GFAF C[C@]1([C@H]2CCOC2=O)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963196331 SUKZYXDSBYQFIV-KPWYMIHSSA-N 377.746 2.736 0 1 GFAF CCCCN(C)C(=O)c1cc(-c2nnc(O)n2-c2ccccc2)c(O)cc1O 1772569876 PHYBXAQDXCJFDV-UHFFFAOYSA-N 382.420 2.923 0 1 GFAF COC[C@H](C)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 12479875 QQGITOMXCVDLFQ-KRWDZBQOSA-N 386.496 2.963 0 3 GFAF N[C@@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(C(=O)O)c2cc(Cl)ccc21 169346662 LEJYMEQTFJZXFC-OAHLLOKOSA-N 399.863 2.584 0 1 GFAF COc1ccccc1N1C(=O)N(Cc2ccc(C(=O)NO)cc2)C(C)(C)C1=O 206142040 FOPVUBSEBZNOHJ-UHFFFAOYSA-N 383.404 2.562 0 1 GFAF O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 1857751259 FTFRVHRVNAJZCB-VXKWHMMOSA-N 393.483 2.983 0 1 GFAF CC(C)NCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O 142863744 NAMAHKOABYWUKJ-UHFFFAOYSA-N 395.459 2.924 0 1 GFAF CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 760311 FEQYZDLIDLKROK-NVXWUHKLSA-N 389.496 2.811 0 1 GFAF CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)c2ccco2)C1 4202206 WXLSIYMEIXMMRJ-AEFFLSMTSA-N 385.464 2.578 0 1 GFAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCO 4205832 VEWIGYIAPYGLFU-HKUYNNGSSA-N 388.851 2.939 0 1 GFAF CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)s1 104007547 SRDPDJGJUOZHAP-PTNGSMBKSA-N 399.505 2.663 0 3 GFAF O=C(Nc1cccc(C(F)(F)F)c1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 61905970 POUYXVHDOBACMR-RWMBFGLXSA-N 388.367 2.597 0 3 GFAF Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3nccs3)c2c1=O 115623398 BYEKTHRSBSZZDD-UHFFFAOYSA-N 394.460 2.818 0 1 GFAF CC[C@H](O)[C@]1(C)O[C@]2(O[C@](C)([C@@H]3OC(=O)C(C)=C[C@@H]3C)C[C@@H]2C)[C@@H](C)[C@@H]1O 2356629774 PUWSWDPZBXOVMY-DMAPPBHASA-N 382.497 2.562 0 1 GFAF COc1ccc(-c2ccn(C[C@@H](O)C(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1 71280855 OBIDNHVGRAURCJ-LJQANCHMSA-N 394.427 2.684 0 1 GFAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-n2nccn2)C1 219418050 KPHGUEVGZGDNLE-UHFFFAOYSA-N 375.219 2.563 0 1 GFAF CN(C)C(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72104520 GPOZYJNXWRDWTQ-SFHVURJKSA-N 375.423 2.580 0 1 GFAF O=C1C[C@@H](c2ccccc2)NCCCCN2C[C@@H](CN1)c1ccccc1C2=O 13414823 XRGRYPQJVHKGHR-NQIIRXRSSA-N 377.488 2.857 0 1 GFAF biogenic COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)cc(F)c3C)C2)cn1 49113655 KZBKKNGFZWHZPZ-UHFFFAOYSA-N 387.390 2.834 0 1 GFAF CC(C)Oc1cc2c(-c3cc(N4CCn5ncnc5C4)ncn3)n[nH]c2cc1F 225574268 BMNHPEOYSBXNHU-UHFFFAOYSA-N 394.414 2.558 0 1 GFAF O=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1N1CCC[C@@H](O)C1 84586988 ANIBRQLOFDBMAF-CQSZACIVSA-N 387.436 2.563 0 1 GFAF Cc1cc(F)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl 146911689 DWLDIVNSWGWDKV-UHFFFAOYSA-N 398.891 2.763 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CNS(C)(=O)=O)(c1ccccc1)CC2=O 587486135 LIDXAZQWXBFCNU-HXUWFJFHSA-N 389.473 2.755 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N(C)C)nc3c(C)cccn3c1=O)O2 587395638 SUDAZXFHPHIHNJ-MRXNPFEDSA-N 378.432 2.666 0 1 GFAF CCOC(=O)[C@@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587742913 UZSRUNGLCFFVIO-OQVJCZGCSA-N 385.277 2.956 0 1 GFAF O=C1COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2N1 587591445 CLTGJZQCPAHZIL-FXAWDEMLSA-N 390.351 2.821 0 1 GFAF Oc1nc(O)c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586983985 FNDFDRRJIYORQR-LBPRGKRZSA-N 390.241 2.712 0 1 GFAF COc1cc2c(cc1OC)[C@@]1(CS(=O)(=O)Oc3ccccc31)N(C)[C@@H](C)C2 962565533 HSJGZUXCZOQFSC-RBZFPXEDSA-N 389.473 2.546 0 1 GFAF COc1ccc([C@H]2CN(c3cc(-c4ccccn4)nc4ncnn34)CCO2)cc1 1772615430 BJJXNLHTKXRFPF-LJQANCHMSA-N 388.431 2.773 0 1 GFAF C[C@H]1CN(CC2CCCCC2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205443422 ZSUJPDOSWCXSCU-YJBOKZPZSA-N 399.539 2.927 0 1 GFAF COC(=O)[C@H](NC(=O)CC(=O)O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 1857594052 HFCUQTFELBCLEV-QGZVFWFLSA-N 381.306 2.576 0 1 GFAF Cc1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@H]4C3=O)cc2)cc1 6877535 CGWKCRXZFLKMQN-FQEVSTJZSA-N 391.471 2.971 0 1 GFAF COc1ccc(OC)c(-c2cc(-c3ccncc3)nc(N3CCN(C)CC3)n2)c1 28476049 QODLLKVTHMBAIM-UHFFFAOYSA-N 391.475 2.975 0 1 GFAF Cn1cnc2cc(-c3ccc(N4CCCCC4)nc3)nc(NC3CC3)c2c1=O 115624205 XOMJWTVASUWQFC-UHFFFAOYSA-N 376.464 2.955 0 1 GFAF Cc1cc(OCCCC(=O)NC2(C(N)=O)Cc3ccccc3C2)ccc1Cl 26397325 ZFXYKDJIZZILDR-UHFFFAOYSA-N 386.879 2.947 0 1 GFAF C[C@@H]1N[C@H](CC[C@H](CCCO)CCCCCC[C@H](O)CC(=O)O)CC[C@@H]1O 2356316848 UMAPXMPJFAVENC-KNJMJIDISA-N 387.561 2.833 0 1 GFAF O=C1O[C@H](O)c2c1c(-c1ccc3c(c1)OCO3)c1c3c(ccc1c2O)OCO3 28117660 QREDVBUOBUCABU-FQEVSTJZSA-N 380.308 2.831 0 1 GFAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)NCC3)cc1 35950946 BLADZQNIEFBLBI-UHFFFAOYSA-N 390.486 2.918 0 1 GFAF CN(C)C(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40974932 SUZORCUEJYIJPL-UHFFFAOYSA-N 390.443 2.931 0 1 GFAF CN1CN(C(=O)CSc2ncnc3c(C4CC4)c(Cl)sc23)CC1=O 1911586364 ZMTMICOXUWYQAD-UHFFFAOYSA-N 382.898 2.572 0 1 GFAF CCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195391239 GILYTJDQDXXBEX-MYUFBFDKSA-N 381.472 2.616 0 1 GFAF CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c12 95601189 KDJLIPBBVQRRLY-SNVBAGLBSA-N 382.438 2.673 0 1 GFAF CC(=O)N1CC[C@H]2[C@H]1C(=O)N(C1CCCCC1)C(=O)N2Cc1cccs1 25410230 ZRNOWCKQPKVSOE-IRXDYDNUSA-N 375.494 2.834 0 1 GFAF biogenic O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95893651 LBULXBMGSONBTN-RJGXRXQPSA-N 392.499 2.789 0 1 GFAF COc1cc2c(cc1OC)-c1cc(=Nc3c(F)cccc3F)n(C)c(=O)n1CC2 253991774 QSNLKFSOZYFJTK-UHFFFAOYSA-N 399.397 2.938 0 1 GFAF COc1ccccc1/C=C1\CNC[C@@H]2[C@@H]1NC(=S)N[C@H]2c1ccccc1OC 261134955 LWWIMYKKFBLYLV-RRAHQUQCSA-N 395.528 2.894 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H](C(=O)O)NC[C@@H]3C2)N1 587791610 GPOVAWLADAJRKW-JCYYLGHZSA-N 397.288 2.790 0 1 GFAF COc1cccc2cc3c(nc12)[C@@H](c1ccc(O[C@H](C)C(N)=O)cc1)NCC3 963051669 DRSNXVXFMKQGPL-ZUOKHONESA-N 377.444 2.731 0 1 GFAF COC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)n1 13560993 NKIIJQFBQXIXNY-ZDUSSCGKSA-N 383.427 2.763 0 1 GFAF COc1cc2c(cc1O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](OS(N)(=O)=O)CC[C@H]12 14952539 AOEHUXLJSHGXHN-SIKVJHAASA-N 381.494 2.846 0 1 GFAF CN(C)CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1 146787900 ALHWXWTUDYISRS-UHFFFAOYSA-N 384.411 2.788 0 1 GFAF CCn1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 3591137 FRGJEKCSHYOZQT-UHFFFAOYSA-N 389.455 2.829 0 1 GFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2cccc(Cl)c2)n1 2356288358 BNYJALUBFSZOSP-NMLBUPMWSA-N 389.927 2.944 0 1 GFAF Nc1c(C(=O)c2cccc(OC3CCNCC3)c2)cnn1-c1ccc(F)cc1 53683154 QKZZJXRGCHXIAI-UHFFFAOYSA-N 380.423 2.955 0 1 GFAF in-vivo CCOC(=O)[C@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 28091185 NGDXDQSSXJGFDM-JEBQKTDQSA-N 383.488 2.829 0 1 GFAF CCCCCC(=O)O[C@@H]1C=C2[C@H](OC)OC[C@]2(O)[C@@]2(C)[C@@H]1C(C)(C)CC[C@H]2O 2356870292 XPKRYPSOFXPZSA-XUTWCVSWSA-N 396.524 2.956 0 1 GFAF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN(C)C 82070249 IDDPZKKGAHYAKL-INIZCTEOSA-N 375.494 2.669 0 1 GFAF O=C(Nc1cnccn1)Nc1ccnc2ccc(N3C[C@@H]4COC[C@H]4C3)cc12 43208204 VEZQCXWMPWTPJL-ZIAGYGMSSA-N 376.420 2.751 0 1 GFAF C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCC1CCCCC1 82082888 BHEUKEFMLJHSRH-CYBMUJFWSA-N 399.447 2.885 0 1 GFAF CO[C@@]12CC3=CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]3(C)[C@H](O)C1=C(C)C(=O)O2 238734114 UGNBFLDDUQOMHC-SJWWMCPXSA-N 376.449 2.818 0 1 GFAF CN1CCN(c2ccc3nc([C@@H]4CSCN4C(=O)C(C)(C)C)[nH]c3c2)CC1 587044304 ZJIISMZGZMJDLX-KRWDZBQOSA-N 387.553 2.935 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3c(Br)ccnc3[nH]2)CC1 586951990 FZIQIKGQDZMLKC-UHFFFAOYSA-N 387.303 2.640 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)CC1 586952383 JKQKSYJLUNUVKB-UHFFFAOYSA-N 399.900 2.922 0 1 GFAF CC(C)Oc1cc2nc(CCS(=O)(=O)N(C)C)[nH]c2cc1Br 586930134 GCAUCIYEXZFYDX-UHFFFAOYSA-N 390.303 2.547 0 1 GFAF O=C(Nc1cccc(Cl)c1)[C@H]1C(=O)c2cc(Cl)ccc2OS1(=O)=O 957936827 DEWYBPORPAXPCJ-CQSZACIVSA-N 386.212 2.906 0 1 GFAF O=C(O)COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)cc1 13440609 DDQXUIVHSGWOEU-UHFFFAOYSA-N 395.459 2.678 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2CO)cc(OC)c1O 15161120 SGRRPSBKBJVKJE-BMSLLPBFSA-N 388.416 2.633 0 1 GFAF in-vitro Cc1nc(N2CC(c3nc4c(F)cccc4n3C)C2)cc(-n2nc(C)nc2C)n1 205349398 XICXHHHEQUMRIG-UHFFFAOYSA-N 392.442 2.612 0 1 GFAF COc1ccc2c(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccc(F)cc3)nn2n1 28369555 KOFMTMMWWZKHPS-UHFFFAOYSA-N 398.419 2.858 0 1 GFAF CCCCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O 103185916 DPCYMSIIVSZILS-AEFFLSMTSA-N 398.891 2.842 0 1 GFAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc(C)c1c2C 26823571 ZKSQCGQXRRMBMP-QFIPXVFZSA-N 376.412 2.696 0 1 GFAF CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCC(=O)N2C 28244288 KNIXJTUVNQWAHS-AWEZNQCLSA-N 379.888 2.690 0 1 GFAF CO[C@H]1O[C@@H](OC)[C@]2(O)CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]12O 2356391695 ZREXTCZRHMQYKD-UVYBXBHASA-N 396.524 2.646 0 1 GFAF COCCOc1ccc2nc(-c3ccccc3O)nc(N[C@H]3CCNC3)c2c1 66099718 HZSNYQGOMPDDNA-AWEZNQCLSA-N 380.448 2.801 0 1 GFAF Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2C[C@@H]3NS(C)(=O)=O)ncc1Cl 218994554 PZZQRDUOMXENJO-KCXAZCMYSA-N 392.912 2.764 0 1 GFAF CN1CCN(Cc2ccc(-c3cnc(N)nc3-c3ccccc3O)cc2)CC1 71317924 CPNZZKZUNKWMBL-UHFFFAOYSA-N 375.476 2.846 0 1 GFAF COCc1nc(N2CCCNCC2)c2c(C)nn(-c3cccc(Cl)c3)c2n1 35990600 ZOPMSAOVOPCQGZ-UHFFFAOYSA-N 386.887 2.723 0 1 GFAF CC(C)(C)c1c/c(=N/S(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)[nH][nH]1 71315868 YHYXRYXPBZEVFS-GZBFAFLISA-N 389.525 2.925 0 1 GFAF COc1ccc(-c2nc(C(=O)N(CC(=O)O)Cc3ccccn3)c(C)o2)cc1 40935591 IGPGDBOSCUYVPC-UHFFFAOYSA-N 381.388 2.781 0 1 GFAF Cc1sc2ncnc(SCC(=O)N3CC(=O)N4CCC[C@H]4C3)c2c1Cl 1911578612 TTZOLIYFIVLROB-JTQLQIEISA-N 396.925 2.578 0 1 GFAF CCCCNc1nc(N2CC[C@H](NC(C)=O)C2)nc2cc(OC)c(OC)cc12 82129770 PJBKETKUHPYQFT-AWEZNQCLSA-N 387.484 2.574 0 1 GFAF CC[C@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F 221359793 DRFNXSLLFSRQGB-YGRLFVJLSA-N 392.862 2.992 0 1 GFAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC[C@H](CO)C1 143330461 YVTKRVLITNHGEM-HXPMCKFVSA-N 377.362 2.920 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1 95867835 ZBNDOCCMKSOYDY-IBGZPJMESA-N 399.441 2.845 0 1 GFAF CCOCCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(OC)ccc1OC 617964398 KQXIYGJDPIZBEA-UYTDBDHRSA-N 380.466 2.917 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3ccc(Br)nc3[nH]2)CC1 586951922 BKRSVSLWYUUWKJ-UHFFFAOYSA-N 387.303 2.640 0 1 GFAF Cc1nccc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc12 586942965 SJMDCRJALDJDHV-UHFFFAOYSA-N 387.284 2.569 0 1 GFAF COC(=O)C1=C[C@]2(N[C@H](C)Cc3c(OC)ccc(OC)c32)c2ccccc2O1 963639585 VUNOYOAENQJIMJ-DMZKTXOQSA-N 381.428 2.931 0 1 GFAF CN(C)C(=O)Cc1cc(-c2ccc(C(=N)N)cc2)oc1-c1ccc(C(=N)N)cc1 1772582335 DOFGCQPLHJKADO-UHFFFAOYSA-N 389.459 2.812 0 1 GFAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCC[C@@H](c3ccccc3)C2)c1 1772607702 DUVLGZHVLHPLOD-YUIUBULTSA-N 377.444 2.686 0 1 GFAF COc1ccc(CC[C@@H](C)NC[C@H](O)c2ccc(O)c([S@@](C)=O)c2)cc1 11726815 PAQZZCOZHPGCFW-XMFFZQKXSA-N 377.506 2.783 0 1 GFAF in-man O=C1CCc2cc([C@@H](O)CN3CCC(O)(c4cccc(F)c4)CC3)ccc2N1 3819240 ZTOSZJPNPROTBL-FQEVSTJZSA-N 384.451 2.727 0 1 GFAF CNCCN[C@@H]1CC[C@]23[C@H](O)C[C@@]4(C)CCC[C@@](O)(C4)[C@@H]2C[C@]32CCC[C@@H]12 2356367647 GXLSAOIQBAQVQI-HBURNZGTSA-N 376.585 2.827 0 1 GFAF O=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)NCCO 28356699 LHMCEDJWQXHUPG-UHFFFAOYSA-N 382.391 2.719 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCC[C@@H]1C 20154285 WBFXFVHIMIAONG-IHRRRGAJSA-N 390.596 2.843 0 1 GFAF COC(=O)[C@@H]1CC(=O)N(c2cccc(OCc3nc4ccccc4n3C)c2)C1 27318580 ZDDGZJOYZDTYGI-CQSZACIVSA-N 379.416 2.678 0 1 GFAF O=C1Nc2ccccc2C2=N[C@@H](CNC3CCN(Cc4ccccc4)CC3)CN12 22940656 LXMVTGMMESIRBY-IBGZPJMESA-N 389.503 2.917 0 1 GFAF O=C(OCCCc1cccnc1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1 27559527 KQLRLYLKDPJCLG-IBGZPJMESA-N 388.489 2.552 0 1 GFAF O=C1c2cc3c(cc2OCN1CCc1cccc(F)c1)C(=O)N1CCC[C@@H]1O3 72127950 ZIKNBGOCKMBXMD-IBGZPJMESA-N 382.391 2.815 0 1 GFAF Nc1ccc(C(=O)NCC(=O)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1 72175852 RLDSQUSWENLUNG-UHFFFAOYSA-N 388.427 2.716 0 1 GFAF O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 82209215 CILLLLJTUJBNHV-LJQANCHMSA-N 388.471 2.895 0 1 GFAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN)[C@H]3c1ccc2oc(=O)[nH]c2c1 45336863 BFZDASYLHREFDS-NRFANRHFSA-N 390.443 2.734 0 1 GFAF CCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 43192675 VHDNEAFNRKTMDL-UHFFFAOYSA-N 395.403 2.521 0 1 GFAF CCCSc1nc(N(C)C)ncc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95580088 VQFHRWVKAMEZEK-JTNPJKAGSA-N 390.553 2.714 0 1 GFAF COC1CN(C(=O)c2c(NC(=O)CN3CCCCC3)sc3c2CCCC3)C1 95559533 ZHDSGHIHVLDCEF-UHFFFAOYSA-N 391.537 2.522 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCC(O)CC1 587237515 RSQNPPVPJVZFJG-UHFFFAOYSA-N 389.452 2.989 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)c(C)cc3[nH]2)[C@@H](C)O)cc1 586936047 GXMAOKYUMRMELK-ACJLOTCBSA-N 389.477 2.589 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587085839 KJNMKEXGAKJUBQ-UHFFFAOYSA-N 376.869 2.942 0 1 GFAF COc1ccc2c([C@@]3(C(O)O)CC(=O)c4cc(C)cc(N)c4O3)cccc2c1 587404690 YSMJRKAGBCOGBV-JOCHJYFZSA-N 379.412 2.910 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1c[nH]nc1-c1ccc3c(c1)OCO3)NCC2 962930564 YQKYQCCQTSRXIC-OAQYLSRUSA-N 390.443 2.742 0 1 GFAF Cc1nsc(N)c1[C@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962630076 JLMAUSCEMBNLQE-PSLIRLAXSA-N 387.383 2.795 0 1 GFAF C[C@H]1CN(C(=O)OCc2ccccc2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F 13804128 KAEADZGLPHVLAV-OGHNNQOOSA-N 388.386 2.558 0 1 GFAF NC(=O)c1cnc(N[C@H]2CC[C@@H](N)CC2)c2nc(-c3ccc(Cl)cc3)cn12 101677378 DIVVQJIIRBQSMU-HDJSIYSDSA-N 384.871 2.830 0 1 GFAF CO[C@H]1CCN(C(=O)C2CCN(c3cncnc3-c3ccc(F)cc3)CC2)C1 1857579857 IJAVAHHYIVEODK-SFHVURJKSA-N 384.455 2.746 0 1 GFAF O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1cc(O)cc(O)c1)c1ccccc1 101644925 NVMXPYIQUOIQFV-NLEAXPPASA-N 383.444 2.984 0 1 GFAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNC(=O)NC2CCCCC2)COC1 2356302510 XGKQQXXLDKTCIJ-OAHLLOKOSA-N 386.452 2.526 0 1 GFAF COC(=O)c1ccc(O[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356336246 IZKLETPXYKZIMI-CWTRNNRKSA-N 376.405 3.000 0 1 GFAF CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)c1 216474298 HWMOBKCNNBAOSF-UHFFFAOYSA-N 385.475 2.850 0 1 GFAF Cc1cc(CCNc2ncc(Br)c(Nc3cc(C)[nH]n3)n2)on1 84731552 VRRTYIHFHYFVTA-UHFFFAOYSA-N 378.234 2.965 0 1 GFAF COc1ccc(S(=O)(=O)Nc2ccc(C(=O)CSC(C)=O)cc2)cc1 40933997 YMZSWWDGISDUHP-UHFFFAOYSA-N 379.459 2.958 0 1 GFAF CCCS(=O)(=O)Nc1cc(N[C@H](C)CO)nc(SCc2ccccc2)n1 143515680 DYORWMSJMOXXEM-CYBMUJFWSA-N 396.538 2.713 0 1 GFAF Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(C(F)(F)F)nc1 84634655 RKZZEGZZRGWGCR-UHFFFAOYSA-N 377.248 2.788 0 1 GFAF CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(F)cc3)n2)CC1 82139346 FJNGJOUBCAWDMG-UHFFFAOYSA-N 384.455 2.991 0 1 GFAF CC(=O)N1CC[C@@H]2[C@@H]1C(=O)N(C1CCCCC1)C(=O)N2Cc1cccs1 25410224 ZRNOWCKQPKVSOE-IAGOWNOFSA-N 375.494 2.834 0 1 GFAF biogenic OC[C@H]1[C@@H](c2ccccc2)C2(CN(Cc3cccnc3)C2)N1Cc1ccncc1 95667779 SKIWLGNEMXYBPI-XZOQPEGZSA-N 386.499 2.692 0 1 GFAF O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95893438 WNFOQKHCSKOLHA-HKBOAZHASA-N 391.471 2.588 0 1 GFAF Cc1ccn2c(CCCCO)c(Cn3c(=O)n(C4CC4)c4ccncc43)nc2c1 299850112 AJQRPZUGHFLYHR-UHFFFAOYSA-N 391.475 2.852 0 1 GFAF CCOC(=O)c1cc2c(nc1O)CCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437365 YWNKCYCIHRKZNH-QRQCRPRQSA-N 395.411 2.952 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587432465 MAKPLDPXRWSFOH-QKKBWIMNSA-N 381.384 2.959 0 1 GFAF COC(=O)c1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cn1 587162637 XWEMHNZFOYDBCC-UHFFFAOYSA-N 386.774 2.844 0 1 GFAF COC(=O)CC1(O)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587607059 HAQLJIXMLWCACY-OSFYOIPJSA-N 398.411 2.961 0 1 GFAF Nc1ncccc1Cc1nc2c(I)cnc(Cl)c2[nH]1 587254331 RLMJKOJLIWEYRR-UHFFFAOYSA-N 385.596 2.784 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1cc(N4CCC(O)CC4)ccc1N)[C@@H](C2)C3=O 587443152 LDGDTQOBLRRMDQ-MBSDFSHPSA-N 394.471 2.901 0 1 GFAF Cc1c(C(=O)c2c(-c3cnn(C)c3C)[nH]c3c(C(=O)O)cccc23)cnn1C 587639341 SHVNSTILMIMGPJ-UHFFFAOYSA-N 377.404 2.848 0 1 GFAF COC(=O)c1[nH]c2cccc(OC)c2c1[C@H]1NCCc2nc3ccccn3c21 962987221 VIBYBPKEWDQZPE-GOSISDBHSA-N 376.416 2.846 0 1 GFAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)CNCCCc1ccccc1 13447986 BWGNSQHTELSYGX-GCJKJVERSA-N 383.536 2.606 0 1 GFAF CCC(=O)N/[S@](=N/S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 17222074 QQDLLWKHFAEWNP-IBGZPJMESA-N 377.702 2.946 0 1 GFAF CN1c2ccccc2C(=O)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S1(=O)=O 18159272 SUMBGHOHNVWWMY-OAHLLOKOSA-N 399.255 2.963 0 1 GFAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]12C[C@@H]1[C@H](N=O)c1ccccc1O2 169728748 MZNKZHJGVLNPEC-BZSOYRFXSA-N 380.400 2.546 0 1 GFAF C[C@H](O)C(=O)N[C@H]1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204995645 ABOAFLYBEQQYKZ-DJJJIMSYSA-N 379.460 2.532 0 1 GFAF COc1ccc(N2C(=O)NC(=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1F 1857641260 PAPQXPJLXUPEKQ-INIZCTEOSA-N 390.367 2.658 0 1 GFAF Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2c(C)n1 148213957 DCLSWIKQWGLODE-UHFFFAOYSA-N 388.475 2.830 0 1 GFAF Cc1ccc(CNC(=O)Cn2cnc3c(NCc4ccccc4)ncnc32)o1 61945278 ZUWIAPFULTZRPK-UHFFFAOYSA-N 376.420 2.656 0 3 GFAF COc1cc([C@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@H]2C(=O)O)ccc1O 2356564944 JTHPLBUVRLOJBB-QZTJIDSGSA-N 386.356 2.809 0 1 GFAF COCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 82209684 SLLYSKSZBDZPJS-INIZCTEOSA-N 386.496 2.519 0 1 GFAF COC(=O)[C@@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C 82082609 SUVZJIALMPDRST-HNNXBMFYSA-N 378.450 2.755 0 1 GFAF CCN(CC)CCNC(=O)c1cc2cc(I)ccc2[nH]1 40976354 JTMKNYLXVAZTIN-UHFFFAOYSA-N 385.249 2.844 0 1 GFAF COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(O)c2)c(OC)c1 96908640 GZAXTJIYUCUXDY-BQYQJAHWSA-N 395.433 2.839 0 1 GFAF C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 621486015 ZDAPQXQHHKETKF-SNVBAGLBSA-N 393.292 2.614 0 1 GFAF O=C1OCC2=C1[C@]1(C(=O)Nc3c(F)cccc31)c1c(-c3ccccc3)n[nH]c1N2 299857447 CXGYDRDGBYXSAF-NRFANRHFSA-N 388.358 2.690 0 1 GFAF CCc1cc(O)nc(SCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)n1 586966897 QHZCFCMVXUYZQC-UHFFFAOYSA-N 396.476 2.669 0 1 GFAF N[C@@H](Cc1ccc(I)cc1)c1nc2c(Cl)ncnc2[nH]1 587183826 IYVCXQKJDKPZAV-VIFPVBQESA-N 399.623 2.853 0 1 GFAF CN(C)[C@H](Cn1c(O)cc(CCC(=O)O)c1O)c1cccc(Br)c1 587940494 PNIKNXOSPJHGGH-CQSZACIVSA-N 397.269 2.982 0 1 GFAF CCOc1cc(CC(C)=O)c(OCC)n1-c1c[nH]cc(Br)c1=O 587942398 XOTQMFFWCQWMLM-UHFFFAOYSA-N 383.242 2.857 0 1 GFAF CCCCNC(=O)[C@@]1(C(=O)c2ccc(OC)cc2)CC(c2ccccn2)=NO1 203474121 FKLWFMNCPGDIOS-NRFANRHFSA-N 381.432 2.753 0 3 GFAF COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCN(C)CC4)cc3)oc12 1857589366 CXBVJVBBNQUPFG-UHFFFAOYSA-N 382.416 2.632 0 1 GFAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@@H]1O 2356308892 HZSDEDOYFCTAET-LHAMJQMISA-N 390.568 2.963 0 1 GFAF COC1=C2C=CO[C]2Nc2cc(OC)c(OC[C@@H](OC(C)=O)C(C)(C)O)cc21 2356315202 DRVBUSXBBGCSCU-QGZVFWFLSA-N 390.412 2.593 0 1 GFAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC=CC(=O)OC)[C@H](C)[C@@H](O)[C@@H]2C 2356327989 MSFATTXTDHLTMG-DYCDRHSKSA-N 396.524 2.832 0 1 GFAF CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)C(F)(F)F)cc1 3814926 ZFUKPZOQUMPCIJ-UHFFFAOYSA-N 376.342 2.571 0 1 GFAF C[C@H](NC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(=O)O 28474739 QGPCINKYBMXWEQ-AOMKIAJQSA-N 396.443 2.600 0 1 GFAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)N1CCCCC1 28702077 UDUANNRKCXGSDD-KRWDZBQOSA-N 386.452 2.811 0 1 GFAF O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 101367365 QDNGVIMUWLFPTA-LWWSYDQCSA-N 376.865 2.861 0 1 GFAF C[C@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)[C@@H]1C 61916059 JDPIQTJSTHWUOZ-CHWQCYJSSA-N 396.491 2.572 0 1 GFAF O=C([C@@H]1C[C@@H](Oc2cccc(Cl)c2)CN1)N1CCCN(C2CCC2)CC1 72181617 CYVDMGAAGFJWCN-MOPGFXCFSA-N 377.916 2.536 0 1 GFAF CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1csc(Nc2ccccc2)n1 82085853 COTGTYOFRSWBQH-UHFFFAOYSA-N 390.509 2.842 0 1 GFAF CCOCCOCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 84688024 PXXARGWDDKZJOP-UHFFFAOYSA-N 396.528 2.631 0 1 GFAF NCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 82081447 VBQGBQHFTXHVEU-GOSISDBHSA-N 393.443 2.849 0 1 GFAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](N)CO)cc12 653728694 MUFUIHUSGVASCG-QGZVFWFLSA-N 382.460 2.873 0 1 GFAF FC(F)(F)Oc1cccc(Nc2nnnc3ccc(N4CCOCC4)nc23)c1 653782485 JTJYSHDAUKKNIK-UHFFFAOYSA-N 392.341 2.899 0 1 GFAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428404 YVMBFHRGQGBXTO-QRQCRPRQSA-N 398.386 3.000 0 1 GFAF O=C1c2ccc(O)cc2O[C@]2(CN=CNc3[nH]cnc32)[C@H]1c1ccc(F)cc1 587346306 LVSZIJPTZFSPTR-OXJNMPFZSA-N 378.363 2.963 0 1 GFAF CCn1ncc(N)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660103 CEVDVUNFGIZATM-UHFFFAOYSA-N 377.379 2.690 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)cnc2[nH]1 587231441 ODVROHOCCOEARA-NWDGAFQWSA-N 381.274 2.757 0 1 GFAF N=C(N)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144280 KZHICFMTSJNSLY-GFCCVEGCSA-N 376.233 2.991 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCS4(=O)=O)cc1)[C@@H](C2)C3=O 587450483 GYFMHWKIQXCBDT-UWJYYQICSA-N 399.468 2.898 0 1 GFAF O=S(=O)(c1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2c1)N1CCOCC1 587056122 YZQBGAOVNNWFEJ-UHFFFAOYSA-N 393.852 2.610 0 1 GFAF CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCN1CCOCC1 13533578 IPOLCTBUZVPHPX-UHFFFAOYSA-N 394.512 2.959 0 1 GFAF COc1ccc(C[C@]2(CCC(=O)NCc3ccccc3)CCC(=O)N2)cc1OC 14989628 HBVYTXDEMOVRSW-QHCPKHFHSA-N 396.487 2.992 0 1 GFAF N[C@@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC[C@H]1F 205254016 XWSXADANHDIBHB-HZPDHXFCSA-N 389.438 2.957 0 1 GFAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)cc2)CC1 207252533 AIWRATIZFHITQS-UHFFFAOYSA-N 382.917 2.956 0 1 GFAF COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1O 1647154 UHHDDYKSLMZWAD-UHFFFAOYSA-N 388.328 2.626 0 1 GFAF CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@H]2C(=O)OCCO[N+](=O)[O-])cc1 103284240 FLLBPVMOJOZHOR-YJBOKZPZSA-N 392.452 2.731 0 1 GFAF C[C@@H](n1cc(-c2ccccc2)nn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 59900253 RMNWSQAZIZFDSC-JLTOFOAXSA-N 396.401 2.964 0 1 GFAF O=C1[C@@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc2N1C1CCNCC1 27843511 JURAMDVFIYNCNX-LJQANCHMSA-N 387.842 2.734 0 1 GFAF CC[C@]1(F)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c4c(ccc3nc2-1)OCO4 25964441 HGXPLFNEJZEVMI-OAQYLSRUSA-N 394.358 2.786 0 1 GFAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@](C)(O)C(=O)CC[C@]3(C)O)[C@@H]21 2356546051 XTZRJSQVKAGUBF-ZESYJRAJSA-N 396.524 2.629 0 1 GFAF CCOC(=O)[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)C(C)C 27556613 YLZSFWCVLWBLSL-AWEZNQCLSA-N 395.253 2.817 0 1 GFAF CCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)CC1 20138937 UUHGVIRYFOYJIC-FGZHOGPDSA-N 389.499 2.688 0 1 GFAF CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H](C(=O)C[C@]34C[C@H]5C[C@H](O[C@@]5(C)C3)[C@H]42)C1(C)C 38321793 QAPUXGXVLBHYJQ-IFZMFNAGSA-N 376.493 2.878 0 1 GFAF biogenic,in-vitro O=C(Nc1ccccc1)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1 36387755 BEVXSEIEFSYYAK-UHFFFAOYSA-N 375.432 2.624 0 3 GFAF CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)/C=C/CN(C)C)c3)c12 218983359 FFEKIHZPWVHWSQ-RMKNXTFCSA-N 393.447 2.858 0 1 GFAF COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1 43120506 HERIZPADSDINJL-UHFFFAOYSA-N 393.443 2.798 0 1 GFAF O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCC(c2nc(-c3ncccn3)no2)CC1 43024632 DIYUAKHOKKCOEE-IRXDYDNUSA-N 390.447 2.972 0 1 GFAF C[C@]1(c2ccccc2)Sc2nncn2N=C1c1ccc2c(c1)NC(=O)CO2 82151834 KPJQPEQKKOQWEV-LJQANCHMSA-N 377.429 2.883 0 1 GFAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCCOc1ccccc1C(F)(F)F 96933063 RBUFLPZYFALJNJ-OAHLLOKOSA-N 399.413 2.881 0 1 GFAF CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CC1)C(=O)c1ccccn1 95895648 YIACDIBXRYVPNT-YPAWHYETSA-N 379.504 2.783 0 1 GFAF CC1(C)C(=O)CC[C@]2(C)C1=CC[C@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 263591391 ANIDXNZCYPDMLG-ISRRBBLTSA-N 388.504 2.626 0 3 GFAF CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCC[C@H]1C 299885795 WBFXFVHIMIAONG-RDBSUJKOSA-N 390.596 2.843 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1cccc4c1N(S(C)(=O)=O)CC4)[C@@H](C2)C3=O 587451539 ZFEAPTMLOFJTMJ-MGPUTAFESA-N 385.441 2.506 0 1 GFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(OCCN(C)C)cc3[nH]1)C2 587247274 OHWUXBMNEBKRDX-QFIPXVFZSA-N 380.492 2.855 0 1 GFAF CC1=C[C@]2(c3c(Cl)ccc4c3CCN2[C@H]4C(=O)O)[C@H](c2cc[nH]n2)C(=O)O1 962577187 VTDJOROMTSQKEW-MDZRGWNJSA-N 385.807 2.500 0 1 GFAF COC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497245 WMTBKKBQNKWDRP-RQXXJAGISA-N 396.418 2.516 0 1 GFAF COc1ccc([C@H](C)N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 169295327 VTUBHADBCXCYLY-QAMYQUNZSA-N 385.460 2.737 0 1 GFAF COc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCNCC2)c(=O)n4C)cn1 203414310 KQZZSMVSVVANOL-UHFFFAOYSA-N 389.459 2.883 0 1 GFAF Fc1cccc([C@H](CN2CCN(c3cnccn3)CC2)NCc2ccccn2)c1 116237874 AXYISTPQBOLRRQ-NRFANRHFSA-N 392.482 2.664 0 1 GFAF CN1CCN(c2nccc3sc(S(=O)(=O)Nc4ccccc4)cc23)CC1 3819727 FNQLRHYDEJWETF-UHFFFAOYSA-N 388.518 2.849 0 1 GFAF COc1ccccc1CNC(=O)CSc1n[nH]c2c3ccccc3nc-2n1 104996375 JLGDKSOTLCJTBN-UHFFFAOYSA-N 379.445 2.875 0 1 GFAF O[C@@H]1[C@@H](NCc2ccccc2F)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 2356298183 ZRFIJLSFTZPRMZ-YHINDDMVSA-N 395.434 2.505 0 1 GFAF O=C(Cc1cccc2ccccc12)Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1 103199393 VMQFAPJWYMVQGW-LJQANCHMSA-N 390.464 2.903 0 1 GFAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 61904399 AAXKWRZLAIGHCB-KRWDZBQOSA-N 388.386 2.590 0 3 GFAF NS(=O)(=O)c1ccc([C@H](Nc2ccccn2)C(=O)c2ccc(F)cc2)cc1 27519718 KHQIMHGZGQLMJM-SFHVURJKSA-N 385.420 2.904 0 1 GFAF CC[C@@H]1C(=O)OCc2c1c(C(=O)OC)c1n(c2=O)C[C@H]2Cc3ccccc3C[C@@H]12 27420658 ZBPGREPSDSAIEH-OWCLPIDISA-N 393.439 2.698 0 1 GFAF CN(CCc1ccccn1)CC[C@@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)O 2356654033 VFRYVLCZPPOAOB-ZWKOTPCHSA-N 399.491 2.792 0 1 GFAF O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)C1CCCCC1 64564662 IMZUSNSDEGARQA-UHFFFAOYSA-N 399.535 2.963 0 1 GFAF CN(CCc1ccccc1)CC[C@@H]1CC[C@@H](O)[C@@H](C(=O)NC2CCCCC2)O1 2356809700 ASECAGMAWJCWNQ-BDTNDASRSA-N 388.552 2.908 0 1 GFAF CC(C)(O)[C@H]1CC[C@@](C)(C=CC=C(CC(=O)c2cc(O)ccc2O)C(=O)O)O1 2356861349 UHWQEZRJCQBGPF-WIYYLYMNSA-N 390.432 2.946 0 1 GFAF O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2(O)CCCC2)CC1 218946167 SKKYHDJGXVGZHH-UHFFFAOYSA-N 378.472 2.943 0 1 GFAF COc1ccc2ccc(=O)oc2c1[C@@H]1O[C@H]1[C@@](C)(O)COC(=O)CC(C)C 13383925 BDNFWOZHIWESCR-ZCNNSNEGSA-N 376.405 2.582 0 1 GFAF biogenic Cn1nc(C(N)=O)c2c1-c1nc(Nc3cccc(C(F)(F)F)c3)ncc1CC2 49088598 AHUQZOZSCWOMOS-UHFFFAOYSA-N 388.353 2.837 0 1 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@@H]1CC[C@H](O)C1 1911578846 RRLQWYCNAUBUTL-ZJUUUORDSA-N 380.330 2.701 0 1 GFAF CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205830 AAMZGWROUKMVRH-HZPDHXFCSA-N 398.463 2.640 0 1 GFAF COC(=O)Cc1nnn2c1[C@H](C)[C@H](c1ccccc1Br)OCC2 95604291 KJRCJRSCHYTGLO-MGPLVRAMSA-N 380.242 2.631 0 3 GFAF CC/C=C/[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 299811470 XNUWGEPKIOWLHQ-UDIMXNCBSA-N 385.460 2.866 0 1 GFAF COC(=O)c1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587586635 JDFVWNVRPMKELJ-APWZRJJASA-N 378.340 2.672 0 1 GFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1ccccc1-c1nn3nnnc3nc12 962946856 MBBYBOVSQDRGOQ-VERVWZFWSA-N 394.442 2.592 0 1 GFAF COc1ccc(-c2ccc3c(c2)N(CCN2CCOCC2)C(=O)COC3)c(C)c1 205224391 KDYNAZHSTIUARD-UHFFFAOYSA-N 396.487 2.866 0 3 GFAF CNC(=O)Nc1cc(Oc2ccc(C)nc2)c(-c2ccc(OCCO)nc2)cn1 1857570030 OLNUGXYTYZWEJW-UHFFFAOYSA-N 395.419 2.762 0 1 GFAF COc1ccc2c(c1OC)CN1[C@H](CC(=O)O)Cc3cc4c(cc3[C@H]1C2)OCO4 1857616810 NUGPYECDTBLMCS-WMLDXEAASA-N 397.427 2.931 0 1 GFAF CC(=O)N1CCC[C@H](COc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)C1 28961036 JRPKDTFSNDNAPM-HNNXBMFYSA-N 392.459 2.966 0 1 GFAF O=C(c1cccc(NS(=O)(=O)c2cccnc2)c1F)c1c[nH]c2ncncc12 113490038 KBCSWYYCXBAYQT-UHFFFAOYSA-N 397.391 2.524 0 1 GFAF O=c1[nH]c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nc2[nH]1 72124620 ADDGEJWTQLPRHJ-UHFFFAOYSA-N 379.342 2.713 0 1 GFAF NCCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2[n+]1[O-] 36383467 UNAZDFNJXMFOQG-UHFFFAOYSA-N 379.247 2.744 0 3 GFAF COC(=O)CCSC/C=C(\C)CCn1cc(CCO[C@@H]2CCCCO2)nn1 84713628 BIWMTPWFIZQUGK-DDBXPCSUSA-N 397.541 2.997 0 1 GFAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnc(Cl)c(F)c1 221677625 KFYDKIZAFGPBDT-JOAULVNJSA-N 399.785 2.682 0 1 GFAF Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2[C@H]1CC[C@@H](O)CC1 142046259 FTIGHKKHDLYCOC-SHTZXODSSA-N 390.447 2.701 0 1 GFAF COc1cc2oc(-c3cc(O)c(OC)c(OC)c3O)cc(=O)c2c(O)c1OC 238770971 BOUHNZOOEAPJQG-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF O=C1N[C@@H](CSC23CC4CC(CC(C4)C2)C3)N[C@@H]2C[C@H](C(=O)O)CC[C@H]12 618014389 NIWGRKFNYIWXJH-CXDRWHTLSA-N 378.538 2.603 0 1 GFAF COc1ncnc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584502 AOQSBRAPQSECHO-RDTXWAMCSA-N 380.356 2.902 0 1 GFAF Cc1nccc2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc12 587128533 MGVXBMKUUGHQCX-UHFFFAOYSA-N 376.342 2.690 0 1 GFAF CCNC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587433682 UJGYBMCRBNSSFR-QRQCRPRQSA-N 397.427 2.707 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cnn(C)c2)N1 587762471 FIEJFPMEUNMNCW-QGHHPUGFSA-N 396.260 2.964 0 1 GFAF COc1ccc(-c2nnc(-c3ccc4nc([C@@]5(N)CCOC5)[nH]c4c3)o2)cc1 587248175 HDNWIJVSYSDFFY-HXUWFJFHSA-N 377.404 2.863 0 1 GFAF Oc1nc(O)c2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1 587183560 DVOGMBXBQSVAFO-UHFFFAOYSA-N 388.552 2.689 0 1 GFAF Cc1ccc(-n2nccn2)c(C(=O)N[C@H]2CCC[C@@H]2Nc2cnc(Cl)cn2)c1 1772632676 ZCFBDTIFPRLITE-GJZGRUSLSA-N 397.870 2.782 0 1 GFAF O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccc(Cl)c(Cl)c1 13153011 YEFCTMCIJSAHED-QBXIEPPVSA-N 377.227 2.691 0 1 GFAF COc1cc(OC)c2c(O)c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1 6522656 YOUVPIGGTYYNKM-UHFFFAOYSA-N 376.386 2.657 0 1 GFAF COc1ccccc1-c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ncn1 117308721 SCLYEXMAVIVPDQ-UHFFFAOYSA-N 398.444 2.776 0 1 GFAF COc1ccc2nc(C[C@@H]3CN(C(=O)NC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305727 AYDUXYKTANCQHF-ZIAGYGMSSA-N 388.468 2.645 0 1 GFAF CC=C(O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O)C(=O)O 2356474914 IBSXOQJJZICENO-ZWKOTPCHSA-N 388.372 2.942 0 1 GFAF CNC[C@]1(C)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27525789 JIHVBCSFXGQPKH-FQEVSTJZSA-N 391.418 2.749 0 1 GFAF CO[C@@H](CN1CCN(C[C@@H](O)[C@H](OC)c2ccccc2)CC1)c1ccccc1 22861995 VSTNNAYSCJQCQI-XPWALMASSA-N 384.520 2.740 0 1 GFAF in-man COc1cc(-c2ccc(-c3cn(CNC(C)=O)oc3=O)cc2)cc(OC)c1OC 28524959 DWNZNGNUFUEXBS-UHFFFAOYSA-N 398.415 2.895 0 1 GFAF C[C@@H](CN1CCN(c2cccc(Cl)c2)[C@@H](C)C1)Cn1nc2ccccn2c1=O 27083269 LOEADZDEGAOQMK-IRXDYDNUSA-N 399.926 2.996 0 1 GFAF O=C(c1cccnc1)N1CCN2C(=O)c3ccncc3[C@@]12c1ccc(Cl)cc1 115087175 QZSZPSDRJPPZDZ-NRFANRHFSA-N 390.830 2.943 0 1 GFAF in-vitro COc1cc([C@@H]2CC[C@H]3[C@H]2C(O)(O)O[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356769088 WMZWZCHVRDZUQP-FEBSWUBLSA-N 388.416 2.635 0 1 GFAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(F)c(F)c1 221906769 WAPMSDNNNKZXNB-ATEUNZGCSA-N 382.342 2.773 0 1 GFAF CC[C@@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(F)cc2)n1 82140978 LRWWICXEOGDXSM-CQSZACIVSA-N 399.470 2.797 0 1 GFAF C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCC(C)(C)N(C)C 82070767 JALYHJIVPKXZKW-ZDUSSCGKSA-N 375.494 2.812 0 1 GFAF O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 40913527 AAGFKZWKWAMJNP-UHFFFAOYSA-N 382.383 2.681 0 1 GFAF CC1(C)COCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146325295 HKYMBPFAXUPGAT-UHFFFAOYSA-N 381.423 2.577 0 1 GFAF CNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cn2)cn1 96175577 QDELDABBWWAQRY-UHFFFAOYSA-N 388.435 2.834 0 1 GFAF O=C(Nc1nccs1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 95601506 UWUBCDGFCYUYPR-INIZCTEOSA-N 392.440 2.569 0 1 GFAF CC(=O)N1[C@@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)C12CN(C(=O)C1CC1)C2 95794572 LNSNZMRCRLNWNI-LEWJYISDSA-N 380.488 2.552 0 1 GFAF O=C(c1ccc(Cl)c(Cl)c1)N1CCn2c(nnc2-c2cnccn2)C1 95565693 INKWKJKHJJUEDX-UHFFFAOYSA-N 375.219 2.698 0 1 GFAF c1cncc(-n2c(CO[C@@H]3CCCCO3)nnc2SC[C@H]2CCOC2)c1 618017671 UVKVIZAJYSJYKQ-WMLDXEAASA-N 376.482 2.834 0 1 GFAF NS(=O)(=O)c1ccc(-c2ccc([C@H](O)c3ccc(C(=O)O)cc3)cc2)cc1 473148665 GTYOZBBDZYFUBX-IBGZPJMESA-N 383.425 2.781 0 1 GFAF COc1cc([C@H]2CC(=O)Oc3cc4c(c(OC)c32)OCO4)cc(OC)c1OC 653835484 ZOVZJIOKQOFMJB-LLVKDONJSA-N 388.372 2.891 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N(C)CC(=O)OCC)nc1)CC2=O 587466583 AIQANFIFALPXAC-GOSISDBHSA-N 399.447 2.841 0 1 GFAF COC(=O)[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587808799 PHECRVRAHPYUNP-VKHBWIJISA-N 384.245 2.860 0 1 GFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(Sc3nc[nH]n3)o2)N1 963240785 ZMMPEJOCBQKVEW-WMLDXEAASA-N 393.428 2.785 0 1 GFAF O=C(O)CC1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 13440570 TUHCZUTXAOSEHS-UHFFFAOYSA-N 386.496 2.681 0 1 GFAF CC(C)C(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344601 WXJKTTVGVITSOL-ONBYOPHZSA-N 395.499 2.862 0 1 GFAF COc1ccc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 169686041 DFMVDXRXZFVYQK-KGLIPLIRSA-N 399.453 2.764 0 1 GFAF COc1cccc(-c2nnn(CC(=O)Nc3cc(C)nn3C3CCCCC3)n2)c1 1857549464 LFFCOBIBLDHSAX-UHFFFAOYSA-N 395.467 2.998 0 1 GFAF Nc1ncnc2c1ccn2[C@@H]1C[C@H](/C=C/c2ccc3cccnc3c2)[C@@H](O)[C@H]1O 1857593648 XDAKIIHGALSVGF-DEPGCOPASA-N 387.443 2.558 0 1 GFAF O=c1c2c([nH]c3ccccc13)[C@@H](c1cc(CO)cs1)N(c1ncccn1)C2 1857646064 SJYCUPIPJNBBNZ-GOSISDBHSA-N 376.441 2.982 0 1 GFAF COc1ccc2cc(CNCCCCNCCCCN3CCNCC3)ccc2c1 28823681 QFCVELWSUSJEOD-UHFFFAOYSA-N 398.595 2.993 0 1 GFAF CC[C@]1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 4824476 ASVIEXKOXDCZDF-JOCHJYFZSA-N 390.395 2.650 0 1 GFAF biogenic CC(C)Oc1ccc(-c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 45358237 LICYGABGIVHXQG-GOSISDBHSA-N 392.411 2.542 0 1 GFAF C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CCO1 225645478 TUPNAVGCYXZCRL-CYBMUJFWSA-N 375.436 2.646 0 1 GFAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 86010695 BMPRGPGLZWJNOP-NKEHQQQJSA-N 378.465 2.897 0 1 GFAF in-man CC(C)n1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@@H](C)N2 82207146 CTLQCJRQWMPHJZ-LLVKDONJSA-N 398.385 2.916 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 82133528 OFNBTROOZSFPFN-UHFFFAOYSA-N 381.480 2.564 0 1 GFAF CC(=O)O[C@H]1CC[C@@H]2C(=CC[C@@H]3C[C@](C)([C@H](O)CO)CC[C@@]23C)[C@@]1(C)CO 238743350 WGHJHGDWAXWNRG-RVNDCVPVSA-N 380.525 2.823 0 1 GFAF CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2nc(Cl)cnc2N)cc1 473154074 DVYBGCUIIKCLFA-UHFFFAOYSA-N 377.832 2.989 0 1 GFAF COc1ccc(NC(=O)CNc2nc(O)c3cnn(C4CCCC4)c3n2)cc1 299819368 BXGYEZMSXWEQLG-UHFFFAOYSA-N 382.424 2.706 0 1 GFAF CCOc1c(NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O 653689989 LSEYCOSZAFYKSM-ZDUSSCGKSA-N 383.448 2.931 0 1 GFAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(=N)[nH]ccc2[nH]1 587181182 OIERWFHJTQUFFV-SSDOTTSWSA-N 382.209 2.810 0 1 GFAF COC(=O)c1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586638 JDFVWNVRPMKELJ-QFBILLFUSA-N 378.340 2.672 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN[C@H](C(=O)O)[C@H]31 586989362 GHYAYECDAZVGNR-KGHSUGRISA-N 386.407 2.854 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CC[C@@]1(CS(=O)(=O)O)C4(C)C)[C@@H](C2)C3=O 587451464 YEJDXYDUWAXDHP-MGFDPJTISA-N 392.473 2.896 0 1 GFAF Cc1cc2c(cc1O)[C@H](Cc1ncc(Br)s1)N[C@H](C(=O)O)C2 963467573 FXVCBEITGZELHA-QWRGUYRKSA-N 383.267 2.802 0 1 GFAF CCN1C=C(C(=O)O)[C@@]2(NCCc3c(C(=O)O)cccc32)c2cccc(OC)c21 963131682 NMSQCFYDDRFRTA-QFIPXVFZSA-N 394.427 2.591 0 1 GFAF Cc1nc(N)nc(N)c1C(=O)N1CCN(c2cccc(-c3ccccc3)c2)CC1 1772573471 MQSSQTPZKIZFRS-UHFFFAOYSA-N 388.475 2.579 0 1 GFAF COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3nccc3c2)CC1 1772584979 LKXCWTFZOCKBJZ-UHFFFAOYSA-N 393.491 2.884 0 1 GFAF CC1=C(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)OCCO1 12463443 KUZGJCZVAJNODG-MRXNPFEDSA-N 375.375 2.922 0 3 GFAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc(O)nc1 169194350 PXLUUNAXXOKUFJ-UHFFFAOYSA-N 376.416 2.592 0 1 GFAF CCCc1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 169322262 LNZXODVTCPWAAL-QGZVFWFLSA-N 391.427 2.784 0 1 GFAF CC(C)[C@H](C)CCCC[C@H](O)CC[C@H](O)C[C@H](O)CC[C@H](O)CC(=O)O 2356341695 UTDBTRDONDSBIO-SPOLIRPYSA-N 376.534 2.708 0 1 GFAF O=C(NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccc(F)c1 4888768 NYPUDUWVZDQKFW-UHFFFAOYSA-N 380.416 2.548 0 3 GFAF C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NS(C)(=O)=O)C1 29044238 OGKNCTFFGSQXAK-PHIMTYICSA-N 389.315 2.939 0 1 GFAF COC(=O)c1cc(NC(=O)c2cccs2)ccc1OC[C@@H](O)CNC(C)C 25978254 FWZXAMOOIOVRIH-AWEZNQCLSA-N 392.477 2.525 0 1 GFAF Cn1nccc1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl 116444771 LMSNGALZABVVRE-NSHDSACASA-N 394.809 2.912 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(CCc3ccccc3F)C2=O)cn1 115731552 VQTWRMDTIJKJLN-UHFFFAOYSA-N 397.410 2.687 0 1 GFAF CCCCCCC(=O)CCCCCCC=CC[C@@H]1OC(=O)[C@@](N)(CO)[C@@H]1O 2356629885 SWRBTIXRGZAKBN-QKNQBKEWSA-N 383.529 2.789 0 1 GFAF CO[C@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)C[C@@H](O)C(C)(C)O2 2356846470 OOGJVXKOBYYOLN-KNQAVFIVSA-N 396.439 2.992 0 1 GFAF CC(C)(Cc1cc(F)cc(F)c1)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 45370710 UWQJICGNPSDFOS-QGZVFWFLSA-N 392.402 2.646 0 1 GFAF CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3=O)nc3ccnn23)cc1 95554673 RDMUJEKAQCETGY-INIZCTEOSA-N 380.452 2.871 0 1 GFAF O=C(COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCOCC1 144819533 UGXSKPGLXLVTRI-IBGZPJMESA-N 393.361 2.703 0 1 GFAF NC(=O)Nc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587243785 QNWRQRXAYIPXJN-UHFFFAOYSA-N 379.161 2.720 0 1 GFAF CCOC(=O)CCCC(=O)NCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587388088 VWOCUAOPWVHBFU-CQSZACIVSA-N 376.453 2.541 0 1 GFAF CCOC(=O)c1cnc2n(c1=O)C=CC[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963105169 PJKDOYJTNMUTEV-NYHFZMIOSA-N 395.434 2.698 0 1 GFAF Nc1ncnc2c1c(Oc1ccc(F)c(Cl)c1)nn2CC1CCNCC1 1772575142 NNQNLIXHDLUEKW-UHFFFAOYSA-N 376.823 2.993 0 1 GFAF COc1ccc(CCNC(=O)C[C@H]2SC(NCc3ccccc3)=NC2=O)cc1 16044215 IZCHYIHMXURFAT-GOSISDBHSA-N 397.500 2.532 0 3 GFAF C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 3045965 BQNRGKURXRLXES-WMZOPIPTSA-N 385.574 2.514 0 3 GFAF Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCc2cccnc2)c2ccco2)cc1 8662519 XVANPDDDMYFMMJ-SFHVURJKSA-N 399.472 2.709 0 1 GFAF NC(=O)c1nnn(Cc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N 26716591 WESZQITXHYOFDD-UHFFFAOYSA-N 390.230 2.545 0 1 GFAF Cn1cc(-c2cnn3c(Nc4nccs4)cc([C@H]4CCCNC4)nc23)cn1 66101702 FETYCYPVRKGWBL-LBPRGKRZSA-N 380.481 2.797 0 1 GFAF CCN1c2nc(-c3ccccc3)c(-c3ccccc3)nc2C(N)=NS1(=O)=O 29404058 NXMRDDPVKSCASC-UHFFFAOYSA-N 379.445 2.601 0 1 GFAF c1nc(-c2n[nH]c3ccc(-c4ccc5ncnn5c4)cc23)cc(N2CCOCC2)n1 225566029 CKKQISJJHHVZFV-UHFFFAOYSA-N 398.430 2.566 0 1 GFAF COc1ccc(C(=O)Cc2ccnc3ccccc23)n2nc(C3(CO)CC3)nc12 139763260 STKNBMVQBHIVNK-UHFFFAOYSA-N 388.427 2.735 0 1 GFAF Cc1ncc(CO)c2c(Nc3ccccn3)c(NCCN3CCOCC3)oc12 95579192 XKPBTPVYGXOZRJ-UHFFFAOYSA-N 383.452 2.511 0 1 GFAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ncc[nH]c-2n1 586946615 SAIUONROHJIDQZ-UHFFFAOYSA-N 377.476 2.573 0 1 GFAF CC[C@@]1(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)CC(=O)c2ccccc2C1 587962333 XPESGICCMYNRAM-FQEVSTJZSA-N 383.473 2.978 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)ncc2[nH]1 587232288 VWEANTVFWBZOCU-GHMZBOCLSA-N 381.274 2.757 0 1 GFAF CN[C@@H]1CSCON2CCc3c([nH]c4ccc(O)c(Br)c34)[C@H]12 85758678 KXCXRECQMGYZIE-BMIGLBTASA-N 384.299 2.759 0 1 GFAF Cc1sc2c(c1C)CCN[C@]2(C)Cn1c2c(c(=O)n3ncnc13)CCCC2 963032647 UQLNBGVIVHHKIG-HXUWFJFHSA-N 383.521 2.509 0 1 GFAF COc1ccc(CN(CC(=O)NC(C)C)C(=O)CN2C=CC(=CN=O)C=C2)cc1 1772590472 KDWCUQNJSKXKRP-UHFFFAOYSA-N 398.463 2.542 0 1 GFAF OC[C@@H](O)CN1CC=C(c2[nH]c3nccc4c3c2COc2ccc(F)cc2-4)CC1 1772581793 QDXBUYHGMFTIMD-HNNXBMFYSA-N 395.434 2.704 0 1 GFAF CN1N=C(C(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CCC1=O 11841060 ZZHBNZUAQCIMLS-CYBMUJFWSA-N 395.381 2.735 0 3 GFAF O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccc(Cl)cc1Cl 13482708 WGFHSIVDHDSQFC-HRBUUUBSSA-N 377.227 2.691 0 1 GFAF COc1cc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2c(OC)c1OC 169329736 KEOYWEYUOSIXFN-UHFFFAOYSA-N 387.484 2.819 0 1 GFAF Cn1cnnc1[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 202521614 RZYPBXJBDXIHQD-MRXNPFEDSA-N 376.869 2.731 0 1 GFAF CN1CCN(c2ccnc(NCCNc3ccnc4cc(Cl)ccc34)n2)CC1 204938331 WRICWFDSLJSTED-UHFFFAOYSA-N 397.914 2.954 0 1 GFAF COC(=O)[C@@H]1CCC(=O)N1[C@H](c1ccccc1)c1cc(OC)c(OC)c(OC)c1 1645068 UWZLSLHQRNSPOI-OXJNMPFZSA-N 399.443 2.966 0 1 GFAF COc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 6892773 JGQRLPQHULBOOF-NSHDSACASA-N 378.475 2.606 0 3 GFAF COc1ccccc1[C@H](OCCN1CCN(CCC(=O)O)CC1)c1ccccc1 29326465 RFBAKEBPKRUCSW-HSZRJFAPSA-N 398.503 2.894 0 1 GFAF CCN(CC)C(=O)[C@@H]1CCC[C@H](NCc2ccc(F)cc2)CN(C)C(=O)C1 2356299498 IYDKKCKJNGEEII-MJGOQNOKSA-N 377.504 2.801 0 1 GFAF CCN1CCN([C@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccccc2)CC1 22585469 RHSZNJXCMDXTCO-LPHOPBHVSA-N 393.578 2.794 0 3 GFAF CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@H](c4ccncc4)C3)c(F)c2)C(=O)O1 26830652 SQLSNPSKTDCXPN-KXBFYZLASA-N 398.394 2.548 0 1 GFAF O=S(=O)(NCCNCc1ccccc1Cl)c1cccc2cnccc12 27555290 YDZCOPPCLMZHQN-UHFFFAOYSA-N 375.881 2.956 0 1 GFAF CN=c1[nH]c2c(C)ccc3nc(N(C)C)nc-3c2n1CC=CCCCC(=O)O 2356469479 PMDGXSAZAHEGNW-UHFFFAOYSA-N 382.468 2.580 0 1 GFAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCNC[C@H]1COc1cccnc1 114581002 CJUCETZNRGTSKC-HNNXBMFYSA-N 380.370 2.985 0 1 GFAF CCOc1cc2c(cc1O)CCN1C=c3cc(OCC)c(OCC)cc3=C[C@H]21 2356840401 MQJNLEMMIFOGBV-LJQANCHMSA-N 381.472 2.720 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43CO)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 5530071 CDMVQQAHEQVSMF-GXJCMCCISA-N 390.520 2.577 0 1 GFAF biogenic CCCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1 33613943 CSTHWOKSJUJRPW-IBGZPJMESA-N 391.489 2.928 0 1 GFAF COc1cc(OC)c(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O 15271485 OBCOSISSVOSFPJ-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OC[C@@H]1CCCN1C 82084050 QVEFLDLZJJDWRK-ZFWWWQNUSA-N 388.493 2.642 0 1 GFAF Cc1cccc(C)c1-c1ccc2nc(NCCN3CCN(C)CC3)nnc2c1 96167690 FZGOXVXNXVSKSX-UHFFFAOYSA-N 376.508 2.968 0 1 GFAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 245257964 JANSESFGIKWRTR-DVOMOZLQSA-N 387.505 2.929 0 3 GFAF CC[C@H](C(=O)OC)c1cc(=O)n2c(c1C(=O)OC)[C@@H]1Cc3ccccc3C[C@H]1C2 253952124 XYBNRRYKRHDDET-YESZJQIVSA-N 395.455 2.814 0 1 GFAF O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@H]([C@H]53)N2Cc1ccc(I)cc1 261134112 LTAWJWNPMAZAIW-GBGAKDAYSA-N 391.252 2.552 0 1 GFAF CN[C@H](C[S@](C)=O)c1nccc2c1[nH]c1ccc(O)c(Br)c12 72107579 DTUWGVFAFSMFHN-ZQJOYCHOSA-N 382.283 2.823 0 1 GFAF biogenic CCCCc1nc(Cl)c(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)n1C 473131326 OQPYDZNVUVZGEN-AWEZNQCLSA-N 393.871 2.636 0 1 GFAF CC1=C(C(N)=O)[C@@H](c2ccc(N)cc2)N2NC(SCc3ccccc3)=NC2=N1 473133979 ACUWWLIHJBIYTC-QGZVFWFLSA-N 392.488 2.548 0 1 GFAF Cc1ccnc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 587000943 AYTUTLSRRBQXBW-UHFFFAOYSA-N 387.237 2.997 0 1 GFAF O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(OC(F)(F)F)cc1 587368006 FSVXPWRNQDQEAW-UHFFFAOYSA-N 380.282 2.516 0 1 GFAF COC(=O)CCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587755898 BKPNBLUYCBBYOQ-BTDLBPIBSA-N 396.260 2.971 0 1 GFAF CN(Cc1nc2cc(Br)cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170044 MTLBJGZKXMKXBK-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(F)c(C)c3[nH]2)c1 587230946 KDFPJEFQWZCVPH-UHFFFAOYSA-N 398.438 2.958 0 1 GFAF O=C1CCc2ccc(OCCCCN3CCN(c4ccccn4)CC3)cc2N1 1772577138 UNMHAMCGLXBCKS-UHFFFAOYSA-N 380.492 2.948 0 1 GFAF Cn1cc2c(nc(NC(=O)NC3CCCCC3)n3nc(-c4ccco4)nc23)n1 13607037 AZAIJUINKCJJMQ-UHFFFAOYSA-N 380.412 2.725 0 1 GFAF O=C(Nc1nc(O)c2c(ncn2CCNCc2ccccc2)n1)c1ccccc1 17198080 IIQTZMKGSDJRQJ-UHFFFAOYSA-N 388.431 2.574 0 1 GFAF O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@H]([C@H]6[C@H]51)N2Cc1ccc(I)cc1 169295917 LTAWJWNPMAZAIW-CKZKSATBSA-N 391.252 2.552 0 1 GFAF COc1ccc2c(c1)S(=O)(=O)CC[C@H]2NCCOc1cc(F)ccc1F 1857537688 IQZURNHRQIKEQG-MRXNPFEDSA-N 383.416 2.861 0 1 GFAF Cc1cccc(-n2cc(Cn3cnc4c(cnn4-c4ccccc4)c3=O)nn2)c1C 1857649111 JEQNUYVOCSVIQV-UHFFFAOYSA-N 397.442 2.828 0 1 GFAF CCO[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)c1cc(OC)c(O)c(OC)c1 2356474695 BSQYVZGVZUMJNE-VBKZILBWSA-N 378.421 2.977 0 1 GFAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4295928 QYZZSINNHNEXJF-ZRCAFCQKSA-N 398.459 2.683 0 1 GFAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1nnco1 26575059 YCEDBQCUBGEPPW-KGLIPLIRSA-N 396.488 2.782 0 1 GFAF Cn1cc(-c2cnn3c(NCc4cccnc4)cc([C@@H]4CCCNC4)nc23)cn1 66104483 PYMKGEWOFSUSQA-MRXNPFEDSA-N 388.479 2.604 0 1 GFAF COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCO2 2356503429 HQEGIQVTYMEHPQ-NHCUHLMSSA-N 386.536 2.904 0 1 GFAF C[C@]12CC[C@H](OS(=O)(=O)O)CC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 2356527200 YMVDNUQMQPOREU-VKYUDHICSA-N 384.494 2.677 0 1 GFAF CO[C@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)C[C@H](O)C(C)(C)O2 2356846472 OOGJVXKOBYYOLN-UGKGYDQZSA-N 396.439 2.992 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1c[nH]c2ccccc12 45317641 KCIQFODCVFUSHP-UHFFFAOYSA-N 395.846 2.989 0 1 GFAF Cc1nccnc1-c1csc(NCCCCCNS(=O)(=O)C(C)C)n1 73139433 PGVQVWMBWPXGHL-UHFFFAOYSA-N 383.543 2.819 0 1 GFAF O=C(/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1)NCC[C@H]1CCCNC1 84689529 GKDGNKRGOJPYMM-OAHLLOKOSA-N 391.475 2.727 0 1 GFAF CCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 49014427 SSAAVJNPBPEEBI-UHFFFAOYSA-N 390.509 2.909 0 1 GFAF Cc1cc(=O)oc2ccc(OC[C@H](O)CN3CCN(c4ccccc4)CC3)cc12 40915862 PRAZRRNYXLNYFD-LJQANCHMSA-N 394.471 2.663 0 1 GFAF O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccccn2)nc1 142254081 PHMFFBVIQSRMJR-UHFFFAOYSA-N 380.404 2.619 0 1 GFAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc4ccccc4c3)cn12 96269919 JKFQIDJSSIINNY-KRWDZBQOSA-N 386.459 2.812 0 1 GFAF COc1cc(-c2nc3cnc(Cl)[nH]c-3n2)ccc1OCC(=O)NC(C)C 587226241 VYPGBOAJKOQRMQ-UHFFFAOYSA-N 375.816 2.537 0 1 GFAF CC(C)(C)Oc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(N)cc1F 587136191 LCSFEPIWSOIELL-UHFFFAOYSA-N 378.429 2.776 0 1 GFAF COC(=O)c1nn(-c2ccccc2)cc1[C@H]1NCCc2c1c(C(C)C)nn2C 962907870 JLFXMVRWLLJZSL-LJQANCHMSA-N 379.464 2.751 0 1 GFAF CCCc1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)on1 11662462 DZOBMVYFIAKYFY-INIZCTEOSA-N 387.455 2.864 0 3 GFAF CCC/C=C1/CCCO[C@@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C1 13828995 VURQGIYUOMSKTB-FLUNIGMLSA-N 378.435 2.663 0 3 GFAF COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@@H]2c2ccc(O)c(OC)c2)cc1 169687899 JUVFMQWJTXLNII-RTBURBONSA-N 398.415 2.994 0 1 GFAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C[C@@H]2OC(=O)[C@]4(C)C(=O)CC[C@]3(C)[C@H]24)CO1 2356442689 MMALGGPAFYVCCV-MTJKRCJASA-N 378.465 2.624 0 1 GFAF CC1(C)CC[C@@H](O)[C@]1(C)c1ccc(C(=O)OCC[C@](C)(O)CC(=O)O)cc1 2356386732 UYLYUHNDNNVOPJ-CZAAIQMYSA-N 378.465 2.898 0 1 GFAF COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(C)=O)cc2c1 8578874 OPNBMUCEHUJUJJ-UHFFFAOYSA-N 380.400 2.814 0 3 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H]1CCCCC1=O 29333203 QIIYAJZQOKYUDR-QGZVFWFLSA-N 381.904 2.884 0 1 GFAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccccc2)O1 28974198 HGRLIODMXYZECK-ASHKIFAZSA-N 389.352 2.754 0 1 GFAF COc1cc(C[C@H]2COC(=O)[C@H]2Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646799 GBQHDHMFTXPYAM-GJZGRUSLSA-N 384.384 2.727 0 1 GFAF biogenic O=C(NCC1CCN(C(=O)C(=O)c2cccs2)CC1)c1ccc2c(c1)CCO2 199720847 KKQJANUARYVZQK-UHFFFAOYSA-N 398.484 2.534 0 3 GFAF Nc1nccc(-c2cc3c([nH]2)[C@H](CCCOCc2ccccc2)CNC3=O)n1 40973222 JCIGSRTZMOSPLT-OAHLLOKOSA-N 377.448 2.878 0 1 GFAF c1cn(C[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cn1 199424142 IWXSMKCGCBIGOG-KRWDZBQOSA-N 378.480 2.580 0 1 GFAF CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccc2c(c1)OCO2 199207795 DDSBUKUXUDNXQT-NRFANRHFSA-N 396.443 2.794 0 3 GFAF CC(C)C[C@H](CNC(=O)CCCCN)Cc1ccc2c(c1C(=O)O)OCO2 95921000 PPUJEZUKUJTCNK-AWEZNQCLSA-N 378.469 2.564 0 1 GFAF in-vitro O=C(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CCCC1 95895250 NQZSYQKSNDKNBI-BDTNDASRSA-N 379.504 2.717 0 1 GFAF CCCCCOc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O 378155747 YLLZNPCFIPHFGL-UHFFFAOYSA-N 399.212 2.904 0 1 GFAF O=C(O)C[C@H](O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586892744 VRJXIRNTARURJH-RXMQYKEDSA-N 383.120 2.602 0 1 GFAF Cc1c(Br)ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 587202409 DNJUOSZSBOUVCB-GFCCVEGCSA-N 381.274 2.713 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C(O)O 587570071 KAEJFOANUOLKHY-DYESRHJHSA-N 382.343 2.699 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(=N)[nH]cc32)N1 587742512 AIHAUROLCQRLNA-VVVCHXIZSA-N 377.261 2.905 0 1 GFAF O=S(=O)(O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587042366 SSNBJEQJYSSPMW-HZPDHXFCSA-N 375.475 2.756 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@@H]([C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)c3cccc1c32 963035191 WNFBQZIKTCEXSR-XIQRHARVSA-N 383.492 2.894 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CCC[C@@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962693248 BBVZROAKEFWXFG-WQOYLIAZSA-N 390.524 2.857 0 1 GFAF COc1cc2c(cc1OC)[C@@H](c1nc(Br)cnc1N)N(C)[C@H](C)C2 962620005 ICODQGWXEDMQOM-ABKXIKBNSA-N 393.285 2.804 0 1 GFAF CN1CCN(c2ccccc2[C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)CC1 963038752 ZVBGSRPAAISTMJ-HJPURHCSSA-N 376.504 2.581 0 1 GFAF O=C(c1ccc(F)cc1)C1CCN(CCCn2nc3n(c2=O)CCCC3)CC1 13447955 XZAKYOBYYCYBGT-UHFFFAOYSA-N 386.471 2.505 0 1 GFAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]12C[C@@H]1[C@@H](N=O)c1ccccc1O2 169716582 MZNKZHJGVLNPEC-KALAIVBUSA-N 380.400 2.546 0 1 GFAF CN(C[C@H]1CCCO1)C(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166674354 FOWBOHCRDNWWAF-LJQANCHMSA-N 380.448 2.880 0 1 GFAF CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1 203474599 YSKONOFYNHKMTH-OAHLLOKOSA-N 389.521 2.745 0 3 GFAF N[C@@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC[C@@H]1F 205253995 XWSXADANHDIBHB-JKSUJKDBSA-N 389.438 2.957 0 1 GFAF NCc1cc(Oc2cccc(C(=O)NC3(CO)CC3)c2)nc(C(F)(F)F)c1 1857552321 FJPUKTJEFOXMJX-UHFFFAOYSA-N 381.354 2.606 0 1 GFAF O=C(CN1CCOCC1)Nc1ccc(OC2CCN(C3CCCC3)CC2)cc1 149142070 LCLQISVNAQIDFL-UHFFFAOYSA-N 387.524 2.743 0 1 GFAF Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)no1 1324999 AELRCXOMYCFJEB-UHFFFAOYSA-N 383.429 2.987 0 3 GFAF NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 2921260 GBPAWBQURQGZCG-UHFFFAOYSA-N 395.440 2.839 0 1 GFAF COc1ccc(N2CCN(C(=O)Nc3nc4ccc(F)cc4s3)CC2)nn1 28456538 DLLYTLZCTKDSBS-UHFFFAOYSA-N 388.428 2.588 0 1 GFAF O=C1CCCN1CCOc1cnc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 116909673 NDBOAALHAWZWJJ-GOSISDBHSA-N 378.350 2.861 0 1 GFAF Cn1c(=O)[nH]c(N2CCC(Oc3ccccc3)CC2)c(Cc2ccccc2)c1=O 28707962 LXPOIWUPJUJVAC-UHFFFAOYSA-N 391.471 2.712 0 1 GFAF CC1=C2C[C@H](O)[C@@H]3[C@H](C)C(=CC(=O)OCCN(C)C)CC[C@@H]3[C@]2(C)CC[C@@H]1O 2356583799 IACCOBWNMQUOBF-RVZDZUSISA-N 391.552 2.922 0 1 GFAF Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3cccnc3)c(=O)n(C)n2)n1 218776101 UFWTWSLIGBPFQG-SJORKVTESA-N 377.448 2.673 0 1 GFAF C[C@@H]1NC(c2ccc(=O)[nH]c2F)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 71295548 HKELXNVSSSCOKM-YBTHPKLGSA-N 384.361 2.869 0 1 GFAF CC[C@@H](C)c1nc2nc(N3CCC[C@H](C(=O)N(CC)CC)C3)ccc2[nH]c1=O 82231550 QLKRJSKQNKYLEQ-CABCVRRESA-N 385.512 2.916 0 1 GFAF CCCNC(=O)N1[C@H](CNC(=O)c2cccc(F)c2)[C@H](c2ccccc2)[C@@H]1CO 95894819 ZJXUDCKKEIQJBB-AABGKKOBSA-N 399.466 2.504 0 1 GFAF COC(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587163490 JYNSPZCHDUKUIG-UHFFFAOYSA-N 380.379 2.767 0 1 GFAF O=C(Cc1ccccc1)NCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587227952 BVUQQTQKVCKBIT-UHFFFAOYSA-N 383.761 2.878 0 1 GFAF N=c1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c[nH]1 587064972 XNTULZORSNSLOB-UHFFFAOYSA-N 381.823 2.932 0 1 GFAF COC(=O)C(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587803672 BFJLJYOSOXGWOM-XLFHBGCDSA-N 384.245 2.860 0 1 GFAF COC(=O)c1cccc2c1NC(=O)[C@@]21c2c(ccc(OC)c2OC)C[C@H](C)N1C 962616722 AMIDHEHEAVJART-YTEVENLXSA-N 396.443 2.563 0 1 GFAF CCOC(=O)[C@@]1(c2cnc3ccccn23)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963639489 VIBQFQPCBGYLNZ-FPTDNZKUSA-N 395.459 2.692 0 1 GFAF CCn1cc([C@@]2(CC(=O)C(=O)OC)c3c(F)cccc3C[C@H]3CCCN32)c(C)n1 963100752 JDAPZJQRZJARDJ-ZHRRBRCNSA-N 399.466 2.747 0 1 GFAF O=C(COc1ccccc1)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1 5259324 SOQPSOHJJHVOMC-UHFFFAOYSA-N 390.443 2.998 0 3 GFAF CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2C(=O)O)c1 13303284 SIJFCWBLZOYWFL-UHFFFAOYSA-N 394.424 2.807 0 1 GFAF COC(=O)c1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1 13677004 TUURETRBVAYEEX-UHFFFAOYSA-N 395.411 2.995 0 1 GFAF O=C(NCc1c(Cl)cc(Cl)cc1COCCO)[C@@H]1COc2ncccc21 205627014 XOMZGLXVHMQEEG-OAHLLOKOSA-N 397.258 2.690 0 1 GFAF CN1CCc2ccc(N3C(=O)CS[C@@]34C(=O)Nc3ccccc34)cc2CC1 207040648 ZVZZZABVFDLSKE-NRFANRHFSA-N 379.485 2.602 0 1 GFAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1c[nH]c2ccccc12 4163288 HIFDOUATSGPYEI-LJQANCHMSA-N 389.411 2.732 0 3 GFAF O=C(NCCN(Cc1ccco1)C1CCCC1)c1nc(-c2cccnc2)no1 9405789 MFYDHWVTTSJHSH-UHFFFAOYSA-N 381.436 2.899 0 1 GFAF COc1cc(N2C(=O)[C@@H](OC)[C@@H]2c2ccc3c(c2)OCO3)cc(OC)c1OC 26176976 ASJCRGVHHQDGLN-HKUYNNGSSA-N 387.388 2.544 0 1 GFAF C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)CCC1CCCC1 61903877 JPMSMRDFJSQGGC-LJQANCHMSA-N 396.484 2.592 0 3 GFAF CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 27213375 QNWHSHHVNKXPPF-UHFFFAOYSA-N 399.881 2.530 0 1 GFAF O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccc(F)cc1Cl 26966516 KAPPJOWDTJANRE-UHFFFAOYSA-N 399.809 2.778 0 1 GFAF COC(=O)C=Cc1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356563450 DPDJZJNYBSGDHT-QRWLVFNGSA-N 386.400 2.805 0 1 GFAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(F)c1OC 27759156 QRHBABKIRCVUFX-VIFPVBQESA-N 375.238 2.517 0 1 GFAF O=C(O)Cc1cccc(Nc2nc(-c3ccccc3)nc3c2CS(=O)(=O)C3)c1 96923880 KBGQHSSMWQBTKL-UHFFFAOYSA-N 395.440 2.943 0 1 GFAF O=C1CN=C(n2cnc([C@H](O)C3CC3)c2)C=C2c3cccc(C4CC4)c3CCN12 149065855 OZWURFQKHYKJNH-HSZRJFAPSA-N 388.471 2.890 0 1 GFAF C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@]2(C)C[C@]1(C)[C@]4(CO)C(=O)OC 238743184 SWXWVRQIVSZLGF-AAYVBTGFSA-N 380.488 2.997 0 1 GFAF C[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1 95557535 NZANNALXDKRTAW-JTQLQIEISA-N 399.394 2.908 0 1 GFAF OC[C@H]1[C@H](c2ccccc2)C2(CN(Cc3ccncc3)C2)N1Cc1ccncc1 95794029 LPISZNCRBUPYKQ-GOTSBHOMSA-N 386.499 2.692 0 1 GFAF O=C1N[C@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccccc1 95898436 YTMMXCOCLAUKDR-NHCUHLMSSA-N 390.487 2.785 0 1 GFAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@@H]3[C@H]5[C@@H]4[C@H]31)N2Cc1cccc(I)c1 261083116 CAYMCWKKHULDBH-RDZGJIMISA-N 391.252 2.552 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2S(C)(=O)=O)N1 587851302 VNAAWVVZRYRZRJ-NKZPBKNFSA-N 376.291 2.915 0 1 GFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 586930554 LSDSGQGZTCJYGY-QGZVFWFLSA-N 387.465 2.984 0 1 GFAF COCCS(=O)(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587450058 RJAGAHIQAHZWDN-UZLBHIALSA-N 388.441 2.604 0 1 GFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O 587651034 ZSJVTQSHWPNYHS-AWEZNQCLSA-N 382.438 2.530 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnnn1-c1ccccc1 587869116 BXJYHZUCHDTUGB-UHFFFAOYSA-N 387.325 2.937 0 1 GFAF CC[C@@H](C(=O)OC)[C@@]1(C)NCC2(CCOCC2)c2ccc(OC)c(OC)c21 963191345 OHDWKEIDMPFQQU-VBKZILBWSA-N 377.481 2.770 0 1 GFAF C=CC(=O)N1CCC[C@@H]1Cn1cc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21 1772648358 LQLUQOSARLEKRJ-CQSZACIVSA-N 391.431 2.586 0 1 GFAF CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nccs1 11610949 UASQOJZIOWNZJK-IBGZPJMESA-N 384.461 2.717 0 1 GFAF biogenic CN(C)C(=O)COc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1 1857577369 MQXONQXQRRXGAS-UHFFFAOYSA-N 390.443 2.564 0 1 GFAF Cc1cc(-c2ccnn2C)cnc1C(=O)N[C@@H]1CNCC[C@H]1c1cccc(F)c1 1857595325 LSINHZPHPIZQPR-RBUKOAKNSA-N 393.466 2.805 0 1 GFAF Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccc(N(C)C)cc2)CC1 4858561 RMIHATSFGODABR-UHFFFAOYSA-N 394.519 2.894 0 3 GFAF CC[C@H](C(=O)NC(C)C)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O 6944726 UTYJNNCGAPUTQX-QGZVFWFLSA-N 381.480 2.983 0 1 GFAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1[C@H]1C[C@@H](O)[C@H](O)[C@H](C)O1 59729943 URTJMLCOGKHVDK-VNNCDLJGSA-N 398.411 2.746 0 1 GFAF CCN1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccccc2)CC1 22585466 RHSZNJXCMDXTCO-QFBILLFUSA-N 393.578 2.794 0 3 GFAF CC[C@@H]1CN2CC[C@]3(Nc4ccccc4C3=O)[C@H]2C[C@H]1C(=COC)C(=O)OC 2356507284 ZGFZEUQTWZGDLW-YKEWJHLTSA-N 384.476 2.857 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(C=C[C@@H](O)OC)cc3[C@H]2CO)ccc1O 2356681615 ACYTYNNPYAXFFE-XPGWFJOJSA-N 388.416 2.597 0 1 GFAF C[C@H](NC(=O)C[C@@H]1[C@H](O)CC[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C)c1ccccc1 2356699331 OKOQZWLTLATVKR-LQKKGFGYSA-N 389.536 2.801 0 1 GFAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCC2)cc1F 216200895 MFEQOUROOAKVBV-UHFFFAOYSA-N 392.880 2.974 0 1 GFAF CC1(C)COCCN1c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222460106 YCTLFFABXKWHMV-UHFFFAOYSA-N 377.448 2.526 0 1 GFAF Cn1c(=O)c2cc3n(c2n(C)c1=O)C[C@H]1[C@@H]3Nc2ccc(Cl)cc2C1(C)C 40867019 XDYWGVGVBQOVME-BBRMVZONSA-N 384.867 2.766 0 1 GFAF Cc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@@H](OC(=O)NCc3ccccc3)CO[C@H]12 45318954 XMIPVPSZMVVUST-IYWMVGAKSA-N 397.427 2.613 0 1 GFAF in-vivo OCC1CCN(c2ccnnc2C2CN(c3ccc4ccccc4n3)C2)CC1 143399710 BYVLHSCVEFQYHY-UHFFFAOYSA-N 375.476 2.837 0 1 GFAF COc1ccc(-c2cc3ncccc3c(NC[C@H]3CNC(=O)C3)n2)cc1OC 141921773 QFQSBPJPHQWONT-CYBMUJFWSA-N 378.432 2.862 0 1 GFAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H](CO)N2C(C)=O 95794601 ZOUIPPRUOXASKT-IFMALSPDSA-N 378.472 2.651 0 1 GFAF CC/C=C\[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 263638856 XNUWGEPKIOWLHQ-RXAJPURESA-N 385.460 2.866 0 1 GFAF O=C(CCc1nc2cc3c(cc2[nH]1)OCO3)Nc1nnc(-c2ccncc2)s1 587023748 GZQSSTFWPZSYAM-UHFFFAOYSA-N 394.416 2.776 0 1 GFAF CCOC(=O)CCN1CCC2(CC1)c1c(ccc(OC)c1OC)C[C@@H](C)N2C 962575045 VNBQQKZFOKHRAH-MRXNPFEDSA-N 390.524 2.825 0 1 GFAF CCOC(=O)c1cnc(Nc2ccc(I)cc2)nc1O 1857603036 WESMCEZQDMBQNM-UHFFFAOYSA-N 385.161 2.707 0 1 GFAF CC1(C)Cc2c(sc(NC(=O)c3cccnc3O)c2C(N)=O)C(C)(C)O1 1772634680 QKGRDGWSCJNJTO-UHFFFAOYSA-N 375.450 2.786 0 1 GFAF CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3ccccc3)cc1)CCC2 1772642643 CYKDKXNRUUOFKM-UHFFFAOYSA-N 375.428 2.641 0 1 GFAF COc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N4CCC(OC)CC4)C3)nc2c1 11969980 KEUKALSTEVNVJT-MRXNPFEDSA-N 398.507 2.801 0 1 GFAF COCC1CCN(Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1 12316299 ZIALYUJHAXHDFO-UHFFFAOYSA-N 375.469 2.961 0 3 GFAF O=c1[nH]c(Cc2ccccc2-n2cccc2)nc2c1cnn2C1CCOCC1 169699896 QFLBFTRRZFIVLJ-UHFFFAOYSA-N 375.432 2.853 0 1 GFAF O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 1857751878 FTFRVHRVNAJZCB-FGZHOGPDSA-N 393.483 2.983 0 1 GFAF Fc1ccccc1[C@H](CN1CCN(c2cnccn2)CC1)NCc1ccccn1 205557229 LOSYUGJHQZNZBD-NRFANRHFSA-N 392.482 2.664 0 1 GFAF COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CCC(=O)O 578047 JTOSMCOFPADVGU-UHFFFAOYSA-N 396.447 2.726 0 1 GFAF O=C(NC[C@@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774891 CPAALVVHZMNOPD-LLVKDONJSA-N 378.837 2.807 0 1 GFAF C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 1543894 JNLNXPCQHIQTRM-ACJLOTCBSA-N 399.896 2.818 0 1 GFAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccsc1)C1=C(O)c3ccccc3C1=N2 103529372 NVMXVQLMCGAKCS-CYBMUJFWSA-N 377.425 2.695 0 1 GFAF CCOc1cccc(C2(N3CCN(c4ncncn4)CC3)[C@@H]3CC(C)C[C@H]32)c1 101685158 ANPFSBYUHWCSQO-RTMXWXTASA-N 379.508 2.964 0 1 GFAF O=C(O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCCCN1C2=O)N1CCN(c2ccccc2)CC1 103061457 VBQMMEXSTHWJJH-MTFMMBMASA-N 383.492 2.735 0 1 GFAF COC(=O)[C@H]1CC(=O)N(c2cccc(COc3ccc(C(C)=O)c(O)c3)c2)C1 26394972 WYBJHNRXPYLUTQ-HNNXBMFYSA-N 383.400 2.700 0 1 GFAF COc1ccccc1N1CCN(Cc2ccccc2CN2C(=O)CCC2=O)CC1 28397714 YGATWCJDWYBBLL-UHFFFAOYSA-N 393.487 2.666 0 1 GFAF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1 110754564 NUVQKNOUYVWKKD-RBUKOAKNSA-N 382.435 2.647 0 1 GFAF CNc1nc2cc(-c3cccc(C[C@@H](N)C(=O)O)c3)sc2n2c(C)cnc12 28950788 IWEXBKWHHLZUMK-CYBMUJFWSA-N 381.461 2.916 0 1 GFAF CCO[C@H](C)COC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 27559704 RMPNFWSSMYSGHF-CYBMUJFWSA-N 390.484 2.640 0 1 GFAF COC(=O)c1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 20869254 SJKCKVJGRKNUNG-NRFANRHFSA-N 386.467 2.681 0 3 GFAF NC(=O)COc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114338176 YXVDBONDQPTXQM-SFHVURJKSA-N 379.464 2.504 0 1 GFAF C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)s1)CO 27431105 NXHPCPQJABQEDR-IZYAJXRASA-N 393.505 2.905 0 1 GFAF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 64548960 VYGJNGJRTPHPPA-GOSISDBHSA-N 392.532 2.873 0 1 GFAF CC(C)[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N21 26960777 BMEMIDCWPDBZLO-JENIJYKNSA-N 383.492 2.932 0 1 GFAF CSCCc1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O 82232184 HRDHSDYQBRRYRM-UHFFFAOYSA-N 399.495 2.689 0 1 GFAF CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3cncn3)c2)ncn1 143806321 PSOBBPNUROQZMW-UHFFFAOYSA-N 391.479 2.995 0 1 GFAF COc1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cncnc3)ccc2=O)cc1 25435332 QQBSMZIGSWFZSL-MSOLQXFVSA-N 388.471 2.933 0 1 GFAF biogenic C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CC1CCCCC1 95570478 QLOJYVFZQPKURH-OAQYLSRUSA-N 397.479 2.851 0 3 GFAF CCOC(=O)CC[C@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 96019060 QHAIRSSUJMWISF-LPHOPBHVSA-N 381.494 2.732 0 3 GFAF NCc1cccc(C[C@H](C[P@](=O)(O)[C@H](N)CCc2ccccc2)C(=O)O)c1 299837276 OGZYJUYHRXGJNP-MOPGFXCFSA-N 390.420 2.577 0 1 GFAF CC(=O)Oc1ccccc1[C@@H]1CC(C)=NN1C(=O)CN1CCC(C(C)=O)CC1 653735486 ROKFADGFFFPUEW-IBGZPJMESA-N 385.464 2.562 0 1 GFAF COc1ccc(OC)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1OC 587926963 MJBSWQCXRUJILZ-UHFFFAOYSA-N 391.449 2.506 0 1 GFAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(CO)cc2[nH]1 587181814 DZQOXBXPESJRKF-SECBINFHSA-N 382.205 2.774 0 1 GFAF COC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587441264 SCHMGTUWMAHPLJ-SZNDQCEHSA-N 384.384 2.744 0 1 GFAF CCOC(=O)CC[C@]1([C@@H](C)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599688 YUUMJMGONLYQDV-LZHZSBQWSA-N 386.400 2.817 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)C1=NCCS1 963146360 NAMGPTATPKUPSO-MGPLVRAMSA-N 383.495 2.750 0 1 GFAF COc1cc2c(cc1OC)[C@](C(=O)O)(C(C)C)N(C(=O)c1ccccc1N)CC2 963149185 SQKGEVIRSLLJFI-QFIPXVFZSA-N 398.459 2.920 0 1 GFAF CCC(=O)OC1=C(C)OC=C[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963225269 CZDSTOPQRBNIKR-LAUBAEHRSA-N 380.400 2.758 0 1 GFAF C[C@H](CO)c1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)n1 1772629642 FTHMDHAGWFGKJX-CYBMUJFWSA-N 380.423 2.891 0 1 GFAF Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)nc1 1772630357 UHIROTGGZUANPT-PBHICJAKSA-N 395.438 2.812 0 1 GFAF O=C(O)CCNC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 13737341 JUUGRNXBMBREMY-RTBURBONSA-N 383.444 2.770 0 1 GFAF COCCN(CCOC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13794971 ZFLKEJBXJHZJSM-UHFFFAOYSA-N 384.484 2.543 0 1 GFAF COC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169355867 XWKQYSFFCKQMDI-QLDGJZPUSA-N 396.418 2.516 0 1 GFAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCOCC2)cn1 207596392 DVEMCJONIRIHRK-MRXNPFEDSA-N 395.290 2.895 0 1 GFAF CCOC(=O)C1=C(CN)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 1857763737 WUQYJLJHMJZDMP-AWEZNQCLSA-N 394.859 2.803 0 1 GFAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4053191 WXORIUAHAIUONU-WSTZPKSXSA-N 377.444 2.563 0 1 GFAF NC(=O)c1nnn(Cc2ccc(Cl)c(C(=O)c3ccc(Cl)cc3)c2)c1N 26717483 LIWPVDORTWEYSC-UHFFFAOYSA-N 390.230 2.545 0 1 GFAF CC[C@H](C)[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O 36330569 DPOYFOOAZSRFCW-LVQBNPGGSA-N 393.528 2.650 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1CCCOC1 222377084 QCWLXJUMRLWMRQ-ZDUSSCGKSA-N 377.448 2.810 0 1 GFAF O=C(O)CC[C@@H]1COc2ccc(/C=C3\c4ccccc4C[C@H]3O)c(C(=O)O)c2O1 95920887 XIXYPFWIBKASTA-CKJSUDJYSA-N 396.395 2.847 0 1 GFAF in-vitro CC(C)(C)OC(=O)N[C@]1(c2nc3cc(=N)[nH]cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240520 VEJHBMBFZCJAQN-SZELWCTASA-N 387.484 2.925 0 1 GFAF Nc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1N 586945986 PCIHPPGJEGHWIG-UHFFFAOYSA-N 389.462 2.527 0 1 GFAF CCC(=O)Nc1ccccc1[C@@]1(C(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433832 XILLZSUGZGQLBI-SPLOXXLWSA-N 381.384 2.771 0 1 GFAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cnnc(O)c2[nH]1 587168567 ZURDXZKOTDLDCZ-UHFFFAOYSA-N 391.409 2.727 0 1 GFAF COc1cc2c(cc1OC)[C@H](c1nc(Br)cnc1N)N(C)[C@H](C)C2 962620009 ICODQGWXEDMQOM-JDNHERCYSA-N 393.285 2.804 0 1 GFAF O=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 14960199 WNCZLGRPMPPSMH-LJQANCHMSA-N 380.427 2.577 0 3 GFAF COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 15257515 XYWRZQQANNOTTD-SVFBPWRDSA-N 385.416 2.724 0 1 GFAF endogenous,in-man O=C(O)c1c(=O)c2cc(F)c(N3CCSCC3)c3c2n2c(csc12)CO3 150580230 BOCAIBKPLUGRGO-UHFFFAOYSA-N 392.433 2.797 0 1 GFAF O=C(NC1CCCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 169303433 KUIQSZQSMKEKNG-OAQYLSRUSA-N 379.460 2.993 0 3 GFAF COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1[C@]21N=C(N)N(C)C1=O 204039010 XZUCFAOSPGFWFO-UVOAEELBSA-N 383.492 2.589 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1CC2=CC[C@@H]1[C@](C)(CO)[C@@H](O)CC[C@]13C 2356367140 WXHHJRNXCOMIHI-NGEYSQDSSA-N 378.509 2.577 0 1 GFAF NC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 2492369 UWQHSADDLWGYEG-SFHVURJKSA-N 385.508 2.914 0 1 GFAF O=C(NCCc1nnc2ccc(NCc3ccc(F)cc3)nn12)c1ccccc1 4358572 UACNYTBMQARPGT-UHFFFAOYSA-N 390.422 2.848 0 3 GFAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1cccnc1 2356407215 SMIWJKGOKVPEJR-TUNNFDKTSA-N 379.460 2.977 0 1 GFAF CS(=O)(=O)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 8582778 RLRUZBUXODVURW-UHFFFAOYSA-N 395.550 2.958 0 3 GFAF NC1=N[C@@](c2cccc(NC(=O)c3ccc(Cl)cn3)c2)(C(F)F)COC1 113659025 HCATWODWZYGFTA-KRWDZBQOSA-N 380.782 2.835 0 1 GFAF COc1c2c(nc3occc13)[C@@](C=CC(C)(C)O)(OC)[C@@H](OC(C)=O)CC2 2356549645 COPSXBJZFMKKPE-YWZLYKJASA-N 375.421 2.883 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C(=O)[C@H](O)[C@H](C)[C@]23CC[C@@]2(C=COC2)O3)C1(C)C 2356590237 HOIUWXWVVKJHSD-MEJRESHBSA-N 392.492 2.772 0 1 GFAF COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3O)oc2c1OC 15271551 ZLVYZZHAVCWFQM-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic CCCCOCCCNC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1 82085659 DEVHCVILBFDTCM-UHFFFAOYSA-N 379.482 2.798 0 1 GFAF COc1cccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](C)CN3)c1 82211026 IDVXEGCETNVNNN-ZDUSSCGKSA-N 398.488 2.727 0 1 GFAF CC[C@@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82228003 HNZCBZKDUQEOEI-LLVKDONJSA-N 397.262 2.528 0 1 GFAF O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 89456536 UPQYKOZVWOTVBP-IBGZPJMESA-N 392.436 2.918 0 1 GFAF C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(N)=O 82070717 FYVJHZKZPMTYTA-LURJTMIESA-N 395.259 2.983 0 1 GFAF O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 95797763 QEUOCIWDWFWTQF-TUNNFDKTSA-N 380.488 2.552 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)c2ccncc2)cc1 95895010 UEFOLBWVTVSDRS-DMQUSVMOSA-N 393.487 2.610 0 1 GFAF COCc1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1 149262853 KHTQVNOASPZXBZ-UHFFFAOYSA-N 380.423 2.732 0 1 GFAF COc1ccccc1/C=C1\CNCC2=C1NC(=O)N[C@H]2c1ccccc1OC 96270599 DXATVGLTSADZAU-GLHYLFFDSA-N 377.444 2.999 0 1 GFAF CC(=O)N(CCO)CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144825145 XOBRNMREZCHXCG-LJQANCHMSA-N 395.377 2.685 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCN(CCO)CC3)cc1)O2 587398364 FMCKMKWRJYSYFT-HSZRJFAPSA-N 395.503 2.572 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)o1 586930255 BEPOXGOLAVAENP-UHFFFAOYSA-N 388.218 2.975 0 1 GFAF C[C@H](Cn1cncn1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923600 ABSXHIGMZVWQJO-GFCCVEGCSA-N 377.495 2.601 0 1 GFAF Nc1ccnc2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c12 586944494 TVDAHVJOYKPWLE-UHFFFAOYSA-N 399.501 2.790 0 1 GFAF C=C(C(=O)O)c1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O 587942349 WBEPXFXPURIMAP-UHFFFAOYSA-N 376.166 2.692 0 1 GFAF CN1CCc2cnn(C)c2[C@@H]1c1ccc(I)c(F)c1F 963953983 FHFZYOWMZIMCHU-AWEZNQCLSA-N 389.187 2.880 0 1 GFAF COc1cccc(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3ccccc32)c1 1772579789 JYEQZSDPTOLHIJ-UHFFFAOYSA-N 399.516 2.634 0 1 GFAF [C-]#[N+]c1ccc(Oc2ccc(-c3nc(C(N)=O)cc([C@H](O)CO)n3)cc2)cc1 1772657636 NRTWRTFPDOWKKG-GOSISDBHSA-N 376.372 2.611 0 1 GFAF Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCc2ccco2)c2ccco2)cc1 2938641 HLADKWQVXVEQCN-KRWDZBQOSA-N 388.445 2.907 0 3 GFAF CCC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCCC[C@@H]3CC)ccc21 4078632 ZGBWLJGGLGXMIQ-KRWDZBQOSA-N 393.553 2.529 0 3 GFAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccc(N(C)C)cc2)CC1 2356286357 NDKUVWQXAFUQAK-XJUOHMSHSA-N 398.595 2.925 0 1 GFAF COc1ccccc1N1CCN(C/C=C\CN2C(=O)c3ccccc3C2=O)CC1 53122813 UTHGTZIOOOGGBI-SREVYHEPSA-N 391.471 2.670 0 1 GFAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C(=O)O)cc1 10450405 CYTIJUOEHJHUGQ-NSHDSACASA-N 397.836 2.702 0 1 GFAF CCCCNC(=O)[C@@H](c1ccccc1)N1C(=O)C[C@@H]1C(=O)OCc1ccccc1 28524361 ITRGJDGWDLFSCE-TZIWHRDSSA-N 394.471 2.988 0 1 GFAF O[C@](Cn1cncn1)(Cn1nc2ccccc2n1)c1ccc(Cl)cc1Cl 28894792 COFBEZYLMSPODA-QGZVFWFLSA-N 389.246 2.918 0 1 GFAF CC(=O)OC[C@]1(C)C[C@H](O)C[C@]2(C)C(CCC3=CC(=O)OC3)=C(C)C[C@H](O)[C@@H]21 14812711 HPUOCKVDJFCKTR-OAVQTBGQSA-N 392.492 2.678 0 1 GFAF biogenic COc1cc(N2CC(NC(=O)c3ccc4nc(C)c(C)n4c3)C2)c(Cl)cn1 1911580966 VYXPKLZHJRKLQL-UHFFFAOYSA-N 385.855 2.627 0 1 GFAF Nc1ncc(-c2ccc(C3(c4noc(-c5cnccc5N)n4)CCC3)cn2)cn1 96175511 POTCLRWCDMGYHH-UHFFFAOYSA-N 386.419 2.618 0 1 GFAF O=C(/C=C/c1cccn(CCCc2ccc(OC(F)(F)F)cc2)c1=O)NO 143954535 TUNJGCDXXVOXHV-JXMROGBWSA-N 382.338 2.898 0 1 GFAF Cn1c(OC[C@H]2CCN(c3ccccc3)C2)nc(-c2ccncc2F)cc1=O 146505417 VDZQOEKMFAUPBW-HNNXBMFYSA-N 380.423 2.887 0 1 GFAF COc1cc(C)ccc1S(=O)(=O)N1C[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 263590357 ULZQCARGUCWEAH-RDJZCZTQSA-N 390.436 2.566 0 3 GFAF NC(=O)c1nnc2c3ccccc3c(Oc3ccc(Br)cc3)nn12 653708433 BAYNLXJZTRJNMD-UHFFFAOYSA-N 384.193 2.931 0 1 GFAF C[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)N1CCOCC1 587661115 MRWYPVVDJXUGKA-CQSZACIVSA-N 381.407 2.564 0 1 GFAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(O)c2[nH]1 587129177 UWKVJTCLEPOPOQ-UHFFFAOYSA-N 377.326 2.692 0 1 GFAF C[C@@H](CN1CCOCC1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661591 ROSYTJRPOQEAGR-HNNXBMFYSA-N 395.434 2.811 0 1 GFAF CCOC(=O)Cc1ccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2c1 586920802 RIWQTEXBTVEEHY-UHFFFAOYSA-N 388.445 2.651 0 1 GFAF O=S(=O)(NCc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc2c(c1)OCCO2 586941072 DKIITSUOACDMOX-UHFFFAOYSA-N 399.472 2.691 0 1 GFAF COc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(I)c1 587179568 BLOZQSMLBXUWGU-UHFFFAOYSA-N 393.184 2.942 0 1 GFAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cccc(OCC(=O)N(C)C)c1 963049030 AHHUZSBWGBTNFY-QFIPXVFZSA-N 391.471 2.946 0 1 GFAF COC(=O)C1=C2CCCCN2C(=O)C[C@@]12NCCc1c(OC)ccc(Cl)c12 963268938 BKXBQOZNFNRWAM-FQEVSTJZSA-N 390.867 2.533 0 1 GFAF N=C(N)c1ccc(CNC(=O)c2cccc(Oc3cc(CN)ccn3)c2)cc1 1772606443 GVNJKYCAZJVVAI-UHFFFAOYSA-N 375.432 2.547 0 1 GFAF O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(NC(=O)N2Cc3ccncc3C2)nn1 1772583150 NNWPNRNQGOJCDZ-DZKIICNBSA-N 392.463 2.585 0 1 GFAF COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 12480217 JXIMUQWQPXZXFV-XJKSGUPXSA-N 386.448 2.739 0 3 GFAF CC[C@@H]1Cn2c(c3nc(-c4cc(C)n(C)n4)nc-3n(Cc3ccccc3)c2=O)N1 169724898 SRFGPAUEEQHCDW-OAHLLOKOSA-N 389.463 2.506 0 1 GFAF N#Cc1cccc2c1CN(C(=O)NCCCCCCNC(=O)c1cccnc1)C2 167528833 CRTWUSAZZAAUQF-UHFFFAOYSA-N 391.475 2.969 0 1 GFAF Cn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3CC(C)(C)O)ccn2)cn1 1857582137 RBNXRNXSQJWDFU-UHFFFAOYSA-N 390.447 2.855 0 1 GFAF CCOc1ccc(S(=O)(=O)CC2=NCCc3cc(OC)c(OC)cc32)cc1 5244094 MNORAVKJGFJIDO-UHFFFAOYSA-N 389.473 2.922 0 1 GFAF CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3c2OCCO3)CC1 1536110 BLSDXJBTBRNZQX-UHFFFAOYSA-N 381.904 2.935 0 1 GFAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNC1CCOCC1 2356408992 VBTFHSQADAKFMH-ZVDOUQERSA-N 390.455 2.700 0 1 GFAF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC 4295951 ANQWKEPJVMYPQU-PZJWPPBQSA-N 398.459 2.948 0 1 GFAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)N1CCCCC1 28702076 UDUANNRKCXGSDD-QGZVFWFLSA-N 386.452 2.811 0 1 GFAF COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@@]1(O)C[C@H]4N(C[C@@H](CC3)[C@@]24C)C[C@@H]1C 2356447012 JHCADBPJWZOJRG-JAQDHTRSSA-N 395.455 2.643 0 1 GFAF COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@@]1(O)C[C@H]4N(C[C@@H]1C)C[C@H](CC3)[C@@]24C 2356447013 JHCADBPJWZOJRG-MTRQWHLVSA-N 395.455 2.643 0 1 GFAF C[C@H](CCCCCCCCC[C@H](O)CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 2356513171 UXIWWNCPRZIUAB-NQKDJWEYSA-N 390.517 2.595 0 1 GFAF CC(=O)C[C@@H]1C2=C(O)[C@@H](CC[C@H](O)C[C@@H]3C=C[C@@H]4C(=O)[C@H](C)C[C@H]4[C@@H]13)OC2=O 2356687805 CCFPLORINZAHKY-BFFRKOEQSA-N 388.460 2.508 0 1 GFAF O=C(O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCCCN1C2=O)N1CCN(c2ccccc2)CC1 95570941 VBQMMEXSTHWJJH-AFYVEPGGSA-N 383.492 2.735 0 1 GFAF NS(=O)(=O)c1ccc(-c2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1 96913512 DOHMQSKSQLORCI-UHFFFAOYSA-N 375.262 2.950 0 1 GFAF CNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(OC)cc2OC)n1 96273914 WEFNPYOYKULUDL-UHFFFAOYSA-N 380.408 2.736 0 1 GFAF CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)Nc2cccc(F)c2)c1=O 25410066 BVLGEXISUZLPTM-KGLIPLIRSA-N 384.411 2.597 0 1 GFAF biogenic C[C@@H](NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1)c1ccccc1 95590332 YJQYIRCQGJDNIC-GFCCVEGCSA-N 385.445 2.803 0 1 GFAF C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)C2)C1 248009611 XFGIONNEHGAZPS-MTHXSQLBSA-N 399.601 2.616 0 3 GFAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H](O)CC(=O)O)[nH]c4c3)o2)cc1 586888576 IVQVUQAMWDIXJU-CYBMUJFWSA-N 394.387 2.667 0 1 GFAF CCS(=O)(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586968312 MOLHSJFHSGFQJN-UHFFFAOYSA-N 377.447 2.742 0 1 GFAF FC(F)(F)c1ncc2nc(-c3cnn4cc(Br)cnc34)nc-2[nH]1 587006004 DWSLMFLVAKIFFU-UHFFFAOYSA-N 384.119 2.796 0 1 GFAF COc1ccc2cccc(CCNC(=O)C3CN(C(=O)C(F)(F)F)C3)c2c1 169351170 BJIGVQRQQYZCDJ-UHFFFAOYSA-N 380.366 2.528 0 1 GFAF COc1cccc2c1S(=O)(=O)CC[C@H]2NCCOc1cc(F)ccc1F 1857538736 UPXFZUFQLHYOEM-OAHLLOKOSA-N 383.416 2.861 0 1 GFAF C=[S@](O)(=NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(C)cc1 1857611649 LPIWNCIFLFUGPL-RUZDIDTESA-N 392.502 2.894 0 1 GFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@H]2[C@H]1C 2356313700 TUHNQKHRJJVJBN-BDEDEIAUSA-N 390.524 2.860 0 1 GFAF O=C(NCc1ccncc1)c1cccc(Nc2nc3ccccc3n3nnnc23)c1 6791082 HFXLBANJIYNDNO-UHFFFAOYSA-N 396.414 2.741 0 1 GFAF Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCC(F)CC4)ccc23)cn1 221620202 WBMXFMYKWFFZMK-UHFFFAOYSA-N 385.418 2.807 0 1 GFAF CC(C)(C)Cc1nc2cc(S(=O)(=O)C3(C(N)=O)CC3)ccc2n1CC1CC1 43170628 PLZBVENLOXXNIQ-UHFFFAOYSA-N 389.521 2.827 0 1 GFAF COCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccc(OC)cc3)ccc1N(C)[C@H]2CO 95878050 DEYMDVYMBMQRFX-RZFNWQHOSA-N 396.487 2.709 0 1 GFAF COC(=O)c1[nH]c2ccccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1N 653715511 WQBMSIOATLCPRT-UHFFFAOYSA-N 384.388 2.794 0 1 GFAF O=C(O)CCN(CCc1nc2cc3c(cc2[nH]1)OCCO3)Cc1ccccc1 587193866 UMLLNTWQIRGHLA-UHFFFAOYSA-N 381.432 2.854 0 1 GFAF COC(=O)c1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cn1 587094406 RKGNTKCZXLSLSR-AWEZNQCLSA-N 386.355 2.502 0 1 GFAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccccc1F)[C@@H](C2)C3=O 587425667 GDNWEFRRLFHJNY-LIRRHRJNSA-N 376.405 2.522 0 1 GFAF N[C@@H](N=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587162818 DVDMIUGBERIHNT-SFHVURJKSA-N 380.383 2.704 0 1 GFAF Oc1nc(O)c2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2n1 587017299 KOJRQQMXAJKZDQ-UHFFFAOYSA-N 377.389 2.601 0 1 GFAF COC(=O)c1ccnc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 587147853 CEXAJLKMLKCHHX-NSHDSACASA-N 386.358 2.539 0 1 GFAF CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NC(N)=O)C(=O)O)cc2)c1 13488336 WFFAETQHZOQQFA-KRWDZBQOSA-N 384.436 2.549 0 1 GFAF O=C(CNc1ccc(-c2ccccc2)nn1)N1CCN(Cc2ccccc2)CC1 13863652 OOAIQCZQUDBGQS-UHFFFAOYSA-N 387.487 2.900 0 1 GFAF N[C@@]12CC[C@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 169364063 JARIXOMLQISROZ-DQYPLSBCSA-N 382.938 2.955 0 1 GFAF N=c1[nH]c(C(=O)Nc2cc(-c3cnn(C4CCNCC4)c3)ccc2Cl)co1 1857552575 QMOXCKPNQRIEHW-UHFFFAOYSA-N 386.843 2.781 0 1 GFAF CC(=O)O[C@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356412500 RONVFHDKERFTPP-WWJVHAPQSA-N 394.552 2.899 0 1 GFAF C[C@@H]1O[C@H](OCCCCCCCCCCC[C@H](O)CC(=O)O)[C@@H](O)C[C@@H]1O 2356345354 OEUPNEHVNNGMKN-VKESLTNKSA-N 390.517 2.596 0 1 GFAF OC[C@@H]1[C@H](O)C[C@@H](NC2CCCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356288995 NRZATCAWOURNJI-KOUHRCEDSA-N 385.483 2.715 0 1 GFAF NC1=N[C@@](c2cccc(NC(=O)c3cnc(C(F)F)cn3)c2)(C(F)F)COC1 113660376 MNMKHNPNWDQPIY-KRWDZBQOSA-N 397.332 2.514 0 1 GFAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccccn2)CC1 26162594 QEGKYGJYCBVGHB-UHFFFAOYSA-N 384.524 2.693 0 1 GFAF COc1ccc(-c2ccc(S(=O)(=O)Cn3cccc(O)c3=O)s2)cc1 29129989 GJWCBBLTUFPHCJ-UHFFFAOYSA-N 377.443 2.722 0 1 GFAF CN1CCN(C(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)CC1 28523774 ITSDNNIFOOKUEO-UHFFFAOYSA-N 382.395 2.525 0 1 GFAF COc1nc(OC(C)=O)c(C(=O)c2ccc(Cl)cc2)c(OC(C)=O)c1OC 49033799 HCSMBXKPHXZZFN-UHFFFAOYSA-N 393.779 2.834 0 1 GFAF Cc1c(C(=O)N2Cc3nnn(-c4ccn[nH]4)c3C[C@@H]2C)cccc1C(F)(F)F 222436429 DFBQVWUVWWXOKB-JTQLQIEISA-N 390.369 2.905 0 1 GFAF NS(=O)(=O)c1c(F)c(F)c(-n2cc(CC3CCCCC3)nn2)c(F)c1F 95920655 AKKBBWYMCAYCPJ-UHFFFAOYSA-N 392.378 2.594 0 1 GFAF in-vitro CC(=O)N1CCC(c2nccnc2OC2CCN(c3ncccc3C)CC2)CC1 96169032 HZIAAITXAJGYHH-UHFFFAOYSA-N 395.507 2.954 0 1 GFAF CC(=O)N1CCC(c2nccnc2OC2CCN(c3ccc(C)cn3)CC2)CC1 96169030 IYXMPMLCAYWRSC-UHFFFAOYSA-N 395.507 2.954 0 1 GFAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@@]12C(=O)N(C)c1ccccc12 473146040 CGXDLMPLGQRQEB-JBYIUTFZSA-N 379.412 2.601 0 1 GFAF CC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(OCC(=O)O)=CO1 587617508 PXRSAMYIIUXFIX-WIYYLYMNSA-N 396.351 2.969 0 1 GFAF Cc1c(O)ccc2c1[C@](C)([C@H](NC(=O)c1ccccc1)C(C)C)N[C@H](C(=O)O)C2 963510385 QHBHZLWGZCPQDK-XTQVGHSUSA-N 396.487 2.969 0 1 GFAF C[C@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 5067703 NKCJLLSGDIRBCN-HOCLYGCPSA-N 375.494 2.550 0 3 GFAF COC(=O)c1ccc2ccccc2c1CCCn1cnc2c1NC=NC[C@@H]2O 13807728 MIKPTUCVJMIOKY-SFHVURJKSA-N 378.432 2.943 0 1 GFAF Cn1cc(C(=O)c2cncc(NC(=O)C3Cc4ccccc4C3)c2)c2cncnc21 169707882 YFQOOFKBHKDYOU-UHFFFAOYSA-N 397.438 2.948 0 1 GFAF CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4c3CCC4)nnc21 205093173 YRKPWHUAGLFMIK-UHFFFAOYSA-N 378.411 2.641 0 1 GFAF Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc(O)c2cc[nH]c2n1 1857608710 TZXXKRWABBNPAO-UHFFFAOYSA-N 394.357 2.572 0 1 GFAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCc1cc(C(=O)O)no1 3590180 LKZICHJJXPZWQS-UHFFFAOYSA-N 385.424 2.972 0 1 GFAF CC[C@H]1C[C@H]2CN3CC[C@@]4(O)C(=Nc5ccc(OC)cc54)[C@](C(=O)OC)(C2)[C@H]13 105381579 AVRFPRAAVSCSSZ-YPENQOSPSA-N 384.476 2.652 0 1 GFAF Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1 29125430 QDQIMFROIBVZCR-LJQANCHMSA-N 385.895 2.769 0 1 GFAF Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 110652191 FEIJSKWHWDSAHF-KBPBESRZSA-N 385.376 2.735 0 1 GFAF O=C(c1cccnc1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1 68267319 YBOJYRLDNAYSID-UHFFFAOYSA-N 389.390 2.651 0 1 GFAF CC(C)NC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]12 8296765 KHHALLMRPZYFMX-IRXDYDNUSA-N 398.488 2.658 0 1 GFAF biogenic CC(=O)O[C@@H]1Cc2cc3c(cc2C2=NCc4c(ccc5c4OCO5)[C@@]21C)OCO3 13380157 MGTASFKHNQIQPG-DENIHFKCSA-N 393.395 2.892 0 1 GFAF biogenic C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccccc3)c(=O)n21 82210813 YPMLYNUGNXDSJK-AWEZNQCLSA-N 380.423 2.796 0 1 GFAF Cc1ccc(-c2nn(Cc3nnc(Nc4ccc(F)cc4)s3)c(=O)n2N)cc1 43009101 IEIFMFFFFYDTJA-UHFFFAOYSA-N 397.439 2.517 0 1 GFAF O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893514 AQXNNYWGKMHKPX-HKBOAZHASA-N 376.456 2.802 0 1 GFAF COC(=O)[C@H](Cc1ccc(OC)c(OC)c1)NC(=O)/C=C\c1ccc(OC)cc1 238779387 FXMITKCQEXIIPZ-QCSXQHJISA-N 399.443 2.626 0 1 GFAF COC1=C(c2ccccc2)C(=O)O[C@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 95594066 BDKJWIMCKYLJNX-FPOVZHCZSA-N 399.418 2.679 0 1 GFAF COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@H]2CO 95877861 CCYDRPIXILLTMH-XJABCFGWSA-N 384.451 2.839 0 1 GFAF C=CS(=O)(=O)N1CCN(Cc2ccc(Br)c(Cl)c2)CC1 618020285 YOEUZHIYJHGQLP-UHFFFAOYSA-N 379.707 2.693 0 1 GFAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1cncnc1 261103201 GWIZLJIYMIRQCR-INIZCTEOSA-N 396.378 2.632 0 1 GFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCN1C(=O)c2ccccc2C1=O 587650878 GPCQPANSCVKMGP-UHFFFAOYSA-N 382.441 2.719 0 1 GFAF COc1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2cc1OC 587127193 NZIURSNRGSMBPJ-UHFFFAOYSA-N 387.339 2.936 0 1 GFAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587970496 INIVPAWUVZSNOW-RNLVFQAGSA-N 393.115 2.843 0 1 GFAF COC(=O)[C@@]1(C(C)C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963202508 ZRYLNOOTKILSIR-DOMZBBRYSA-N 379.762 2.982 0 1 GFAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2cccc(OCCO)c2)N1 962627307 FNXHDHFLORYDRK-RHSMWYFYSA-N 397.349 2.645 0 1 GFAF CC1=C[C@@]2(CC(=O)N1Cc1ccco1)NC[C@@H]1CC(=O)N(C)c3cccc2c31 963038708 XYXOTHAAQZLCKM-NYHFZMIOSA-N 377.444 2.865 0 1 GFAF C=CN1CC[C@H]([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N32)C1=O 962669950 PRTMFZAHQRDSPJ-BULFRSBZSA-N 379.460 2.541 0 1 GFAF CN(C)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(-c4ccnc(C5CC5)n4)nc3n2)C1 1772650579 SJPHJTKWPVLCQJ-CQSZACIVSA-N 391.479 2.597 0 1 GFAF CC(C)(CCN1CCOCC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 207733875 HLVFJLRXWSOGDL-UHFFFAOYSA-N 387.524 2.979 0 1 GFAF O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 1379422 MMLAEACVXKIRJW-INIZCTEOSA-N 385.395 2.867 0 3 GFAF Cc1ccc2nc3n(c2c1)[C@H](CNCc1ccc(S(C)(=O)=O)cc1)COC3 2356298914 KEEFAZCIOULYPR-MRXNPFEDSA-N 385.489 2.609 0 1 GFAF CO[C@@H]1C[C@]2(C(=O)Nc3cc(O)ccc32)[C@@H](c2c[nH]c3ccccc23)[C@@H](CO)O1 2356396584 PACWVIDGUPOUPQ-FCIYXJNOSA-N 394.427 2.601 0 1 GFAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2cccnc2)C=C1C 2356314086 DOUFMKWVCOCOFL-XUVXKRRUSA-N 387.524 2.819 0 1 GFAF O=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1-c1ccccc1 4238690 YAGIZEPEBTXABQ-UHFFFAOYSA-N 391.456 2.741 0 1 GFAF CC(C)N1C[C@H]2COCCN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 2356289294 SLHKTBNKCRJATB-KRWDZBQOSA-N 399.457 2.564 0 1 GFAF NC(=O)c1cc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1Cl 25965446 NLZRDPPRTVFTDO-UHFFFAOYSA-N 388.836 2.697 0 1 GFAF COc1cc2c(cc1OC)-c1cc(Nc3ccccc3C(=O)O)nc(=O)n1CC2 29242354 SKTKDHYEGPOWIT-UHFFFAOYSA-N 393.399 2.925 0 1 GFAF COC(=O)c1ccc2nc(CO[C@H]3CN(Cc4ncccc4C)C[C@@H]3F)[nH]c2c1 2356706729 RJNNNJXEXAITIC-KXBFYZLASA-N 398.438 2.792 0 1 GFAF Cc1cc(-c2ccc3nc(NC(=O)c4ccc(=O)oc4)nn3c2)cc(C)c1O 1911579787 AKXODMJVTWITBI-UHFFFAOYSA-N 376.372 2.924 0 1 GFAF CCc1[nH]c2nc(Sc3cncnc3)nc(N3CC[C@@H](N)C3)c2c1Cl 95588982 SHAJAONZBOQCHI-SECBINFHSA-N 375.889 2.652 0 1 GFAF CCOC(=O)[C@@H]1CC[C@]2(CO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617775 QXEFVLRAAZTWRZ-XGHQBKJUSA-N 384.384 2.835 0 1 GFAF COc1cc2c3c(c1)O[C@]1(CCS(=O)(=O)c4cc(F)c(F)cc41)[C@@H](C2)C3=O 587428110 NKUIZYMYRPZZMN-BUXKBTBVSA-N 392.379 2.794 0 1 GFAF COc1cc(Br)cc(C=O)c1OCc1nc2ccnc(O)c2[nH]1 586980093 IKGKTHLUDFIPTH-UHFFFAOYSA-N 378.182 2.826 0 1 GFAF COC(=O)[C@@H]1C[C@]2(CCN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346109 RJUAQKVPHHWBLM-JLMWRMLUSA-N 399.418 2.896 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069913 MHKSOQOQTMKTBR-ZDUSSCGKSA-N 392.912 2.752 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(C)ccc(C)c3[nH]2)[C@@H](C)O)cc1 586936231 HZBPYYWMESMEBU-FZKQIMNGSA-N 389.477 2.589 0 1 GFAF COc1cc2c(cc1OC)[C@@H](c1nc(Br)cnc1N)N(C)[C@@H](C)C2 962620008 ICODQGWXEDMQOM-FVMDXXJSSA-N 393.285 2.804 0 1 GFAF O=c1n(Cc2cc3ccncc3n2CCCCO)c2cnccc2n1C1CC1 200626623 ROXMYRJLBPXANS-UHFFFAOYSA-N 377.448 2.703 0 1 GFAF O=C(O)Cc1nn(Cc2noc(-c3ccccc3Cl)n2)c(=O)c2ccccc12 13449047 GBHKFHLSCGKYDH-UHFFFAOYSA-N 396.790 2.775 0 1 GFAF CNC(=O)c1cc2c(Oc3ccc(C(=O)N4CCOCC4)cc3)cncc2s1 13864437 BAAJYWFFKGTIBG-UHFFFAOYSA-N 397.456 2.921 0 1 GFAF CCNC(=O)N1CC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 205474543 ABHOHBUEUBKBOY-YWBKXGLFSA-N 399.535 2.885 0 1 GFAF COc1ccc(CCN(C)[C@H]2CCCN(c3ccnc(N(C)C)n3)C2)cc1OC 1857555628 ACEGJZLIPJZVKL-SFHVURJKSA-N 399.539 2.703 0 1 GFAF CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2O1 1857572066 LGCXMCBXSOYDBH-UHFFFAOYSA-N 393.447 2.532 0 1 GFAF CN1C[C@@H](C[C@@H]2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 1857612052 WRADCISQZXKNIK-TZMCWYRMSA-N 383.448 2.813 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC1=C2[C@](C)(CO1)[C@@H](O)CC[C@@]23C 2356325896 SENHZXFMEPETDI-ZZGJMUMGSA-N 376.493 2.942 0 1 GFAF Cc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1 6745124 XGWOXWXUYIPTQE-UHFFFAOYSA-N 399.516 2.628 0 1 GFAF O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@H]([C@@H]35)N2Cc1ccc(I)cc1 101668992 LTAWJWNPMAZAIW-PXWPQYHUSA-N 391.252 2.552 0 1 GFAF CCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 20138940 UUHGVIRYFOYJIC-VXKWHMMOSA-N 389.499 2.688 0 1 GFAF CC(C)C[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O 61959700 JXSVZYKHJHDEPQ-KRWDZBQOSA-N 381.480 2.687 0 3 GFAF COc1ccc([C@H]2Sc3c(F)cccc3N(CCN(C)C)C(=O)[C@H]2O)cc1 27744030 MDGHORXBYLKKAZ-ZWKOTPCHSA-N 390.480 2.937 0 1 GFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCC2CCOCC2)O3)c1 61904146 ULLOAWRHWZNMHB-HXUWFJFHSA-N 395.459 2.553 0 3 GFAF C[C@H](CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 21529594 UXGRIPVGYNNBJN-GFCCVEGCSA-N 396.534 2.732 0 1 GFAF O=c1n(Cc2nc3ccccc3n2CCC2(O)CC2)c2cnccc2n1C1CC1 28820884 KACANZKCEBVPSW-UHFFFAOYSA-N 389.459 2.846 0 1 GFAF COc1c2c(nc3occc13)[C@](C=CC(C)(C)O)(OC)[C@@H](OC(C)=O)CC2 2356549643 COPSXBJZFMKKPE-MGPUTAFESA-N 375.421 2.883 0 1 GFAF OCCN1CCN(C[C@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1 26660386 YZIDTWIJPIHTCE-AGILITTLSA-N 378.516 2.815 0 1 GFAF Cn1c2cc(S(C)(=O)=O)sc2c2cnn(Cc3ccccc3F)c(=O)c21 36380225 QDFROAJYLKZZSG-UHFFFAOYSA-N 391.449 2.541 0 1 GFAF NC(=O)[C@@H]1CCCN1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12 45314693 DXJFDXSNQHSZNE-IBGZPJMESA-N 378.428 2.822 0 1 GFAF COCc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1 1911575825 GTBVWLAMASZLOC-UHFFFAOYSA-N 380.448 2.928 0 1 GFAF CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1csc(CC)n1 82070692 NHWXBTFXHHOQEO-OAHLLOKOSA-N 382.574 2.842 0 1 GFAF COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(C)C(C)=O)cc1 95668099 LGGSSJDTDOKXLU-MQSCRBSSSA-N 396.487 2.516 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587762589 TXXYFJFMTKIPMS-VZSAFFHGSA-N 399.304 2.833 0 1 GFAF CCN(C[C@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21)S(C)(=O)=O 149596972 COFXALPWFBPCHB-AWEZNQCLSA-N 382.432 2.715 0 1 GFAF COC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169298929 NKPHVJAVUYSGSZ-QSNWEANLSA-N 396.418 2.516 0 1 GFAF O=C(O)[C@H]1CN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1 169363094 AYWYOYAKLYFQAR-BKULYWANSA-N 376.500 2.982 0 1 GFAF O=C(Nc1ccc(C(=O)N2C[C@H]3COC[C@H]3C2)cc1)N1Cc2ccccc2C1 166526910 GADLDBMQWLXTGR-KDURUIRLSA-N 377.444 2.953 0 1 GFAF O=C1NC2(Cc3ccccc3C2)Nc2ccc(I)cc21 205353540 UYUYIMIXHAZYTP-UHFFFAOYSA-N 376.197 2.942 0 1 GFAF COc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1cccnc1 4127582 UUMOMJJBWIADAQ-ACZWYYKOSA-N 377.444 2.783 0 1 GFAF COC1=NC2=C(CN1)[C@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 102058748 QLQQIVYMJUUTHZ-MLGOLLRUSA-N 381.885 2.515 0 1 GFAF CCOC(=O)[C@]1(CC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 101964218 YIKURKMRWAQOKN-RQXXJAGISA-N 396.443 2.750 0 1 GFAF CSc1c(Cl)nc(-c2ccc(NC(N)=O)cc2)nc1N1CCOCC1 118178581 BBJHHQOLRNLMPA-UHFFFAOYSA-N 379.873 2.846 0 1 GFAF O=C(Cc1ccccc1Cl)NCCNC[C@@H](O)COc1ccccc1Cl 28264890 QJTJRCZDPKECMQ-OAHLLOKOSA-N 397.302 2.682 0 1 GFAF C[C@H]([C@@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118925231 MEGHYHKXGSKUIU-DPETZBFLSA-N 380.569 2.966 0 1 GFAF Cn1ccnc1CN1CC[C@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@H]1c1ccccc1 2356726041 QFWLLFMMQVVXQV-GIWBLDEGSA-N 396.535 2.793 0 1 GFAF NCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1 72108965 HZKYHEJDIBLOJJ-UHFFFAOYSA-N 383.402 2.873 0 1 GFAF CN1CCC2(CC1)CN(c1ncnc3[nH]cc(-c4cccc(C#N)c4)c13)CCO2 210755999 HEZSSKBBLQBTMF-UHFFFAOYSA-N 388.475 2.798 0 1 GFAF Cn1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1 146838674 NKNGHCYXVMEURB-UHFFFAOYSA-N 376.420 2.978 0 1 GFAF Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(F)c(F)c3Cl)N(C)C2=O)cn1 95565718 JIKJEQSHEJYJGT-AWEZNQCLSA-N 394.809 2.878 0 1 GFAF Clc1ccc(-n2cc(-c3nc4nc(Br)c[nH]c-4n3)nn2)cc1 587075769 KJZRTNKUTTYWBE-UHFFFAOYSA-N 376.605 2.968 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1cc(S(N)(=O)=O)c(C)cc1C)[C@@H](C2)C3=O 587447542 BQXCVJCBABBZFN-MGPUTAFESA-N 387.457 2.622 0 1 GFAF NS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587609074 UPHIXCYWKDCNJB-PXNSSMCTSA-N 397.408 2.743 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)/C=C\C(=O)O)cc1)[C@@H](C2)C3=O 587433790 WPKLUOSGNNBDFW-AOGCFKLCSA-N 393.395 2.937 0 1 GFAF CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3cc(F)ccc13)c(=O)n2C 587635847 OIRSNOFCJLLSEA-UHFFFAOYSA-N 397.454 2.868 0 1 GFAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12NCCc1cccc(-c3ccccc3)c12 962661270 JFTMWBNXRSZJED-SIKLNZKXSA-N 399.512 2.692 0 1 GFAF COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)c1ccc(F)cc1 12530252 VICYRGHEMPPMER-IBGZPJMESA-N 393.418 2.811 0 1 GFAF biogenic CCOC(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 169319061 QZRBTAPRSPBGOL-SBHAEUEKSA-N 387.432 2.975 0 1 GFAF COc1ccc2c(c1)c(-c1[nH]c(=N)[nH]c1C)cn2S(=O)(=O)c1ccccc1 1857607888 VYGXOQSHEOVSGK-UHFFFAOYSA-N 382.445 2.998 0 1 GFAF CCCC[C@]1(CO)C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]1O 58543117 FUENFDZJVVFQJQ-KSNWGTGWSA-N 387.520 2.504 0 1 GFAF COC(=O)c1cc2ccc(OCCN(C)C(=O)OC(C)(C)C)cc2oc1=O 27088542 YRWOCCCIAZWQCU-UHFFFAOYSA-N 377.393 2.825 0 1 GFAF C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 27631967 QJPCKAJTLHDNCS-YGGFGHTJSA-N 390.520 2.719 0 1 GFAF COc1ccc(-c2cc(C(N)=O)c3ncnc(N[C@H]4CCCNC4)c3c2)cc1 114349338 SOCBMSNYZZANAU-HNNXBMFYSA-N 377.448 2.568 0 1 GFAF CS(=O)(=O)c1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(F)cc3)C2)cc1 66260221 HKZUQQZYMINJRP-MRXNPFEDSA-N 377.466 2.624 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356527382 FLMSQRUGSHIKCT-UIHIFSCKSA-N 390.520 2.575 0 1 GFAF COC(=O)C=C1CC[C@@H]2[C@H]([C@@H]1C)[C@H](O)C(=O)[C@H]1[C@@]2(C)CCC[C@@]1(C)C(=O)OC 2356589767 RRPIJHDEEYGWIX-GYHTUSQFSA-N 392.492 2.677 0 1 GFAF COc1cc(C[C@H]2COC(=O)C2=Cc2cc(OC)c(O)c(OC)c2)ccc1O 2356712685 KTBONQWAVWHBCB-AWEZNQCLSA-N 386.400 2.923 0 1 GFAF CN(Cc1ccsc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 7097045 PBDMVMDHVNVCMQ-UHFFFAOYSA-N 377.422 2.538 0 1 GFAF biogenic COc1cc(/C=C/C(=O)O)ccc1OCc1cn(-c2ccc(C(=O)O)cc2)nn1 1911580337 IELRKQRTBUBFFO-YCRREMRBSA-N 395.371 2.651 0 1 GFAF CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1ccc2c(c1)OCO2 199207816 DDSBUKUXUDNXQT-OAQYLSRUSA-N 396.443 2.794 0 3 GFAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F 95566924 CNWBELVFJUWSNA-CMKODMSKSA-N 383.423 2.943 0 1 GFAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2cccc3ccccc23)CC1 261192393 ZPXUSKUJOYAZDE-ZWOKBUDYSA-N 397.544 2.989 0 1 GFAF Cc1cnc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 587003698 WKZMASXZJAKYGD-UHFFFAOYSA-N 387.237 2.997 0 1 GFAF Oc1nccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587119072 VISLMEUEYRAWFA-UHFFFAOYSA-N 376.136 2.884 0 1 GFAF COc1ccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524264 LCFIELMGNYTJNH-QFIPXVFZSA-N 384.428 2.754 0 1 GFAF CCn1ncc(N)c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656299 JCORUVKSCQVXKU-UHFFFAOYSA-N 395.369 2.829 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CO)c1ccccc12 587770814 RFQGEGUJHXTKIR-MLCYQJTMSA-N 391.240 2.662 0 1 GFAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2Cn2cncn2)cc1 587651138 LLLCHJRFNKDIQL-UHFFFAOYSA-N 382.445 2.887 0 1 GFAF COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12 1772632425 DGAIMGBFXYHJQY-KRWDZBQOSA-N 399.451 2.617 0 1 GFAF COC(=O)c1c[nH]c2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2c1=O 1772607636 ZQAOLBKJXNIZLA-UHFFFAOYSA-N 395.434 2.776 0 1 GFAF COc1cc(C(=O)N[C@@H](C)CO)ccc1OC1CCN(C2CCCC2)CC1 11662034 INHSEOYGXYOKAO-HNNXBMFYSA-N 376.497 2.592 0 1 GFAF COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@@H]3COC(=O)[C@@H]32)cc(OC)c1OC 13434608 RINWQCSDWSZGDJ-DPMMWBKBSA-N 386.400 2.601 0 1 GFAF biogenic CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 760314 FEQYZDLIDLKROK-RDJZCZTQSA-N 389.496 2.811 0 1 GFAF CCCC[C@@]12[C@@H]3C[C@H]4[C@@H]([C@@H](C)C=C5OC(=O)C(C)=C5OC)[C@@](O)(O3)[C@H]1CCN42 2356480662 LLRUDQNWYFSTOW-DWJMXXRCSA-N 389.492 2.724 0 1 GFAF CC(C)OC(=O)C(=Cc1cc(=O)n(C)nc1-c1ccccc1)C(=O)OC(C)C 28825817 BOYQSMNFRWLPOB-UHFFFAOYSA-N 384.432 2.734 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(C=CC(=O)O)cc3[C@H]2C(=O)O)ccc1O 2356564943 JTHPLBUVRLOJBB-MSOLQXFVSA-N 386.356 2.809 0 1 GFAF COc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)c2cnccn2)cc1 29394280 DRJANVWMVFHIHM-UHFFFAOYSA-N 385.401 2.505 0 1 GFAF CC(C)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1c[nH]cn1 29565841 XMLFNBQRGLNRSH-LJQANCHMSA-N 397.479 2.891 0 1 GFAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NCCCc2ccccc2)n1 2356822442 FVPIGFJANQFGHP-UKAVVXHISA-N 396.535 2.943 0 1 GFAF c1ccc(CN[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5cccs5)n4)CO[C@H]23)cc1 2356854082 RLHWYBNVSMIEOK-HNBVOPMISA-N 394.500 2.942 0 1 GFAF O=C1NC(NCc2ccc(Br)cc2)=N/C1=C\c1c[nH]c2ncccc12 40980063 ZRWUMSDQBWWHKW-NVNXTCNLSA-N 396.248 2.942 0 1 GFAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CC3)cc2F)cn1 224709061 HZVMLWUEOXUFTH-UHFFFAOYSA-N 384.436 2.973 0 1 GFAF O=C(NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1)C1CC1 40567557 LHDOFSIGMKCPIU-INIZCTEOSA-N 396.422 2.592 0 1 GFAF C[C@H]1CCCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1 139594669 HSCDAWNZAILNKB-AWEZNQCLSA-N 376.464 2.829 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccccc2)cc1 95895641 GORVFQJRTXHRGE-ZWUWRBQWSA-N 378.472 2.825 0 1 GFAF Cc1noc(C)c1-c1cncc(CC[C@@H]2CCCN2C(=O)CCn2ccnc2)n1 257317601 VKLMKIVFGIHZLE-SFHVURJKSA-N 394.479 2.959 0 1 GFAF CCOc1n[nH]c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1Br 586979288 AJDMXQHXJFIKGC-UHFFFAOYSA-N 378.230 2.816 0 1 GFAF Cc1cc(Br)cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 587204757 SUEKIMJGJSVOKF-LBPRGKRZSA-N 381.274 2.713 0 1 GFAF C[C@@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C=C(c2ccccc2F)NO1 587156634 ONTWYWHZRRXCGJ-KRWDZBQOSA-N 375.381 2.740 0 1 GFAF COC(=O)CCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587762667 ZEDBBOXVDUBKDP-QGHHPUGFSA-N 396.260 2.971 0 1 GFAF Cc1ccc(NC(=O)CSCCc2nc3c(O)nc(S)nc3[nH]2)cc1 586971360 VFGSGHCWEUIPPK-UHFFFAOYSA-N 375.479 2.570 0 1 GFAF COC(=O)[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351275 TYCIGFLAQFYGPE-DJPFJPOOSA-N 385.391 2.554 0 1 GFAF COC(=O)[C@]1([C@H]2CCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587805545 HKOLSVUQTKEZSP-LTHLMHMASA-N 384.245 2.860 0 1 GFAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cnncc2[nH]1 587109522 XAPRAKNUALQKOX-ZDUSSCGKSA-N 397.382 2.898 0 1 GFAF CC[C@H]1CN(CCNC(=O)c2cc(C)nn2CC)Cc2cc(OC)ccc2O1 11976866 WSCOYEHQNNBVJX-KRWDZBQOSA-N 386.496 2.623 0 1 GFAF C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 13545449 QJPCKAJTLHDNCS-STPRYWCXSA-N 390.520 2.719 0 1 GFAF Nn1c(S)nnc1Cn1c(=O)cc(-c2ccccc2)c2cc(Cl)ccc21 1857560181 LKDLGBKYQHRKHR-UHFFFAOYSA-N 383.864 2.964 0 1 GFAF Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1N1CCOCC1 1857605093 YPWWJYHFLICEET-UHFFFAOYSA-N 393.491 2.825 0 1 GFAF CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(F)cc1 4035994 VKAGWPYDVFXYDY-GOSISDBHSA-N 375.425 2.895 0 1 GFAF O=c1c2[nH]cnc2n(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccccc1 26738113 WGCZTDFKIVQJCC-UHFFFAOYSA-N 386.333 2.943 0 1 GFAF CCOC(=O)c1nc(NCCCN2CCc3ccccc3C2)c2c(C)noc2n1 21937738 RDIDTXTVOCMJDI-UHFFFAOYSA-N 395.463 2.963 0 1 GFAF NC(=O)c1c(F)ccc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2 117362769 TUJRHEPBGFDNPT-UHFFFAOYSA-N 395.425 2.923 0 1 GFAF Cc1nnc(SCc2cn(C[C@@H]3Cc4c([nH]c5ccccc45)CN3)nn2)s1 64539044 AZRUBEALWCRZCZ-LBPRGKRZSA-N 397.533 2.926 0 1 GFAF CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(COc3cc(=O)n(C)c4ccccc34)nn1)C2 100597469 MRAFPSCFFKYOBV-BJWYYQGGSA-N 379.464 2.507 0 1 GFAF CC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCCO3)OCCO4 27851639 KXDJXTGNHSILFD-QZTJIDSGSA-N 379.412 2.972 0 1 GFAF CCN(CC)C[C@H]1CCCCN1CC(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 23478192 REKXQUNAUIKCRQ-QZTJIDSGSA-N 386.540 2.804 0 1 GFAF NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)C(F)(F)OC(F)(F)O3)cc1 28712025 SYOOGSRRCOCSFU-UHFFFAOYSA-N 378.303 2.978 0 1 GFAF CC(=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@@]2(C)CC[C@@H](O2)[C@H]1C)C(N)=O 2356535661 GRVRRAOIXXYICO-AKYDWNHNSA-N 395.540 2.534 0 1 GFAF CNC(=O)[C@H](N)Cc1cccc(-c2cc3nc(NC)c4ncc(C)n4c3s2)c1 28950796 MXCVCAHPICGSHU-CQSZACIVSA-N 394.504 2.577 0 1 GFAF CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccccc3)[C@@H]2O)c1 71330865 LCGDGEISYQZCHX-FSSWDIPSSA-N 387.545 2.916 0 1 GFAF Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)nc2)cn1 45337725 JMVZIJPOVHYPOC-UHFFFAOYSA-N 378.363 2.683 0 1 GFAF CCCCn1nnc2cc3c4c(cccc4c21)C(=O)N(CCCN(C)C)C3=O 82153191 CDIILIISLKWYOH-UHFFFAOYSA-N 379.464 2.932 0 1 GFAF CC[C@@H](C)OC(=O)[C@@H]1C[C@H]2C[C@@H](Oc3ccccc3-c3nnn[nH]3)CC[C@H]2CN1 87723525 GUJDAZQDHPVNBE-OCABDXPQSA-N 399.495 2.734 0 1 GFAF CCC(=O)[C@@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@H]1[C@@H](C)[C@H](C(C)C)O[C@](O)(CC)[C@H]1C 198046794 SYYCBACQWWZAEZ-UWSYQECFSA-N 386.529 2.936 0 1 GFAF CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccccc1)[C@H](OC(C)=O)C2=O 95554283 RVCPJJPKXPNUJX-NHCUHLMSSA-N 398.367 2.785 0 1 GFAF CN1CC[C@H](c2cc(-c3cnc(N)c(F)c3)nn2C2CC(F)(F)C2)CC1=O 146501340 VBNWFPXDPDRAGF-JTQLQIEISA-N 379.386 2.972 0 1 GFAF COc1ccc(CN2[C@H](CO)[C@@H]3c4ccccc4N(C(=O)NC(C)C)C[C@@H]32)cc1 95894150 PJHPMRRPGVCKKD-BHDDXSALSA-N 395.503 2.962 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)CC)N(Cc3ccccn3)[C@H]2CO)cc1 95895856 JQIVQIXEWIJDCO-DTQBFJGPSA-N 379.504 2.970 0 1 GFAF COC(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1OC 587035418 UCLWASHFEJTWDS-UHFFFAOYSA-N 385.445 2.838 0 1 GFAF Oc1ncnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 587000209 HBRNSGOOTDJGDA-OWOJBTEDSA-N 375.182 2.763 0 1 GFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587193918 IKWANFUTNXWQJV-LBPRGKRZSA-N 380.420 2.918 0 1 GFAF COC(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440680 CFSACSRGGHFVSD-ZHRRBRCNSA-N 398.411 2.918 0 1 GFAF COCCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658944 WQZYPFJLZVWFRG-UHFFFAOYSA-N 375.400 2.711 0 1 GFAF CNC(=O)COc1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587434006 ZHHOCLUVUIUXLQ-ZHRRBRCNSA-N 381.428 2.926 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(C)ccc(C)c3[nH]2)[C@H](C)O)cc1 586936233 HZBPYYWMESMEBU-SCLBCKFNSA-N 389.477 2.589 0 1 GFAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C)C1=NCCS1 963146358 NAMGPTATPKUPSO-HWPZZCPQSA-N 383.495 2.750 0 1 GFAF NCCc1c[nH]c2ccc(C[C@H]3NC(=O)N(CCCc4ccccc4)C3=O)cc12 13603457 JQSUNYUZXKGGSK-OAQYLSRUSA-N 390.487 2.765 0 1 GFAF C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1 13649030 BWKDAPHQCSKUFE-PJSUUKDQSA-N 390.430 2.593 0 1 GFAF CCCC[C@]1(CO)C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]1O 169366347 FUENFDZJVVFQJQ-UBSQCZIESA-N 387.520 2.504 0 1 GFAF CNc1nn2c(OC)cc(-c3cccnc3)nc2c1S(=O)(=O)c1ccccc1 169699841 RQGZCEUPKJEOAP-UHFFFAOYSA-N 395.444 2.674 0 1 GFAF O=C1NC[C@H](CC2CCCCC2)C(=O)[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1 169727278 ODEXRFIYCPSBSB-QFBILLFUSA-N 394.475 2.713 0 1 GFAF N=c1[nH]c2nc(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2[nH]1 1857552446 YQIGSJXFGJOBQR-UHFFFAOYSA-N 379.851 2.860 0 1 GFAF CCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1cccc(F)c1)CC2 1857558652 TXUPWRDZDJBGKJ-UHFFFAOYSA-N 393.462 2.776 0 1 GFAF COC(=O)c1cc2nc(SCC(=O)Nc3cnccn3)[nH]c2cc1Cl 1857562420 GSTNPNQEANEZKC-UHFFFAOYSA-N 377.813 2.524 0 1 GFAF NC(=O)c1c(F)ccc(OCn2nc(-c3ccc(Cl)cc3)oc2=O)c1F 1857584101 CKKVAWSZHDHKHY-UHFFFAOYSA-N 381.722 2.570 0 1 GFAF COc1ccc(Cn2cc(CNC(=O)c3cc(-c4ccccc4)on3)nn2)cc1 1857600470 YRWPZUKGWIFYNE-UHFFFAOYSA-N 389.415 2.920 0 1 GFAF COc1cc2ncc(-c3cccc(C(N)=O)c3)n2cc1S(=O)(=O)C(C)(C)C 1857635168 PITDGHGGVLZIMB-UHFFFAOYSA-N 387.461 2.681 0 1 GFAF CN=c1[nH]cc(C(=O)OCc2ccccc2Cl)c2nc(-c3ccco3)nn12 1857772710 WBMARTCQUWTJOJ-UHFFFAOYSA-N 383.795 2.858 0 1 GFAF Cc1[nH]c(C)c(S(=O)(=O)NCc2ccc(F)cc2)c1C(=O)N1CCCCC1 9684523 DVLYDJQQZQPVLJ-UHFFFAOYSA-N 393.484 2.875 0 3 GFAF O=C(O)/C=C/c1cccc(N2CCCN(c3cccc(/C=C/C(=O)O)n3)C2=O)n1 103246178 DCBDRDXBLAWSJF-GFULKKFKSA-N 394.387 2.509 0 1 GFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2C)CCCC4)C[C@@]3(O)[C@@H]1C5 101027413 FITWJUAGQFUQPT-ZQAWKMMESA-N 392.499 2.528 0 1 GFAF CCC(=O)NS(=O)(=O)c1ccc(C)cc1-c1ccc(Cn2cncn2)cc1 103244574 UTKOJRIKEMONMP-UHFFFAOYSA-N 384.461 2.517 0 1 GFAF CN1CCN([C@@H](c2cccc(C(F)(F)F)c2)c2nnnn2C(C)(C)C)CC1 22574790 CBYYEMYUHNCPAM-HNNXBMFYSA-N 382.434 2.784 0 3 GFAF CC1(C)c2cc(OCCNC[C@@H](O)CO)ccc2C(=O)c2c1oc1ccccc21 114803539 UIWIYYNKOJCQJK-CQSZACIVSA-N 395.455 2.625 0 1 GFAF CC(=O)O[C@@H]1C[C@H](C)Cc2ccc(C)c(C=C[C@H](O)C[C@@H](O)CC(=O)O)c21 2356691242 CFHKAMNUJQAFGO-UMBPUVEWSA-N 376.449 2.781 0 1 GFAF CN(C(=O)OC(C)(C)C)[C@H](CC(=O)OCC(Cl)(Cl)Cl)C(=O)O 2356824029 GRGCGXJCTZPHIC-SSDOTTSWSA-N 378.636 2.610 0 1 GFAF CCc1cc(=O)oc2nc(OCc3ccc(-c4cncnc4)cc3F)[nH]c(=O)c12 73196148 MFWLTSFWIGHEOX-UHFFFAOYSA-N 394.362 2.614 0 1 GFAF COc1cc(C[C@H]2COC(=O)[C@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646694 XMLWGUKRPGLJGA-GJZGRUSLSA-N 388.416 2.698 0 1 GFAF biogenic Nc1ncc(-c2cc(N3C4CC5CC(C4)CC3C5)nc(N3CC4CC3C4)n2)cn1 221282353 CKFLBARNNKTRBE-UHFFFAOYSA-N 389.507 2.882 0 1 GFAF COc1ccc([C@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1 45317343 AMGOJWXLMBWGFD-HXUWFJFHSA-N 386.404 2.960 0 1 GFAF CCOC(=O)C1=C(C)NC(=O)N([P@]2(=O)NCCCO2)[C@@H]1c1ccccc1 84724148 UUNDPPLPIIFODK-WZQKQDCOSA-N 379.353 2.708 0 1 GFAF COc1ccc(Cn2cnc3c4nc(=O)n(-c5ccccc5)c-4ncnc32)cc1 95585857 NJDVOUVKFNEHRH-UHFFFAOYSA-N 384.399 2.534 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(OC)c3)cc2)[C@@H]1CNC(C)=O 95667680 UKKXAUROBSAGGY-QZNHQXDQSA-N 396.487 2.564 0 1 GFAF CCCC[C@H](O)C1=C[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@]3(O)C1 299810690 WBVBPFKXFKIIPB-UJLKNZRXSA-N 385.504 2.567 0 1 GFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 962942862 CGQLJUXRKAMLEI-MCMMXHMISA-N 375.428 2.767 0 1 GFAF COc1ccc(CCN2C[C@H](C(=O)NCc3cnn(C(C)C)c3)CCC2=O)cc1 12588818 PJSRRTMAHRZVQE-LJQANCHMSA-N 398.507 2.570 0 3 GFAF O=C(O)CSCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 13488395 AFVYXQHLVZPGPW-MUJYHSJXSA-N 377.506 2.735 0 1 GFAF O=C(CC1(c2ccc(Cl)cc2)C2CC3CC1CC(C2)C3O)N1CC(O)C1 202369709 RZLFJZZVQBPLGW-UHFFFAOYSA-N 375.896 2.598 0 1 GFAF O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccsc1 2483218 MQUHWMRAMDLHKR-UHFFFAOYSA-N 376.409 2.948 0 1 GFAF COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4cccn4C)CC3)C2)cc1 3956362 QMRFEJKBPIMZSH-UHFFFAOYSA-N 382.464 2.804 0 1 GFAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@@H](NC2CCCC2)C[C@H]1O 2356288994 NRZATCAWOURNJI-JYAXBFRTSA-N 385.483 2.715 0 1 GFAF CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1coc2ccc(C)cc2c1=O 71405073 XEISBKBSGOZAFS-CYBMUJFWSA-N 396.321 2.835 0 1 GFAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1[C@@H]1C[C@H](O)[C@@H](O)[C@@H](C)O1 14441494 URTJMLCOGKHVDK-LOSHNPLJSA-N 398.411 2.746 0 1 GFAF biogenic COc1cc2c3c(c1OC)-c1cc(NS(C)(=O)=O)ccc1C[C@H]3N(C)CC2 1911578384 VVJISIDSYVEBMB-MRXNPFEDSA-N 388.489 2.827 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2F)n1 82151037 IQYUQNOBSGHCBK-UHFFFAOYSA-N 387.459 2.559 0 1 GFAF C/C(=C\CSCCC(=O)O)CCn1cc(CCO[C@@H]2CCCCO2)nn1 84724271 QVOXNUIXSYHXAX-YLRAASNFSA-N 383.514 2.908 0 1 GFAF COC[C@@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 45315240 NYCAJGBSVDYKKD-BTJLNZGRSA-N 381.885 2.776 0 1 GFAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2)nc1 222633962 UONJNRFTRVSUOS-WBVHZDCISA-N 378.432 2.737 0 1 GFAF CS(=O)(=O)NCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1 84634104 PAJKWVSSOAMVSC-UHFFFAOYSA-N 384.465 2.537 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNC(=O)c3[nH]c(Br)cc31)O2 587372996 OTHIUBLPPKFFFS-KRWDZBQOSA-N 390.237 2.662 0 1 GFAF O=C1CSC[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)N1 587042149 AHXXMDAMYGTXQL-ZETCQYMHSA-N 391.088 2.992 0 1 GFAF CCCc1c(O)ccc2c1O[C@H]([C@@H](CC(=O)OCC)C(=O)OCC)CC2=O 587483302 QATNJLLTCCBIPG-PBHICJAKSA-N 378.421 2.811 0 1 GFAF COCCOc1cccc(F)c1[C@]1(C)NCCc2ccc(C(=O)N(C)C)cc21 962930872 MZRJUCUTMUCRTJ-JOCHJYFZSA-N 386.467 2.962 0 1 GFAF CC(C)(O)COc1cc(C(=O)N[C@H](CN)c2ccccc2)ccc1-c1cn[nH]c1 1772572163 OSDWJAUTLIVEOA-LJQANCHMSA-N 394.475 2.656 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](C)N[C@H](C)C3)c(Cl)c21 13649602 ZOLXCVRUMPNKLP-NXEZZACHSA-N 381.835 2.699 0 1 GFAF COc1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC 13681652 WEFVJFWVCGAWFF-UHFFFAOYSA-N 392.411 2.771 0 1 GFAF CN1C(=O)[C@H]2C[C@H]3[C@@H]4Nc5ccc(Cl)cc5C(C)(C)[C@@H]4CN3[C@@H]2N(C)C1=O 169336416 LEEFVVZQTDQNSU-YVNSSDMTSA-N 388.899 2.582 0 1 GFAF O=C[PH](O)(O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O 169713729 GWKIDTIKJTWNIM-QGZVFWFLSA-N 384.305 2.935 0 1 GFAF O=C(Cc1ccc(OC2COC2)cc1)N=c1ccn(Cc2ccc(F)c(F)c2)[nH]1 1857647057 XRLHIDQMAJVNCG-UHFFFAOYSA-N 399.397 2.590 0 1 GFAF Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1C 6974121 ZKYSJGKANSQDCZ-UHFFFAOYSA-N 375.475 2.940 0 3 GFAF COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@@]1(O)C[C@H]4N(C[C@@H]1C)C[C@H](CC3)[C@]24C 2356447015 JHCADBPJWZOJRG-ZVXAGLMCSA-N 395.455 2.643 0 1 GFAF OCC1=C(Br)C2=N[C@@H](c3ccccc3)C[C@@H](C(F)(F)F)N2N1 100517283 QFWFZPOUUJVCIG-KOLCDFICSA-N 376.176 2.880 0 3 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)CC1CCCC1 61930895 YDIXFSTXVZFSEO-SFHVURJKSA-N 398.912 2.716 0 3 GFAF COc1cc(Cl)c(N)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 29213107 LYYSNLKOMKPMQS-HNNXBMFYSA-N 389.883 2.562 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCC2CCCCC2)n1 2356497303 JXBFJFLNIDUJBR-NMLBUPMWSA-N 375.557 2.844 0 1 GFAF CN1C[C@H](CN2CC(=O)NC2=O)C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c34)C[C@H]21 34800930 USIVMVGFDDEQAZ-MZMPZRCHSA-N 394.519 2.977 0 1 GFAF O=C1c2ccccc2C(=O)N1CC1CCN(Cc2cccc(OCCO)c2)CC1 95785274 XIBVZULVNYKJHQ-UHFFFAOYSA-N 394.471 2.566 0 1 GFAF COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@@H]1C[C@@]4(O)N(C[C@H]1C)C[C@@H](CC3)[C@@]24C 238766155 JDKFCQARUSBNFH-KYSWMXPBSA-N 395.455 2.848 0 1 GFAF Cn1c(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2ccc(O)cc21 149225240 OIEQYSVXVNGAOF-MRXNPFEDSA-N 383.429 2.752 0 1 GFAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)OCC)(C(=O)OCC)C1 587476728 AMBMWCDDLXQVEV-UHFFFAOYSA-N 390.432 2.955 0 1 GFAF COC(=O)[C@H]1OCC(C)(C)[C@]12NC1(CC1)Cc1ccc(Br)cc12 961327733 UKLCLVVCHOTEBA-RDTXWAMCSA-N 380.282 2.921 0 1 GFAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12 1772596078 HOFMUQSGMVVXKD-HNNXBMFYSA-N 398.423 2.770 0 1 GFAF CC(C)(C)NC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N1Cc2ccncc2C1 1772593137 MLOKJJCINCOVFR-QGZVFWFLSA-N 385.512 2.717 0 1 GFAF Cc1ccc(CN2C[C@@H](C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 1857637720 KQZHCJOZHHPHLU-CUWPLCDZSA-N 381.476 2.577 0 1 GFAF CCc1oc(C(=O)NCCc2nc(C(=O)O)cs2)cc1CN1CCCC1 55225092 UYLRWJQJVJXWGF-UHFFFAOYSA-N 377.466 2.565 0 1 GFAF O=c1ccc(-c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)s2)n[nH]1 20574747 HGXJGAIPLVDZBB-CQSZACIVSA-N 387.486 2.854 0 1 GFAF O=C(O)C[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)OCc1ccccc1 64531809 QHSOYTWIQTVWKO-LPQFERQCSA-N 389.429 2.744 0 1 GFAF CO[C@@H](c1ccccc1)c1nnc(CCC(=O)N2CCN(C3CCCC3)CC2)o1 20997522 VQFZVCBQUDMDLX-NRFANRHFSA-N 398.507 2.825 0 3 GFAF CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(F)cc2)n(CCC)c1=O 28874006 QKIXAJBHGXMSDH-UHFFFAOYSA-N 399.470 2.729 0 1 GFAF CC=C(C)C(=O)O[C@H]1C[C@H](C)[C@@]2(OC)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356773867 KZMMOGWSMBTTFY-LUNSWOAPSA-N 392.448 2.546 0 1 GFAF Cc1[nH]nc(C(C)C)c1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1 64539054 CHCNFXZXNLWZAK-UHFFFAOYSA-N 378.484 2.847 0 1 GFAF COc1cc2c(c3oc(C)cc(=O)c13)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 15263886 HIHYKIOZPNTJQD-RBUKOAKNSA-N 390.388 2.817 0 1 GFAF biogenic COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC(=O)NCc1ccccc1 49037608 JIMIUIJOJPLSMN-LICLKQGHSA-N 398.440 2.714 0 1 GFAF C[C@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N=C(N)OCC1(F)F 95601736 FBXUIKJIHZEJMQ-MRXNPFEDSA-N 382.317 2.808 0 1 GFAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CC[C@@H](O)C2)cn1 143297516 JVJIBCPISWGYKC-QGZVFWFLSA-N 379.416 2.831 0 1 GFAF O=C(N[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 253668634 RECDVKIIQHZYPD-QAQDUYKDSA-N 376.453 2.845 0 1 GFAF CCCOc1cccc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)c1 618015192 YOMBQQMRXLBASO-CFLQYTFWSA-N 382.464 2.622 0 1 GFAF NCCOCCNC(=O)c1ccc([C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2O)cc1 263614789 UWDDUVCTGLMPMN-FSSWDIPSSA-N 382.504 2.804 0 1 GFAF in-vitro COC(=O)c1ccnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc12 587233706 AKNTZYSGEOKQBM-UHFFFAOYSA-N 388.424 2.608 0 1 GFAF COC(=O)c1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cn1 587060349 CANYCQVGPPSNJH-UHFFFAOYSA-N 380.795 2.934 0 1 GFAF Brc1ccc(NCCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 586996461 QAKGYZFSXFFACS-UHFFFAOYSA-N 384.241 2.956 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O 587444938 SSSROWCNTLBGOG-LAUBAEHRSA-N 379.412 2.656 0 1 GFAF COc1ccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524263 LCFIELMGNYTJNH-JOCHJYFZSA-N 384.428 2.754 0 1 GFAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cncc(Cl)n2)N1 962720418 TYVJHJNTTMIAMO-ZWNOBZJWSA-N 375.709 2.976 0 1 GFAF CCC[C@H]1Oc2ccc(-c3c(N)nc(N)nc3CC)cc2N(CCCOC)C1=O 14966285 JALXBSVUYLBHDF-QGZVFWFLSA-N 399.495 2.801 0 1 GFAF CC(C)(C(=O)NCc1ccccn1)n1cc(-c2ccc3c(c2)OCCO3)cn1 206056697 DEGBFKZMDHEVET-UHFFFAOYSA-N 378.432 2.768 0 3 GFAF COc1ccc2c(c1)NC(=O)CN2c1nc(OC)nc2cc(OC)c(OC)cc12 1857578386 CGHNPNXVWGGCOW-UHFFFAOYSA-N 396.403 2.754 0 1 GFAF CC(C)Cc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1 1857612661 RJMFKQOQSYEDMC-UHFFFAOYSA-N 384.480 2.930 0 1 GFAF CC1=CC(=O)O[C@H](C[C@H](O)[C@@H]2CSC(=O)N2)C[C@@H](O)CC[C@H](C)C=CCC1 2356427675 JDROCHDFKUSVDQ-QSGXVVIFSA-N 397.537 2.938 0 1 GFAF COC(=O)[C@@H]1CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@H]12 2356460423 UPGSFJFFXVRXIF-LCZULWJPSA-N 384.476 2.920 0 1 GFAF CO[C@]12C=C[C@]3(C[C@@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@@H]2O5 100842417 VAGUZCYSBGOWIA-KTQOEBFUSA-N 395.499 2.528 0 1 GFAF C[C@@H]1CCCN(C(=O)c2ccc(C/N=c3/c(N4CCCCC4)c(O)c3=O)cc2)C1 101636567 CDDLHINDYCJWLH-PWEHGMCJSA-N 395.503 2.591 0 1 GFAF O=C(O)CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2 28818841 RBLLHXYSENQZRS-UHFFFAOYSA-N 395.415 2.567 0 1 GFAF Cc1c(O)n(-c2ccccc2F)c(SCC(=O)Nc2nccs2)nc1=O 101809222 YZDRWDLIEFRFBS-UHFFFAOYSA-N 392.437 2.573 0 3 GFAF OCCN1CCN(C[C@@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1 26660380 YZIDTWIJPIHTCE-TUACAJSNSA-N 378.516 2.815 0 1 GFAF O=C1CC[C@@H](N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)C(=O)N1 26816914 LFNLFMCDLHABBK-GSVOUGTGSA-N 396.013 2.701 0 1 GFAF O=C(NC1CCCC1)[C@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21 28115377 UHDFKZQJFVDYLF-SFHVURJKSA-N 377.448 2.659 0 1 GFAF CN(C)C(=O)Oc1cccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c1 66251330 VFFXVSIUJKVLQP-UHFFFAOYSA-N 381.476 2.634 0 1 GFAF FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1 33822056 DGFBDHCOFRXYQX-UHFFFAOYSA-N 383.374 2.863 0 1 GFAF COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(F)(F)CN2CCCF 40954193 KLLCNDRQWIVTAV-ZDUSSCGKSA-N 392.443 2.758 0 1 GFAF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC(O)CC2)cc1 84616724 OAGNYOPRRVXLNN-UHFFFAOYSA-N 383.473 2.732 0 1 GFAF COc1ccc(C[C@H](OC(=O)/C=C/c2ccc3c(c2)OCC3)C(=O)O)cc1OC 95588207 CFLSNCWXWVSDFJ-FKIZTMCRSA-N 398.411 2.891 0 1 GFAF O=C(c1nc2ccccc2[nH]1)N1CC[C@@H](Oc2nccnc2C2CCOCC2)C1 96168901 GSBHPRFCVYIXFZ-OAHLLOKOSA-N 393.447 2.540 0 1 GFAF CN1[C@H]2CC[C@@H]1CN(c1nccnc1C1CN(c3ccc4ccccc4n3)C1)C2 145775630 GBNBAXXPRKUQES-KDURUIRLSA-N 386.503 2.911 0 1 GFAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@H]3C)C2)cc1 261089829 DHUOTSJELWOUBC-MAODMQOUSA-N 384.524 2.699 0 1 GFAF COc1c2c(oc(=O)c1Br)[C@@](C)(Br)[C@](C)(OC)OC2 66113253 LZWCFWLSHBIOLI-VXGBXAGGSA-N 398.047 2.914 0 1 GFAF biogenic Cc1cc(F)ccc1-n1c(C)nc2ccc(C(=O)c3cnn(C)c3O)cc2c1=O 299833713 IGCTZVIYKUHOST-UHFFFAOYSA-N 392.390 2.812 0 1 GFAF COc1cc2c(cc1O)[C@@H]1Cc3ccc(OCCCO)c(OC)c3CN1CC2 653724722 BTJSYOUOQORWBA-SFHVURJKSA-N 385.460 2.826 0 1 GFAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(F)cnc2[nH]1 586945528 HTCOYJRFUBVXDU-UHFFFAOYSA-N 378.410 2.897 0 1 GFAF O=S(=O)(NCc1nc2ccc(O)cc2[nH]1)c1ccc(Br)s1 586943214 WCYXJCHVTRMWGS-UHFFFAOYSA-N 388.268 2.571 0 1 GFAF NC(=O)N1CCc2sccc2[C@@]12C(=O)Nc1c(F)cc(Br)cc12 962721169 ZENRQACMSOSRNB-OAHLLOKOSA-N 396.241 2.782 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(F)c3)nc(CO)c12 1772589206 UWXLKWRIOZBVAH-MRVPVSSYSA-N 377.351 2.620 0 1 GFAF COc1ccc(-c2cnnc(N3CCC[C@H](C(=O)c4nccn4C)C3)n2)cc1F 12314733 DDBSZMAKQOHHRT-AWEZNQCLSA-N 396.426 2.519 0 1 GFAF C[C@@H](c1ccc(-c2cccc(-c3nnn[nH]3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948261 BCDMNHGZHZHNEL-AGRHKRQWSA-N 394.454 2.535 0 1 GFAF O=C(CSc1ncccn1)NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1 14996235 OQAQLJQAYDXYFD-INIZCTEOSA-N 396.447 2.890 0 1 GFAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13OC[C@@H](C[C@@H]21)[C@@](O)(C(C)C)[C@@H]3O 16971573 HRQUJKIMIXCOBO-ROFZEKHPSA-N 380.525 2.919 0 1 GFAF O=C1N=c2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc2=N1 209670866 XCRQWCADQVODTP-UHFFFAOYSA-N 379.379 2.922 0 1 GFAF CN1CCN(CC(=O)Nc2ccc(Nc3cc(=O)oc4ccccc34)cc2)CC1 1857600982 WEBKCLYCVNPWEM-UHFFFAOYSA-N 392.459 2.723 0 1 GFAF CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCC3(F)F)n2)cn1 203749782 MKAHLUQCHFLGCS-CQSZACIVSA-N 399.449 2.810 0 1 GFAF O=C(O)CC[C@H](C[P@@](=O)(O)Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O 2008724 SVAHMQCUSNJPRX-RXMQYKEDSA-N 390.197 2.718 0 1 GFAF CCN(C(=O)CCS(=O)(=O)c1cccc2nsnc12)c1ccccc1 2457716 FUOQWZMWUPTBLM-UHFFFAOYSA-N 375.475 2.908 0 1 GFAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4038692 RHXVUHHGYPGFGP-BUVFEPMLSA-N 394.519 2.911 0 1 GFAF COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2)CC1 59257444 POGZGXAPKXAXJV-UHFFFAOYSA-N 383.452 2.918 0 1 GFAF Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C(=O)Nc4ccc(F)cc4)nc2-3)c1 103743378 ZHEUGYQUIRGTLL-UHFFFAOYSA-N 392.394 2.523 0 3 GFAF O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2ccc(O)cc2oc1=O 103276746 HJUZVDVNQYJSOC-UHFFFAOYSA-N 378.428 2.893 0 1 GFAF COc1ccc(NC(=O)O[C@@H]2CCC[C@H]([C@H](N)C(=O)N3CCCC3)C2)cc1 27900841 DEGPKUSVWAXQCQ-QGTPRVQTSA-N 375.469 2.752 0 1 GFAF CC(=O)O[C@H]1C=C2C(=O)OC[C@]23C=CC2=C(C(C)=C3C1)[C@H](c1ccoc1)OC2=O 103232779 CLNHUDJDCXWAGO-LNHNDHHWSA-N 394.379 2.865 0 1 GFAF CCCCNCCCCNCCCCNCCCCNCCCCNCC 27419237 RIFXFNNRCXNXEJ-UHFFFAOYSA-N 385.685 2.875 0 1 GFAF CC(=O)S[C@H](C(=O)c1ccc(Cl)cc1)[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O 27314961 DOZOYSPQHWWQPB-HQQWDMGQSA-N 397.880 2.883 0 1 GFAF CCCC[C@]1(CO)C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)[C@@H]1O 25998254 FUENFDZJVVFQJQ-YPHURBNOSA-N 387.520 2.504 0 1 GFAF CCCCC(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)[C@@H]3CO[C@H](CCC(C)C)[C@H](O)[C@H]3C[C@@H]12 2356721768 NUKSXBQXIWCMAT-PZEJAZKFSA-N 394.508 2.695 0 1 GFAF OC[C@H](O)CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28011529 GCSNYHBLOFJHDQ-CBQOVEMMSA-N 388.458 2.512 0 1 GFAF O=c1[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)nn1CC(F)(F)F 43175771 YUUGUGOIYHELIB-UHFFFAOYSA-N 392.316 2.733 0 1 GFAF O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1[C@H]1CCOc2ccccc21 49032034 IYQNSOWQLSAIBF-INIZCTEOSA-N 384.399 2.830 0 1 GFAF COc1ccc(CS(=O)(=O)/C=C/c2cc(OC)c(OC)cc2OC)cc1N 84618286 SKIFCOOTLHOLME-BQYQJAHWSA-N 393.461 2.889 0 1 GFAF CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 147396010 RYISNCRYUSURKV-JNSHFYNHSA-N 382.461 2.786 0 1 GFAF COCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95568452 OWZWTDQWRCAHMI-NQSCKRDGSA-N 384.451 2.839 0 1 GFAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC[C@@H](CO)C1 143330260 YVTKRVLITNHGEM-CWTRNNRKSA-N 377.362 2.920 0 1 GFAF CC(=O)NCC(=O)N1CCC2(CC1)CCN(CCC(C)C)c1ccccc1O2 95597869 ZGTUQTLSLRLHLM-UHFFFAOYSA-N 387.524 2.819 0 1 GFAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 95894266 VPTFOXPNWYLTKZ-AABGKKOBSA-N 394.475 2.987 0 1 GFAF COC(=O)c1ccnc(-c2cn([C@@H]3CCCN(C(=O)c4ccccc4)C3)nn2)c1 473136238 OIXABFWKYOZLGQ-QGZVFWFLSA-N 391.431 2.604 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CN1[C@@H]3C[C@H](O)C[C@H]1C[C@@H]2C3 587591982 XPSAMUALZFJCGG-SOWFBDMDSA-N 393.439 2.710 0 1 GFAF NS(=O)(=O)c1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1Cl 587875402 KWKMFZMXFZBLIQ-UHFFFAOYSA-N 393.783 2.784 0 1 GFAF CN(Cc1nc2cc3c(cc2[nH]1)OCO3)S(=O)(=O)c1ccc(Cl)cc1 586928432 BAUMKEWVXVSSNI-UHFFFAOYSA-N 379.825 2.766 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 586934976 DYGNXJCAXDPBDG-NSHDSACASA-N 397.913 2.731 0 1 GFAF NC(=O)c1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118992 UQSYEIRNXAPBTP-UHFFFAOYSA-N 376.298 2.580 0 1 GFAF COc1c(F)ccc(-c2nc3cc(I)cnc3[nH]2)c1N 587132904 KMTRLVWLQCOKIL-UHFFFAOYSA-N 384.152 2.959 0 1 GFAF COc1ccc([C@]2(C)NCCc3nc4ccccn4c32)c(OC)c1OC(C)=O 962981060 DGGYPIGFQHPPAS-NRFANRHFSA-N 381.432 2.686 0 1 GFAF C[C@H]1C[C@@H](C)C(=O)[C@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963150760 SGBHZNZERNIJLA-OMBQDWCFSA-N 380.466 2.830 0 1 GFAF O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)n3ccnc3)c(F)cc1-2 13652913 LLBWIKDWKSJTFU-UHFFFAOYSA-N 381.388 2.672 0 1 GFAF O=C(NC1CC1)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1 13657255 PCYUEOFMSPOADM-VLIAUNLRSA-N 399.443 2.575 0 3 GFAF Cn1cc(C(=O)c2cncc(NC(=O)CCc3cccnc3)c2)c2cncnc21 169707869 VQIAEBKLQMYPKD-UHFFFAOYSA-N 386.415 2.561 0 1 GFAF Cc1nonc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 169707921 KFBUWWDRHUGSPF-UHFFFAOYSA-N 391.391 2.582 0 1 GFAF COc1cccc(C2=N[C@](C)(CC(=O)Nc3ccc4c(c3)OCO4)ON2C)c1 205212850 ZYDBUKKZOLOWBX-FQEVSTJZSA-N 383.404 2.793 0 3 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)N2CCOCC2)cc1 769653 IHSMNOPFDKLFIV-PKOBYXMFSA-N 385.489 2.765 0 1 GFAF CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCO 4205828 VEWIGYIAPYGLFU-MJGOQNOKSA-N 388.851 2.939 0 1 GFAF CC[C@@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2)N1CCCC(F)(F)C1 101076071 BZGXRUGRHXHQKS-DVLBZAJFSA-N 384.467 2.892 0 1 GFAF COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccc(F)c5ccccc45)C[C@H]3C2)n1 116825157 UQOMQTRAYAAQIV-GJZGRUSLSA-N 392.434 2.986 0 1 GFAF Nc1nc(N)c2nc(CN3c4ccccc4S[C@H]4C=CC=C[C@H]43)cnc2n1 64468822 PIZFEXJPPUNUID-OCCSQVGLSA-N 375.461 2.560 0 1 GFAF CCCNC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccccc2)on1 61907831 OVGNJNRPJUYZJJ-MRXNPFEDSA-N 377.466 2.730 0 3 GFAF CCCO[C@]12[C@@H]3CC(=O)N4c5ccccc5[C@@]5(CCN6CC(=CCO3)[C@H]1C[C@H]65)[C@H]42 2356582532 LXCWOJFHNGQUTF-ZRZDHKFLSA-N 392.499 2.642 0 1 GFAF Cc1cc2c(cc1C)[C@@]13CCN(C)CC4=CCO[C@@H]5CC(=O)N2[C@@H]1[C@H]5[C@H]4CC3=O 2356618088 FLBVMURVUYAZMG-KBEAJZRGSA-N 392.499 2.526 0 1 GFAF Cc1cc(=O)oc2c(C)c(OCC(=O)NCC3CCC(C(=O)O)CC3)ccc12 2125451 IYECSNOPLWSURQ-UHFFFAOYSA-N 387.432 2.796 0 3 GFAF biogenic Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)c1 211040881 BCKKTEZAIGOQBN-UHFFFAOYSA-N 385.475 2.986 0 1 GFAF COCCOc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 73164334 LTIBUVNAKXWUAU-UHFFFAOYSA-N 384.480 2.975 0 1 GFAF O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccc(F)cc2N1c1ccccc1F 72120643 DKFCBQMDHKALKE-CQSZACIVSA-N 395.431 2.546 0 1 GFAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNC[C@H](F)c2cccc(F)c2)c1 49054905 NOLWAWWUERSXHH-FFZOFVMBSA-N 390.478 2.559 0 1 GFAF Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)C2C(N)=NC(=O)N=C2N)cc1 49744770 WQYUNOPGJPUGOV-INIZCTEOSA-N 390.443 2.840 0 1 GFAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC(C)=O)c3)O2)cc1 45244944 KXDPUPNPQSLVFI-HXUWFJFHSA-N 384.388 2.868 0 1 GFAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)n1 220699687 NZUVLJSYHHTOEL-XHDPSFHLSA-N 382.424 2.801 0 1 GFAF O=C(Nc1ccccc1)c1cccc(Oc2cncc(NCCOCCO)n2)c1 82068537 WRDBUBVVIGPNNL-UHFFFAOYSA-N 394.431 2.942 0 1 GFAF C[C@H]1C[C@]2(CCN1Cc1ccccc1)CNS(=O)(=O)N2c1cccc(F)c1 95577942 JTQJHALTNLOPJB-OXJNMPFZSA-N 389.496 2.903 0 1 GFAF O=C(Cn1cnc2ccc(Cl)cc2c1=O)NCc1nc2ccccc2s1 299828809 WXPKNLKFAIVJSZ-UHFFFAOYSA-N 384.848 2.976 0 1 GFAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cnc(Cl)[nH]c-2n1 586952692 FVSZAWRGWXMPDM-UHFFFAOYSA-N 392.853 2.882 0 1 GFAF COc1ccccc1[C@]1(CNC(C)C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963474897 XQHVCZUYZGQKJX-AVRDEDQJSA-N 384.476 2.550 0 1 GFAF Cc1cc(C(=O)Nc2csc([C@@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)on1 1772611568 GBCMWKCOVLVKAA-XQJJYNOISA-N 393.494 2.583 0 1 GFAF COCCCNC(=O)C[S@@](=O)Cc1nc(-c2cccc(Cl)c2)oc1C 5057868 MDCUNCVUWAGMJT-RUZDIDTESA-N 384.885 2.705 0 1 GFAF O=C(O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)/C=C/c1ccccc1 13446718 UVMYFKQUJSEVSG-SGWGQVFISA-N 387.439 2.983 0 1 GFAF O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccc[nH]1 13589862 CSHQPNGWOLZNDR-GOSISDBHSA-N 377.400 2.693 0 1 GFAF COc1ccc2c(=O)n(Cc3nc4ccccc4s3)nc(CC(=O)O)c2c1 13860798 GAABTUJRXYWNFC-UHFFFAOYSA-N 381.413 2.690 0 1 GFAF CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc1 13905994 JDTLFLIPZWUVRK-OAHLLOKOSA-N 396.431 2.749 0 1 GFAF Cc1cc(COc2ccc(C3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 13980708 QKXIBRKQCXPSEK-UHFFFAOYSA-N 389.411 2.746 0 1 GFAF NC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1 14949232 SVPVCRMOALGQKQ-UHFFFAOYSA-N 375.432 2.642 0 1 GFAF O=C(NCCCCN1CCN(c2ccccn2)CC1)c1ccc2ccccc2n1 200056527 YDUOGPTWZPFZHX-UHFFFAOYSA-N 389.503 2.962 0 1 GFAF COc1cc(Cl)ccc1OC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 207299281 YBHHRLALVLWHFL-UHFFFAOYSA-N 399.900 2.921 0 1 GFAF O[C@@H]1CC[C@H](Cc2cc(-c3ccccc3)on2)O[C@H]1CNCc1cccnc1 2356407214 SMIWJKGOKVPEJR-SJBKTWHCSA-N 379.460 2.977 0 1 GFAF CC(C)NC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)on1 61926975 GFFQDACEQVLBMC-INIZCTEOSA-N 377.466 2.729 0 3 GFAF CC(=O)OCCCCCCCCCC[C@@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1 2356792155 JJSYSSRCBRHORK-KXBFYZLASA-N 386.441 2.922 0 1 GFAF CCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccccc2)c1=O 45356915 TYJIRYPLRGHCOH-UHFFFAOYSA-N 396.397 2.824 0 1 GFAF O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CNCCN1C(=O)c1ccccc1 45324780 LJWXVEGEPOYFGY-QGZVFWFLSA-N 392.286 2.724 0 1 GFAF CCCCCc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O 142898417 PXLDABOJDRUBRB-GOSISDBHSA-N 384.476 2.993 0 1 GFAF OC[C@@H]1[C@H](c2ccccc2)C2(CN(Cc3nccs3)C2)N1CC1CCOCC1 95796250 CLNVEMGQHOOMFT-CTNGQTDRSA-N 399.560 2.584 0 1 GFAF CC(=O)O[C@@H]1C(=O)[C@@H](C)[C@]2(CC[C@@]3(CO[C@@H](O)C3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 238778455 WYYAQYOZQLIYRP-IYANZZNRSA-N 394.508 2.996 0 1 GFAF COc1ccc(C[C@@H]2CCn3nncc3COC[C@@H](CC(C)C)NC2=O)cc1 95662699 DFMXELOUOUTAGW-ZWKOTPCHSA-N 386.496 2.597 0 1 GFAF COc1ccc([C@]23OC[C@@]24[C@@H](Cc2cc(OC)c(OC)cc23)[C@H]4CO)cc1OC 253634667 IJIWCXXEKDKLBN-VQDLLJBESA-N 398.455 2.776 0 1 GFAF CN(CCc1cnn(-c2nccc3c(O)ncnc23)c1)Cc1ccc(F)cc1 263620798 NLGUSOLKPNWPKR-UHFFFAOYSA-N 378.411 2.730 0 1 GFAF in-vitro N[C@H](CNC1CCCCCC1)[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 653899341 CCYMPAKREBKHRA-WMZOPIPTSA-N 382.441 2.798 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C[C@@H](N)C(=O)O)(c1ccccc1N)CC2=O 587468398 GBHOWSBQWLTUBA-IERDGZPVSA-N 384.432 2.590 0 1 GFAF COC(=O)c1cc(OC)n(-c2cc3cnccc3c(Br)n2)c1OC 587940072 IZWSEDOOZRYVDT-UHFFFAOYSA-N 392.209 2.987 0 1 GFAF CCN(c1ccc(-c2csc([C@H](C)Cn3cncn3)n2)cc1)S(C)(=O)=O 587923484 SHJCQVMKQNXCCF-CYBMUJFWSA-N 391.522 2.991 0 1 GFAF N=c1[nH]ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 586947218 ZEZKUBHEHXWSNY-UHFFFAOYSA-N 391.503 2.639 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)c(S(N)(=O)=O)c1)O2 587408861 JHTYVFVESVFYMO-KRWDZBQOSA-N 380.853 2.759 0 1 GFAF COc1ccc(C(=O)Cn2cc[n+](Cc3c4c(cc5c3OCC5)OCC4)c2)cc1 1772632896 PXEISCBWUFKYGD-UHFFFAOYSA-N 391.447 2.585 0 1 GFAF C[C@H]1CN(CC2CCCCC2)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 1772642507 ZSUJPDOSWCXSCU-MAUKXSAKSA-N 399.539 2.927 0 1 GFAF CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 5835188 IYNANDLXMWZGBU-UHFFFAOYSA-N 378.480 2.928 0 1 GFAF N=C(N)c1cc2[nH]c(-c3cccc(OC[C@H]4CCCNC4)c3O)nc2cc1F 12354938 TYKNBRGVFCIVAT-NSHDSACASA-N 383.427 2.737 0 1 GFAF O=C(NCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 13441914 AZVJTFOEUQTRNO-FQEVSTJZSA-N 386.517 2.730 0 1 GFAF CC(=O)N1CCN(C(=S)Nc2sc3c(c2C(=O)OC(C)C)CCC3)CC1 1857586159 DACNEBYCIXNFMS-UHFFFAOYSA-N 395.550 2.663 0 1 GFAF CCC[C@@]1(C)CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CCO1 1857588359 BPXBDHFZVCGCAK-JXFKEZNVSA-N 393.459 2.682 0 1 GFAF CCN(Cc1ccccc1)C(=O)c1cnn(-c2nc(O)c3c(n2)CCC3)c1C 1857588631 FZNMCUDAGVZVJK-UHFFFAOYSA-N 377.448 2.827 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N2CCOCC2)cc1 4044902 GZTJVVUJMJKBOO-TZIWHRDSSA-N 379.460 2.703 0 1 GFAF COc1cc2c(cc1OC)-c1c/c(=N\c3c(F)cccc3F)n(C)c(=O)n1CC2 53228361 QSNLKFSOZYFJTK-LYBHJNIJSA-N 399.397 2.938 0 1 GFAF CC(=O)O[C@H]1C[C@H]2C(=O)O[C@H](c3ccoc3)C[C@]2(C)[C@H]2C[C@@H]3C[C@H](C(=O)O3)[C@H]12 104366296 DYSOIAQEKRDXRB-SCQDMMHESA-N 388.416 2.793 0 1 GFAF in-man COc1ccc2cc(-c3nn(CC4CCN(C)CC4)c(N)c3C(N)=O)ccc2c1 103251512 BLUGXYZMSPGIAA-UHFFFAOYSA-N 393.491 2.735 0 1 GFAF COc1cccc(CNC(=O)NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 28462637 WOMLLLMSIOPHCS-UHFFFAOYSA-N 397.475 2.888 0 1 GFAF C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 31357256 JNTNUSUPTSNMNJ-AGASROOCSA-N 388.504 2.783 0 1 GFAF COc1cc2c(cc1OC)C(=Cc1ccc(OC)c(OC)c1O)N(C=O)CC2 14676810 YYHGQOLZRYICRS-UHFFFAOYSA-N 385.416 2.939 0 1 GFAF biogenic O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(Cl)s2)C12CC2 49114257 IDEVZAXGGOQXOI-ZDUSSCGKSA-N 383.882 2.996 0 1 GFAF O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 82205748 QUYZPSNKBBMXPH-IAGOWNOFSA-N 393.447 2.568 0 1 GFAF COC(=O)c1cc(OC)c(OC)c(-c2cc(C(=O)OC)cc(OC)c2OC)c1 238777216 CVBRPEOTDQRRQP-UHFFFAOYSA-N 390.388 2.961 0 1 GFAF CNC[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C 95678957 VMUIUYUBOUUZSN-GSHUGGBRSA-N 382.504 2.931 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CCCC3)C23CN(C(=O)COC)C3)cc1 95667548 PLQDIVOQAJECQW-CERDHAPXSA-N 398.547 2.897 0 1 GFAF CCN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847957 WHNGMNTZKOCTSB-HUUCEWRRSA-N 377.876 2.760 0 1 GFAF Nc1ccn2c1[C@]1(CNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332407 ACOWEDXPQXHPBL-WIYYLYMNSA-N 379.391 2.730 0 1 GFAF COC(=O)[C@@H]1N2CCC(CC2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587788998 BCJJNHQNDUSNNB-MENVHETRSA-N 397.288 2.585 0 1 GFAF O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H]1C(=O)O 587970497 INIVPAWUVZSNOW-WHUPJOBBSA-N 393.115 2.843 0 1 GFAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 5764362 FLMSQRUGSHIKCT-DDZQJACLSA-N 390.520 2.575 0 1 GFAF in-vitro NS(=O)(=O)Oc1ccc2c(c1)C(=O)C[C@@H](C13CC4CC(CC(C4)C1)C3)O2 13491347 OJPMHVDRKLRGSZ-PDPDEEBBSA-N 377.462 2.819 0 1 GFAF NC(=S)c1cccc(-c2cn(C[C@H]3C[C@H](O)[C@H](O)C3)c3cc(CO)ccc23)c1 1857613551 ONJMAZJWYVLYJH-BSAJOYCQSA-N 396.512 2.567 0 1 GFAF N[C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=NC(=O)c4ccccc4)c3c2)C1 1857636283 IGNWRSHPCXAJBO-CABCVRRESA-N 377.448 2.693 0 1 GFAF CCOC(=O)c1cc([C@]2(O)CCN(C[C@@H](C)CC)C2=O)c(-c2cc(C)no2)[nH]1 1653951 CNOKFXLSLBHYKD-FKIZINRSSA-N 389.452 2.621 0 1 GFAF O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4049737 YECZYMVOMYFBFZ-IRLDBZIGSA-N 391.471 2.907 0 1 GFAF COc1ccc(-c2cn3nc(SCC(=O)NC[C@H]4CCCO4)ccc3n2)cc1 4251273 JPCSYHPZYQIDIP-MRXNPFEDSA-N 398.488 2.792 0 3 GFAF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2cccc(OC)c2)CC[C@]1(C)O 2356289682 XTCWWAGIZYHYJO-ZLNRFVROSA-N 398.503 2.524 0 1 GFAF O=C(c1ccccn1)N1CCN2C(=O)c3ccncc3[C@@]12c1ccc(Cl)cc1 115091318 TTWIJRFTOMRLHU-OAQYLSRUSA-N 390.830 2.943 0 1 GFAF CC(C)(C)c1nc2cc(S(=O)(=O)CCO)ccc2n1CC1CCOCC1 29046434 IAFDLAKGZMHPGB-UHFFFAOYSA-N 380.510 2.526 0 1 GFAF CCC(C)(C)C(=O)Nc1cc2c(c(S(=O)(=O)N3CCOCC3)c1)CCCC2 45372893 HTFLUZNOSRBKDY-UHFFFAOYSA-N 394.537 2.961 0 1 GFAF O=C(CNc1ccccc1F)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49070735 NHGFAEWOFVXSPQ-UHFFFAOYSA-N 381.455 2.848 0 1 GFAF OCC1CCN(c2nccnc2NC2CN(c3ccc4ccccc4n3)C2)CC1 146296397 ARTLREOXVDAJBM-UHFFFAOYSA-N 390.491 2.534 0 1 GFAF C/C=C1\CN(C)[C@H]2Cc3c(n(C)c4cc(OC)ccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 238763091 SCEZUKWTQWFYLN-XXOXZNIJSA-N 396.487 2.982 0 1 GFAF CC(C)(C)NC[C@@H](O)COc1ccc(OS(=O)(=O)O)cc1C1CCCC1 31706621 YGAFVZDVNJYOCT-CQSZACIVSA-N 387.498 2.654 0 1 GFAF biogenic Cc1csc([C@](O)(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)C(F)(F)F)n1 587094940 WRSFCLZVJRSILN-CQSZACIVSA-N 383.355 2.902 0 1 GFAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)C1CCCC1 587225307 KGNCHJBTTBMOGP-HNNXBMFYSA-N 394.497 2.966 0 1 GFAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1-c1cccc(Br)c1 587367337 WDMFPGIGXLPPQI-UHFFFAOYSA-N 399.208 2.755 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1N(S(C)(=O)=O)CC4)[C@@H](C2)C3=O 587451542 ZFEAPTMLOFJTMJ-YWZLYKJASA-N 385.441 2.506 0 1 GFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 586941320 RXWCAWBWJAOORT-GFOMBABLSA-N 385.449 2.685 0 1 GFAF COc1ccc2c(c1OC)[C@](C)(c1ccccc1OCC(N)=O)N(C)[C@H](C)C2 962635297 RIBGTOXAQNYHKA-PEBXRYMYSA-N 384.476 2.708 0 1 GFAF C[C@]1(c2cn(Cc3ccccc3)nn2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229784 QAATYNRATZGMND-OFNKIYASSA-N 399.454 2.737 0 1 GFAF CCOC(=O)CCC[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963491959 OKZBBPNJQRIGBI-GUYCJALGSA-N 389.370 2.791 0 1 GFAF C[C@]1(NC(=O)c2cc(Cc3ccccc3)on2)COc2ccccc2NC1=O 1772571930 KBCHZCAGZMGNKY-NRFANRHFSA-N 377.400 2.785 0 1 GFAF COc1cc2nc(C[C@@H](O)c3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC 5503112 UKACQCIHNUQGLS-CQSZACIVSA-N 398.419 2.750 0 1 GFAF CS(=O)(=O)N(C[C@@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)C1CC1 148223362 LLQHRNDLBMDQHR-HNNXBMFYSA-N 394.443 2.858 0 1 GFAF CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2[C@@H](C)CCC[C@H]2C)C1=O 3958722 LUAXMFDQDVMEOQ-ZIFCJYIRSA-N 387.524 2.878 0 3 GFAF CCc1ccccc1NC(=O)CN1C(=O)CCn2nc(-c3cccn3C)cc21 8609454 PKJDLUQOHQGXPK-UHFFFAOYSA-N 377.448 2.826 0 1 GFAF COc1ccc(-c2nnc(NC(=S)NC(=O)COc3cccc(C)c3)o2)cc1 103166894 SKPVNVHXRAQQFE-UHFFFAOYSA-N 398.444 2.946 0 1 GFAF CCCOc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 28005335 CJRXCVZFRUKNKT-MRXNPFEDSA-N 381.392 2.753 0 1 GFAF CC[C@@H](C(=O)OC)c1cc(=O)n2c(c1C(=O)OC)[C@H]1Cc3ccccc3C[C@@H]1C2 27420264 XYBNRRYKRHDDET-ZACQAIPSSA-N 395.455 2.814 0 1 GFAF CCOC(=O)[C@@]1(N)N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc21 27727784 PZDSBZVHFZPPCC-FQEVSTJZSA-N 395.850 2.755 0 1 GFAF O=C1NCCN1CCN1CCN([C@@H]2C[C@H](c3ccccc3)c3ccccc32)CC1 26378845 VYMYVEYPDIKLSJ-DHIUTWEWSA-N 390.531 2.906 0 1 GFAF O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)c2ccccc2)on1 61908428 FGDAZKVTZICWBW-LJQANCHMSA-N 391.427 2.818 0 3 GFAF COc1cc([C@@H]2CC(=O)c3c(cc(OC)c(OC)c3O)O2)cc(O)c1OC 14436424 ABIJRPKPVBZTCW-LBPRGKRZSA-N 376.361 2.839 0 1 GFAF biogenic Cc1ccc(N2CCC(CCOc3ccc(S(C)(=O)=O)cc3)CC2)nn1 72127593 PLGHARUUAPKQET-UHFFFAOYSA-N 375.494 2.874 0 1 GFAF C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@H](C)C(=O)N1CCN(C)CC1)CC2 20504602 KKGYPARBZLTFDD-DKZVUGQWSA-N 386.536 2.874 0 1 GFAF biogenic O=c1[nH]c2ncc(-c3ccc(-c4cnc[nH]4)cc3)nc2n1CC1CCOCC1 82150769 KIRZMVRUIYRWFN-UHFFFAOYSA-N 376.420 2.603 0 1 GFAF CC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C1CCCC1 95895239 PDWWKLBSTQAXPL-ZLNRFVROSA-N 379.504 2.956 0 1 GFAF Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)o1 142911598 JFJQSOXFJBIMOJ-KRWDZBQOSA-N 394.427 2.829 0 1 GFAF Nc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175516 FNNHQAJFUIQHHJ-UHFFFAOYSA-N 386.419 2.618 0 1 GFAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 587121438 DMBWASDOWDXCSE-UHFFFAOYSA-N 376.298 2.893 0 1 GFAF O=S(=O)(CCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc2c(c1)CCC2 586920560 MRFKESGQVPDYCK-UHFFFAOYSA-N 396.394 2.828 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 586953415 UDXXIZTUJQNKGZ-UHFFFAOYSA-N 391.472 2.886 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CCN(CC)C[C@@H]1C(=O)OCC)CC2=O 587475914 NPIGJTAOVPFWRB-IIBYNOLFSA-N 375.465 2.954 0 1 GFAF CCc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c2c1 586938877 ZBEGINSVQDZORZ-XIKOKIGWSA-N 389.477 2.534 0 1 GFAF CN1CCN(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587592683 IOEFRXSELHVQIJ-KNQAVFIVSA-N 382.460 2.750 0 1 GFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 586940928 KSOJUYKHANOUOR-SREVYHEPSA-N 389.408 2.799 0 1 GFAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)ccc1OC(=O)C1CC1 963508752 MFTROMNEJURVQV-MGPUTAFESA-N 397.427 2.713 0 1 GFAF COC(=O)c1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1OC 963232581 OPSFCCXYKWZNDJ-RTBURBONSA-N 392.411 2.718 0 1 GFAF CC(=O)[C@H](C)N(CC(F)(F)F)C1=C[C@@H]2C(C(F)(F)F)=CC(=O)N[C@@H]2C=C1 169362770 FZELBRBDZPJUMZ-RLCGTCKNSA-N 382.304 2.885 0 1 GFAF CN(CCN(C)c1cnccn1)C[C@@H](NCc1ccccn1)c1ccc(F)cc1 1857544562 APHMJYSANZQSPT-OAQYLSRUSA-N 394.498 2.910 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4043625 PIFWXBWASJVRLX-XODKDNOYSA-N 397.475 2.857 0 1 GFAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc(F)cc3F)CC1)C2 117363729 KCTRCOAVSQQBQD-UHFFFAOYSA-N 385.414 2.684 0 1 GFAF CN(C)CC(=O)Nc1ccc(-c2nc(=O)n(C)c3c2oc2ccccc23)cc1 103135379 IWRGRPCYJKYMGL-UHFFFAOYSA-N 376.416 2.847 0 1 GFAF COc1cc(COC[C@@H](c2ccccc2)N2CCNCC2)cc(OC)c1OC 22926804 XZQROZSCHKOGLE-IBGZPJMESA-N 386.492 2.876 0 1 GFAF COc1ccccc1CN1Cc2c(nc3cc(-c4ccco4)nn3c2O)C1=O 29128239 ZPQUDBQYQCNVOD-UHFFFAOYSA-N 376.372 2.860 0 1 GFAF C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 102422860 QYFXCDCMMOGUKW-NHIYQJMISA-N 392.883 2.554 0 1 GFAF COc1ccc2nc(C[C@H]3CN(C4CCOCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356303398 TXSMETWKTDDGMS-CABCVRRESA-N 387.480 2.706 0 1 GFAF C[C@H](C(=O)NCC1CC1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21 28824904 MPZATXFDQOSKQF-VLIAUNLRSA-N 391.471 2.650 0 1 GFAF COc1cc(C=CC(=O)N[C@@H](OC)C(=O)c2c[nH]c3ccc(O)cc23)ccc1O 2356579326 YGUUQJJEKRPTAT-NRFANRHFSA-N 396.399 2.573 0 1 GFAF COc1cc2oc(-c3c(O)cc(O)c(OC)c3OC)cc(=O)c2c(O)c1OC 15271540 QOYVOTWLPFJZOC-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic CC[C@]12CCCN3CCc4c(n(c5cc(OC)ccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 14829327 QMSXPSURJTUZMP-HJNYFJLDSA-N 384.476 2.961 0 1 GFAF biogenic CC(C)NC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O 49034996 ZLLRZVQIIORCDV-KRWDZBQOSA-N 375.494 2.639 0 1 GFAF O=c1ccnc2ccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cn12 84758533 ZLLSMIOKPQAISK-UHFFFAOYSA-N 396.520 2.668 0 1 GFAF NS(=O)(=O)c1ccc(NC(=S)NC(=O)Nc2ccc(Cl)cc2)cc1 473127409 BOMPSBOBJSGLAG-UHFFFAOYSA-N 384.870 2.506 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Cl)cc3[nH]2)[C@H](C)O)cc1 586935266 CZPCUAFSIPRIBH-QFYYESIMSA-N 395.868 2.625 0 1 GFAF COc1ccc(-c2nc3cccc(C(N)=O)c3[nH]2)c(I)c1 587179951 JZRCZSVSCUKKRR-UHFFFAOYSA-N 393.184 2.942 0 1 GFAF COC1=COC(C(=O)O)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587832864 LHBWLKITEUREEI-VPTHRUTESA-N 384.201 2.804 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587788887 AMONDIZAWIBCQW-KRTXAFLBSA-N 398.232 2.817 0 1 GFAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCCC(=O)O)C[C@H]2[C@H](O)/C=C/C(=O)O1 169345723 HXHHXTKXCWAIQQ-OSCBLGBGSA-N 394.464 2.768 0 1 GFAF COc1cc(O)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204150887 OGIVRWCGCBWJHX-UHFFFAOYSA-N 390.447 2.841 0 1 GFAF Cc1nc(NC[C@@H]2CCCO2)c2nnn(Cc3c(F)cccc3Cl)c2n1 1338273 MTFGPNSPPLEHTJ-NSHDSACASA-N 376.823 2.961 0 3 GFAF COc1ccc2c(c1OC)C(=O)N/C2=C\c1cc2c(cc1CCN(C)C)OCO2 1846545 ZMAHFZSTFDAVRW-SXGWCWSVSA-N 396.443 2.778 0 1 GFAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCO 4054915 MSGGVNBZGSUEPZ-HKUYNNGSSA-N 388.851 2.939 0 1 GFAF COCc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247054 ZYEQYALBYLQBMW-YSPLYIDXSA-N 392.521 2.810 0 1 GFAF COc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110652209 MECPUUIBKLQCNP-GJZGRUSLSA-N 397.412 2.604 0 1 GFAF CCN(Cc1cccnc1)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F 27410275 IFZUFRUQXIGDJN-KRWDZBQOSA-N 386.427 2.709 0 1 GFAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)[C@@H]1Cc2ccccc2N1 26375541 OAJOQLLFRSQRTN-UNMCSNQZSA-N 396.450 2.955 0 1 GFAF Cc1cc(C)n([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NCc3ccc(Cl)c(Cl)c3)[C@@H]2O)n1 2356755909 CKHMMHGQRPANNG-ZBRFXRBCSA-N 398.290 2.622 0 1 GFAF CN(C)CCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1Br 42921108 KEIQOYLTHANCMC-UHFFFAOYSA-N 380.286 2.690 0 1 GFAF COCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C 45321169 BFQDIJBCDAWTPG-UHFFFAOYSA-N 399.495 2.849 0 1 GFAF COc1cc(N2CC(NC(=O)c3ccc4nc(C)n(C)c4c3)C2)c(Cl)cn1 1911584145 MKWOQGHIKGKXBG-UHFFFAOYSA-N 385.855 2.557 0 1 GFAF c1ccc(Nc2nc(NC3Cc4ccccc4C3)nc(N3CCNCC3)n2)cc1 45301107 GVXHNUYTJSQAGV-UHFFFAOYSA-N 387.491 2.604 0 1 GFAF O=c1[nH]c2ccc(N3CCC(O)CC3)nc2nc1CSCc1ccccc1 82231532 WACXIMGPCHSGIW-UHFFFAOYSA-N 382.489 2.713 0 1 GFAF CCCc1cnc(SCC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc1 84632724 SOJYJLVMBOFVRW-UHFFFAOYSA-N 385.898 2.705 0 1 GFAF CC[C@]12C=CCN3CCc4c(n(c5cc(OC)ccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 197382199 HTWQPFKEAAOZFQ-HJNYFJLDSA-N 382.460 2.737 0 1 GFAF Cc1c(OCc2ccccn2)ccc2c(=O)n(Cc3ccccn3)c(=O)oc12 95559882 JQBKYECHWBYJGC-UHFFFAOYSA-N 375.384 2.680 0 1 GFAF CC(C)NC(=O)N[C@@H]1CCN2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C1 25189077 SKWXFFIACRZXLD-OCCSQVGLSA-N 398.385 2.713 0 1 GFAF biogenic C[C@](CC1CC1)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O 146275090 ZULXETDPENFKSY-QGZVFWFLSA-N 385.386 2.674 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 95795731 QPXWAONWWYNYJO-AYOLTGABSA-N 394.446 2.670 0 1 GFAF CC(=O)Oc1cc2c(cc1C(CO)CO)CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C 238783380 RFZYDRDAPXBEPG-FCEUIQTBSA-N 390.476 2.775 0 1 GFAF COCCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 95553584 JPEZXBCEWYKFBS-KRWDZBQOSA-N 396.495 2.970 0 1 GFAF CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2ccc(F)cc2F)CC1 299821431 MELJGOLOOISDFL-HAQNSBGRSA-N 378.379 2.628 0 1 GFAF COC(=O)[C@]1([C@@H]2CCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811241 VZLMMDHRDGZLHC-VKHBWIJISA-N 384.245 2.860 0 1 GFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799118 WHDWIBSTQPQBIB-GADSUEIZSA-N 397.288 2.821 0 1 GFAF N=c1nc(O)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2[nH]1 587080345 CBOSECJIYUHBAV-UHFFFAOYSA-N 378.783 2.501 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(Br)cc1O)O2 587377622 OEZPTYJCWKGNRS-KRWDZBQOSA-N 392.205 2.991 0 1 GFAF O=c1c(-c2nc3ncncc3[nH]2)cc(Br)cn1Cc1ccccc1 587005952 BKEKXFRRWPUCIY-UHFFFAOYSA-N 382.221 2.992 0 1 GFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)c(F)c2[nH]1 587204316 PHQUXGBJITZNOM-JTQLQIEISA-N 385.237 2.543 0 1 GFAF Cc1c(Br)ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 587202411 DNJUOSZSBOUVCB-LBPRGKRZSA-N 381.274 2.713 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 586947131 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O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Oc1cccc2cccnc12 169309613 JNZQRBWGCFZPOE-VMGHMQSFSA-N 388.423 2.583 0 1 GFAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1C(OC)OC 169721211 BSXTWOPWXFSUSL-CVEARBPZSA-N 389.448 2.850 0 1 GFAF CCOc1ccc(-n2cc(COc3ccc(OCC(=O)O)c(F)c3)nn2)cc1 1857605025 JKSZZEFHFYZYCB-UHFFFAOYSA-N 387.367 2.848 0 1 GFAF CNCCN[C@@H]1CC[C@@]23C[C@@]4(CCC[C@H]14)[C@H]2[C@@H](O)C[C@@]1(C)CCC[C@@]3(O)C1 2356351741 FHKHPLRWVFJOBM-TYTCJDMUSA-N 376.585 2.827 0 1 GFAF CC(=O)O[C@]1(CO)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@](C)(CO)[C@H](O)CC[C@]13C 2356389217 MJSCOVOZOSAIGP-AHGXHYECSA-N 380.525 2.657 0 1 GFAF COc1ccc(C(=O)NCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1OC 4668251 FDEZWAOXVFCNTJ-GOSISDBHSA-N 398.459 2.543 0 1 GFAF CCOc1ccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3)CC2)cc1 4908602 LZTAANIRMCBXJI-UHFFFAOYSA-N 395.503 2.596 0 3 GFAF CO[C@H]1O[C@@H](OC)[C@]2(O)CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]12O 2356391692 ZREXTCZRHMQYKD-JEHUSIAASA-N 396.524 2.646 0 1 GFAF CCN(CC)CCNC(=O)c1cc2cc([125I])ccc2[nH]1 102236664 JTMKNYLXVAZTIN-RFLHHMENSA-N 383.250 2.844 0 1 GFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(Cl)c2)n1 2356288357 BNYJALUBFSZOSP-MTQWCTHYSA-N 389.927 2.944 0 1 GFAF C[C@@H]1[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 105518555 OFUMSTVCETVCLF-NBQKENEESA-N 397.427 2.963 0 3 GFAF N[C@@H](Cc1c[nH]cn1)C(=O)Cc1ccc(Br)c(Br)c1 26182970 RDNGRPJZLPVXPE-LBPRGKRZSA-N 387.075 2.616 0 1 GFAF C[C@@H]1CCCCN1CCCNC(=O)Cn1ncc2c3ccccc3nc-2c1O 102864309 QVXVPSFAAXIIDI-OAHLLOKOSA-N 381.480 2.622 0 1 GFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NC(=O)c2cc(C)oc2C(F)(F)F)cc1 2356747988 LOMFLLWORWOMHY-ARLBYUKCSA-N 399.365 2.623 0 1 GFAF Nc1cccc(-c2cccn([C@H](CN3CC[C@H](O)C3)c3ccccc3)c2=O)c1 36190501 ZHNRRDSELDXVDH-RBBKRZOGSA-N 375.472 2.754 0 1 GFAF CN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccccn1 95895928 MLEVJUJKNGZEEI-BHIFYINESA-N 377.488 2.837 0 1 GFAF C[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@]23OC(=O)C[C@@]12C[C@]1(O)OC[C@@]3(C)[C@H]1C 238786320 KDOWKKIVVPYLEG-RVMTVNOPSA-N 386.444 2.689 0 1 GFAF COc1cc(=O)oc(/C=C/C=C/C=C/C=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)c1C 238740582 BXUGQFINZUXAKN-RLRKHPKUSA-N 388.460 2.928 0 1 GFAF COC(=O)c1cncc2c1C[C@H](OC(=O)C1=CN[C@@H](C)c3cnccc31)[C@@H]2C 34171303 VPKQJEIHIRHOKN-UFYHVXEKSA-N 379.416 2.540 0 1 GFAF biogenic COc1cc(Br)c([C@H](N)c2nc3c(Cl)ncnc3[nH]2)cc1OC 586974928 HFECVHHUTULVKY-JTQLQIEISA-N 398.648 2.834 0 1 GFAF COC(=O)[C@@H]1C[C@@]2(CCN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587762801 UTZWKLWNHNRRAY-ANTHHZPCSA-N 385.277 2.585 0 1 GFAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c[nH]c(=N)[nH]c-4n3)cc2)cc1F 587147230 HKENOXJLWLSASW-UHFFFAOYSA-N 390.422 2.864 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCS4(=O)=O)cc1)[C@@H](C2)C3=O 587450480 GYFMHWKIQXCBDT-LAUBAEHRSA-N 399.468 2.898 0 1 GFAF O=C1c2ccc(O)cc2O[C@]2(CCCS(=O)(=O)C2)[C@H]1c1ccc(F)cc1 587374450 KJEJBEXDOJGUOF-HKUYNNGSSA-N 376.405 2.838 0 1 GFAF OC[C@H](O)CN1CC=C(c2[nH]c3nccc4c3c2COc2ccc(F)cc2-4)CC1 1772581794 QDXBUYHGMFTIMD-OAHLLOKOSA-N 395.434 2.704 0 1 GFAF C[S@@](=O)(=NC#N)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 1772637404 SKVLYFDLKSNGSZ-NDEPHWFRSA-N 392.444 2.916 0 1 GFAF CN(C)C[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 5848748 VWXSNQMSAGBLPD-LLVKDONJSA-N 391.418 2.701 0 1 GFAF Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCO)sc21 13672773 JTEHSDMIAHYEAZ-UHFFFAOYSA-N 376.865 2.718 0 1 GFAF CS(=O)(=O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1 13743207 YZZFDPDWVRCWQB-UHFFFAOYSA-N 379.445 2.831 0 1 GFAF Cc1cc(N)nc(CCc2cccc([C@H](CN)Cc3cc(C)cc(N)n3)n2)c1 169333441 HDTLSUGSWFASAI-INIZCTEOSA-N 376.508 2.723 0 1 GFAF C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)CCN1 206855657 QRILDYVZZITLEI-MRXNPFEDSA-N 396.510 2.729 0 1 GFAF CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccn2)CC1 204964730 MEYDUJYQCOBMCG-UHFFFAOYSA-N 387.505 2.531 0 1 GFAF O[C@@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC[C@H]1F 205262784 GXVPBDZWUHCKCZ-DNVCBOLYSA-N 390.422 2.991 0 1 GFAF Oc1ccccc1N1CCN(C[C@@H](O)COc2ccc(O)c3ccccc23)CC1 1857576342 WUIYLUXCLPWFDS-QGZVFWFLSA-N 394.471 2.813 0 1 GFAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC)[C@@H](C(=O)Nc2ccccc2)[C@@H]1CO 100112128 GVRBJUCSTJPTET-RBSLRLPRSA-N 393.487 2.504 0 1 GFAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)N1CCOCC1)C2 25206601 BKNFFXDDRUCVJO-IEBWSBKVSA-N 388.552 2.844 0 1 GFAF biogenic Cc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2F)cc(C)c1O 29056919 DGPWEIMURFEODQ-UHFFFAOYSA-N 383.383 2.590 0 1 GFAF CC[C@@H](C(=O)N1CCN(C)CC1)n1nc(C)c2sc3ccccc3c2c1=O 20467008 DBXZSGYIMJCRHV-HNNXBMFYSA-N 384.505 2.645 0 1 GFAF COC(=O)C[C@H](O)C[C@H](O)C=Cc1c(C)ccc2c1[C@@H](OC(C)=O)C[C@H](C)C2 2356675297 PLYNBLLEIDIMDU-JZURDYQRSA-N 390.476 2.870 0 1 GFAF CCC(CC)C(=O)N[C@H]1CCN2C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]2C1 3841226 XLOGTVSQLFDQKP-BBRMVZONSA-N 379.407 2.817 0 1 GFAF biogenic C[C@H](NC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2)C(=O)O 14591300 ZYWRPSQNOCUELV-VIFPVBQESA-N 382.328 2.833 0 1 GFAF biogenic CO[C@H](CN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O)c1ccccc1 72126107 BNKYRLATACYXMN-WOJBJXKFSA-N 394.427 2.821 0 1 GFAF CC(C)[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1 82206209 XSWMELMMYDOFSS-SFHVURJKSA-N 391.475 2.516 0 1 GFAF COc1cc(N2CC(NC(=O)c3ccc4c(c3)c(C)nn4C)C2)c(Cl)cn1 1911577223 OILMTEDQPWTTJJ-UHFFFAOYSA-N 385.855 2.557 0 1 GFAF C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O 143822389 RLJRHWYXJQHCIL-ZHACJKMWSA-N 386.882 2.790 0 1 GFAF CN1CCc2cc(-c3cnc(N)c(-c4nnc(C5CCNCC5)o4)c3)ccc21 142864258 KBDRJATVSJLQHO-UHFFFAOYSA-N 376.464 2.840 0 1 GFAF COc1c(C)cnc(Cn2cc(CCCO)c3c(Cl)nc(N)nc32)c1C 95564242 OXMHCARRTDCOFP-UHFFFAOYSA-N 375.860 2.661 0 1 GFAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2N1 587122217 ASBFNRYWAFHDKY-OQPBUACISA-N 389.345 2.710 0 1 GFAF COc1cc2c3c(c1)O[C@](c1ccncc1)([C@H]1CCCN(C)C1=O)[C@@H](C2)C3=O 587445396 WIHBWLQAUSEPNN-PNLZDCPESA-N 378.428 2.602 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(Br)ccnc2[nH]1 587229836 CLOWJUUVDTUHEG-GHMZBOCLSA-N 381.274 2.757 0 1 GFAF CCOC(=O)[C@]1(c2nccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574903 CPYKZMNDZKMTTP-KKSFZXQISA-N 394.383 2.546 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586944896 QAXGKHAVDZLSKW-UHFFFAOYSA-N 375.237 2.882 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnnc(O)c3[nH]2)C[C@@H]2CCCC[C@@H]21 586957791 FCLNKVHMFTVRIW-RCBQFDQVSA-N 399.476 2.753 0 1 GFAF COc1ccc(-c2cc(C(=O)Nc3nn(C(C)C)c4ncnc(N)c34)no2)cc1 1772612201 SQDOUEPVNLQRPA-UHFFFAOYSA-N 393.407 2.905 0 1 GFAF O=C(NCCCc1ccncc1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12430190 NLSIYZYVQNZCPP-IBGZPJMESA-N 383.467 2.751 0 3 GFAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)N2CCc3ccccc32)cc1 13493901 HVBXHMNOIAHTEY-GOSISDBHSA-N 388.471 2.513 0 1 GFAF CCC/C=C1/CCCO[C@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C1 13828997 VURQGIYUOMSKTB-DBCFMDJHSA-N 378.435 2.663 0 3 GFAF Nc1ncc(-c2csc(CN3CCOCC3)c2)cc1C(=O)Nc1ccncc1 150038711 YXNUVQPEHUKSLS-UHFFFAOYSA-N 395.488 2.872 0 1 GFAF CC(C)C[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166147782 CYRZQHXUVDBICQ-SFHVURJKSA-N 382.464 2.766 0 1 GFAF COc1ccc2c(c1O)NC(=O)CN=C2c1cc(OC)c(OC)c(SC)c1 1857559375 SFJSFGATXFSLJL-UHFFFAOYSA-N 388.445 2.929 0 1 GFAF O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CC2(COC2)C1 1857632141 XGCWPAJMWZAIBV-UHFFFAOYSA-N 379.391 2.538 0 1 GFAF Cn1nc(OC[C@@H]2CCCCO2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21 1857769207 YAOMEMJAWYJKIY-AWEZNQCLSA-N 378.436 2.958 0 1 GFAF CC(=O)NCCNc1nc(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12 4239388 UDMCJYIEFYGOIO-UHFFFAOYSA-N 377.448 2.547 0 1 GFAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N[C@H](C)c1ccccc1 6916397 VDQVZFFAZJQPAM-LLVKDONJSA-N 392.381 2.940 0 1 GFAF C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2S[C@H](C)C4)C[C@@H](C)N1 9133352 LWKWCDOODAUPOG-GMTAPVOTSA-N 391.468 2.520 0 1 GFAF COC(=O)/C=C/[C@@H](CNC(=O)Cc1ccc(O)c(OC)c1)Cc1ccccc1 26735181 NJUQNXVTRIPTAZ-SXAWMYDMSA-N 383.444 2.648 0 1 GFAF O=C(OCN1C(=O)C2=C(CCC2)S1(=O)=O)c1c(Cl)cccc1Cl 26990829 UJHNKHYJPFUFQM-UHFFFAOYSA-N 376.217 2.718 0 1 GFAF O=C(CNCc1ccncc1)N1CCN(c2ccc(Cl)cc2Cl)CC1 64573546 VEEAVRZUFBNPAA-UHFFFAOYSA-N 379.291 2.827 0 1 GFAF CC1(C)c2cc(C(=O)NOCCO)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114800891 PTHXYJQJQZCYCT-UHFFFAOYSA-N 389.411 2.564 0 1 GFAF CC(=O)C[C@@H]1C2=C(O)[C@@H](CC[C@H](O)C[C@@H]3C=C[C@@H]4C(=O)[C@H](C)C[C@@H]4[C@@H]13)OC2=O 2356687808 CCFPLORINZAHKY-QCRQHSEWSA-N 388.460 2.508 0 1 GFAF CC(=O)N[C@@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@@H]21 2356875456 ZQJOKHUICKYDOC-UAFMIMERSA-N 398.415 2.698 0 1 GFAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)NC(C)=O 33986382 GGNHZXRCRZASKP-JTPNTKCXSA-N 393.524 2.829 0 1 GFAF CN(C)CCn1c(CC(C)(C)C)nc2cc(S(=O)(=O)CC(C)(C)O)ccc21 72110359 NDEMQGYBACSASX-UHFFFAOYSA-N 395.569 2.731 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc(O)c(O)c2)cc(OC)c1OC 14646698 CKKVZMACENBCGR-GJZGRUSLSA-N 388.416 2.698 0 1 GFAF biogenic O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccc(F)cc1F 72120635 GRFGQBNGPFNYCF-CQSZACIVSA-N 395.431 2.546 0 1 GFAF NC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 82086078 FEIKXMLBPJHNTA-INIZCTEOSA-N 396.472 2.687 0 1 GFAF COc1cncc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142227624 RWVUJBIZOGMVIO-RUDMXATFSA-N 395.440 2.970 0 1 GFAF CC[C@H]1CN2CC[C@@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@@H]24 238767936 SISNJMQUMOSGQC-PJNMXERLSA-N 376.456 2.825 0 1 GFAF CNC[C@@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N(C(C)C)C[C@H]1C 95872366 YLVBORLKUXXNST-BEFAXECRSA-N 396.491 2.801 0 1 GFAF CC(C)C(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253639084 WXJKTTVGVITSOL-KPEYNIOCSA-N 395.499 2.862 0 1 GFAF C=C1C=C(C)N2NC([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)=NC2=N1 587585707 HAVZYGJMSBELFE-APWZRJJASA-N 388.383 2.728 0 1 GFAF CCCn1c(O)nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1=O 587869858 PJJSDTNCQPPNKS-UHFFFAOYSA-N 395.341 2.634 0 1 GFAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587938572 XOCGSWXTYXGGJI-SGTLLEGYSA-N 389.477 2.659 0 1 GFAF CCOC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587756336 DBXNMVUJLOGIIT-DYZYQPBXSA-N 396.260 2.971 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N2CCOCC2)N1 587768724 VYAQOZCUESCVKP-PIGZYNQJSA-N 385.277 2.587 0 1 GFAF Nc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1N 587184004 NHPBHYITNCZTEY-LBPRGKRZSA-N 393.232 2.574 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(n2)NC(=O)CO3)N1 587792161 LMOWXFQWLBXPCT-ZKANADHPSA-N 392.228 2.938 0 1 GFAF COc1ccc2c(c1OC)[C@@]1(CCC[C@H]1CO)N(C(=O)c1ccccc1N)CC2 963156206 OYGLUDMFZACZEH-HJPURHCSSA-N 396.487 2.972 0 1 GFAF Cc1ccc(F)c(-c2cc(N=c3cc[nH]c4cnn(CC(N)=O)c34)c(C)cn2)c1 1772602655 RCYOPQWQJUQFLX-UHFFFAOYSA-N 390.422 2.900 0 1 GFAF CC(=O)c1ccc(NC(=O)N2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)cc1 5413810 ZSVZAYYIIHCFAL-SFHVURJKSA-N 392.415 2.574 0 1 GFAF biogenic O=C(O)C1=C(Br)C2=N[C@H](c3ccccc3)C[C@H](C(F)(F)F)N2N1 13131003 SHTWFNUMLPJWME-DTWKUNHWSA-N 390.159 2.972 0 3 GFAF Cc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N1CCOCC1 13746290 ZACHDLXRILPBFQ-MHZLTWQESA-N 382.489 2.720 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Cl)cc1Cl 169299175 WGFHSIVDHDSQFC-RSSMSPSSSA-N 377.227 2.691 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC3(CCNC3)C2)cc1)N1Cc2ccc(F)cc2C1 167856746 JZTFFNHMTCVHNN-UHFFFAOYSA-N 394.450 2.809 0 1 GFAF CN1C=CN(CCN(Cc2ccccc2)S(=O)(=O)C(F)(F)F)/C1=C/N=O 209128366 XDYQQFUMPVMUSL-SDNWHVSQSA-N 390.387 2.622 0 1 GFAF O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(N3CCNCC3)ccc21 1857552399 RMOOMSJCQAJALE-UHFFFAOYSA-N 394.475 2.585 0 1 GFAF Nc1c(O)nc(O)nc1C(=O)N[C@@H]1CC[C@H](c2ccccc2)c2ccccc21 1857617113 DDLKUINHWLTMOO-CZUORRHYSA-N 376.416 2.867 0 1 GFAF CN1CC2(CCC1=O)CCN(NC(=O)[C@@H]1[C@@H](c3ccc(F)cc3)C1(C)C)CC2 1857771373 YLDKFTRUCXWSFT-MOPGFXCFSA-N 387.499 2.931 0 1 GFAF Cc1cc2c(c(=O)o1)C[C@@H]1[C@](C)(CC[C@@H]3C(C)(C)OC(=O)C[C@H](O)[C@]31C)O2 2356460126 JZUWHWXBAGVOIA-SVZQKNBGSA-N 376.449 2.761 0 1 GFAF Cc1cccc(NC(=O)CN2C(=O)CCn3nc(-c4cccn4C)cc32)c1C 8609452 GRYLLTMPOKOPEJ-UHFFFAOYSA-N 377.448 2.881 0 1 GFAF Cc1cc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)no1 104038790 JMGFZZWQVUGLHS-BXKDBHETSA-N 381.314 2.693 0 3 GFAF Cc1cn([C@H]2C[C@H](OC3Sc4ccccc4S3)[C@@H](C)O2)c(=O)[nH]c1=O 28464367 PMMFJCJGTOFXDG-UHIISALHSA-N 378.475 2.719 0 1 GFAF C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)CCN1 103280668 STVFKGGBEDQFJA-LBPRGKRZSA-N 399.397 2.765 0 1 GFAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccccn3)CC1)OCC2 27891786 GOFDACCTVUYXLK-LJQANCHMSA-N 383.492 2.925 0 1 GFAF CCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCN(C)CC1 115765892 AMWGPRUNCSRBBP-UHFFFAOYSA-N 392.935 2.773 0 1 GFAF CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC=C2[C@H](O)[C@H]4C[C@@]23CC[C@@]4(O)CO)O1 2356669121 NHENUBLRIYVVBQ-ZCBGGNJGSA-N 392.536 2.775 0 1 GFAF c1ccc(CN[C@@H]2CO[C@H]3[C@H]2OC[C@H]3Nc2nccc(-c3cccs3)n2)cc1 2356854083 RLHWYBNVSMIEOK-IZBJGVDFSA-N 394.500 2.942 0 1 GFAF CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=CC=C[C@H]3[C@@]2(C)C[C@H](c3ccoc3)OC(=O)[C@@H]12 34568107 PXQFQOLTWMOZLV-CHPFXJTMSA-N 398.411 2.881 0 1 GFAF O=C(O)[C@@H]1CCN(Cc2nc(O)c3oc4ccc(Br)cc4c3n2)C1 84669825 XQEZXMGUDOPHOF-MRVPVSSYSA-N 392.209 2.751 0 1 GFAF C[C@H](c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(C(=O)C(C)(C)C)CC1 45321442 BLBDOKQXROFICF-CYBMUJFWSA-N 390.915 2.838 0 1 GFAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@H](C)C(=O)N1CCOCC1)C2 25206605 BKNFFXDDRUCVJO-HKUYNNGSSA-N 388.552 2.844 0 1 GFAF biogenic O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CS(=O)(=O)C3)cc1 96923879 ISUVOYCRPLEUKP-UHFFFAOYSA-N 395.440 2.943 0 1 GFAF Cc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 254121246 ZPKWWRSEUAPMJU-SOIKWTOOSA-N 395.846 2.547 0 1 GFAF O=C(O)[C@H]1CN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1 253868468 AYWYOYAKLYFQAR-FJIJXJHWSA-N 376.500 2.982 0 1 GFAF COc1ccc(-c2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c(O)c2)cc1OC 587928152 ZDEJDJRPARXZPJ-UHFFFAOYSA-N 379.376 2.528 0 1 GFAF C[C@@]1(CC(=O)Nc2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575749 CXTOBACFUNWFFA-UWJYYQICSA-N 391.383 2.931 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1 587251089 YMJYKHDHPXDVGC-UHFFFAOYSA-N 388.449 2.541 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C(=O)O)[C@@H](C(=O)O)C3 586990603 MCUPDORMVZVSGK-NWDGAFQWSA-N 389.363 2.652 0 1 GFAF CCCn1cnc2cc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cc(Br)c21 587004306 RDKKIPHEGWWZFB-UHFFFAOYSA-N 388.229 2.660 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1[C@H](CN[C@H]1C(=O)O)C2 587591070 BCSFBBNVNMWGDN-BOALPHDMSA-N 395.411 2.565 0 1 GFAF COc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2n1 586953972 VKSAQRJXSNPMRL-UHFFFAOYSA-N 387.446 2.891 0 1 GFAF COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587383051 XAXVUVOPJLXDDN-FQEVSTJZSA-N 389.354 2.848 0 1 GFAF CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(C)cc3[nH]2)n(C)c1 586946713 DGKNJRYUIHUYSE-UHFFFAOYSA-N 383.271 2.547 0 1 GFAF Cc1nn(Cc2nc3nc(Br)c[nH]c-3n2)c(C)c1Br 586979171 RRYUNJDLLPEYNE-UHFFFAOYSA-N 386.051 2.691 0 1 GFAF Cn1ncc(Cl)c1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963151278 STWGZBQUKBBPCB-PWSUYJOCSA-N 398.872 2.866 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962693086 CEGXOZNSJDGGJY-PIGZYNQJSA-N 391.468 2.884 0 1 GFAF CCNC(=O)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)[C@H]2N=O 169722208 PPENAOABXJETGA-KRWDZBQOSA-N 399.378 2.796 0 1 GFAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCOCCO)c1 2483895 RCRDIAYXPAYOAZ-UHFFFAOYSA-N 376.453 2.777 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(Cl)cccc12 3591471 GYFMXNLNYOMTAI-UHFFFAOYSA-N 395.846 2.989 0 1 GFAF O=C(O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 3809422 PLYWAKPAFSZPAL-HKUYNNGSSA-N 375.852 2.984 0 1 GFAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4038700 RHXVUHHGYPGFGP-AQKFKSFVSA-N 394.519 2.911 0 1 GFAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)C1 4051786 DVBWTGDJUHVJQV-AOIWGVFYSA-N 383.473 2.577 0 1 GFAF COc1ccc(S(=O)(=O)NCc2ccccc2)cc1NC1CCN(C)CC1 58603746 ODPSGLBLTUIOGI-UHFFFAOYSA-N 389.521 2.680 0 1 GFAF O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCNC[C@H]1COc1cccnc1 114578815 YATLRKDGDMIICW-AWEZNQCLSA-N 396.369 2.865 0 1 GFAF N=C(N)c1ccc2[nH]c(CCCCCc3nc4cc(C(=N)N)ccc4[nH]3)nc2c1 29412061 AIGOSZNVERRZIG-UHFFFAOYSA-N 388.479 2.963 0 1 GFAF CNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1 34840683 GIAYDDWGZZEJQE-UHFFFAOYSA-N 396.476 2.540 0 1 GFAF CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 16043118 PAAMQQBUSSMOMF-ADLMAVQZSA-N 375.421 2.658 0 1 GFAF biogenic COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2OC)cs1 82195433 BLAIDWCXZHDTBO-INIZCTEOSA-N 375.494 2.940 0 1 GFAF C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCC1CCCCC1 82082886 BHEUKEFMLJHSRH-ZDUSSCGKSA-N 399.447 2.885 0 1 GFAF NCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 82081367 LIXOZZAVMAQWPS-CYBMUJFWSA-N 393.896 2.818 0 1 GFAF NCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1 40410741 YSQAQADMLFUOTE-UHFFFAOYSA-N 394.456 2.714 0 1 GFAF C[C@H]1C[C@@H]2O[C@@H](CO)C[C@@H]2O[C@]12CC[C@@]1(CC=C[C@H](/C=C/CCC(=O)O)O1)O2 84739159 NRPAJSHSQQDCGG-FUUOTMETSA-N 394.464 2.530 0 1 GFAF NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc2ccccc2c1 143608951 HYCPOXDKDLGPGQ-VAWYXSNFSA-N 388.470 2.900 0 1 GFAF CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F 95894497 CNWBELVFJUWSNA-NLWGTHIKSA-N 383.423 2.943 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC)C(=O)c1ccccc1 95895337 XOJCLLCNPDDULP-ONTIZHBOSA-N 380.488 2.914 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO2 95688552 NNLGSVIPEFKMPH-DOXZYTNZSA-N 391.512 2.519 0 1 GFAF O=C1CCCN1CCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 98083429 IKJUTZUFTFGUMS-LIKPIUCQSA-N 386.451 2.501 0 1 GFAF NC(=O)c1cc(F)ccc1Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1Cl 299860119 ZXZPBJBIPDTWKA-XYPYZODXSA-N 379.823 2.827 0 1 GFAF CC(=O)N1CCC(c2nc(=NCc3cccnc3)[nH]cc2-c2cc(C)no2)CC1 473135182 MCZNYNVUZUXTSN-UHFFFAOYSA-N 392.463 2.595 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 587163604 SQMVCNXFXQZJLF-UHFFFAOYSA-N 390.440 2.524 0 1 GFAF NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662338 YMHXFVHAKFPBML-UHFFFAOYSA-N 395.415 2.839 0 1 GFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586958284 HHPCVAYAHPQXOF-AWEZNQCLSA-N 387.248 2.734 0 1 GFAF COc1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2n1 587185386 JFFWHGUJMPQDET-NSHDSACASA-N 394.216 2.814 0 1 GFAF Cc1cc(=O)c2c(O)cc(O)c([C@H]3CCN(C)C[C@H]3OC(=O)c3ccco3)c2o1 1772575786 YOOFKRBYJGAJHO-YVEFUNNKSA-N 399.399 2.750 0 1 GFAF COc1ccn2c(c1)nc1c2c(=O)n(CC(C)C)c(=O)n1Cc1ccccc1 1772652227 CGWONKKGFVGSSH-UHFFFAOYSA-N 378.432 2.524 0 1 GFAF CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)[C@@H]2CCOC2)CC1 11701577 NKBRNGGOYKCSLI-QGZVFWFLSA-N 375.465 2.664 0 1 GFAF COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1F 1857573750 MUYMSLBOQQIYEO-LJQANCHMSA-N 392.333 2.762 0 1 GFAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@]2(CC[C@]3(CO[C@H](O)C3)O2)[C@@H](C)[C@H]1O 2356403040 XUFKRKJXYWRSRT-IQDNOJKJSA-N 396.524 2.788 0 1 GFAF CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 4041038 PZLBWILAVIBRLK-PZJWPPBQSA-N 398.507 2.895 0 1 GFAF N[C@@H](CC(=O)N1CCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F 28891294 SLAUFSBANJZJRJ-OAHLLOKOSA-N 391.393 2.654 0 1 GFAF FC(F)(F)COc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12 114750349 XZYUQDWDBKIDHU-UHFFFAOYSA-N 379.342 2.798 0 1 GFAF COC1=C2COC(=O)[C@H]2[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3 2356672634 RJDBEBSQZKELFD-RTBURBONSA-N 380.352 2.820 0 1 GFAF O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 82204416 RFKITARHDSVVBC-UHFFFAOYSA-N 388.427 2.842 0 1 GFAF COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@@H](CC(C)C)NC2=O)cc1 95898390 XBRFMSFVCPUMGC-QZTJIDSGSA-N 386.496 2.597 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)C2CC2)cc1 95895083 MWNWFHGTSYEWEH-RYFNIYPHSA-N 382.504 2.653 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3C)cc2)C12CN(C(C)=O)C2 95668406 FSGGOOOBEUIMMP-FYYLOGMGSA-N 392.499 2.960 0 1 GFAF COc1ccc2nc(COc3ccc(C[C@@H](SC)C(N)=O)cc3)n(C)c2c1 149220810 YRWDVEHLYSHYAE-GOSISDBHSA-N 385.489 2.920 0 1 GFAF c1cc(CN2CCOCC2)cc(C2=NCc3ccnc(OC4CCOCC4)c32)c1 96176045 MUGZEIQKJVORBH-UHFFFAOYSA-N 393.487 2.823 0 1 GFAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(OC[C@H]2CCCO2)n1)C(=O)NC 143381517 ZAAUOWYTSXDXKI-OAHLLOKOSA-N 389.496 2.551 0 1 GFAF COc1cc2c(c(CO)c1OC)CN1CCc3cc4c(c(OC)c3[C@@H]1C2)OCO4 238771349 ABAWIEDHIACBTL-INIZCTEOSA-N 399.443 2.589 0 1 GFAF CN1C[C@H]2CC[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 253680018 AJTUHKLZAPUJNI-NWDGAFQWSA-N 389.402 2.596 0 1 GFAF Cc1nc(O)nc(S)c1C(=O)N[C@H]1[C@@H]2CCCC[C@@H]2N[C@@H]2CCCC[C@@H]12 254136636 ABTZKNNKLUKWHH-AQDIXCGQSA-N 376.526 2.599 0 1 GFAF CN1C(=O)[C@@]2(C)S[C@@]1(c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 254076139 HVPHFUKVAWYJPT-GQSCTRQFSA-N 378.453 2.623 0 1 GFAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCNCC3)nc21 653808326 GNRWBVNBKBFCAQ-UHFFFAOYSA-N 387.390 2.563 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccnc(Br)c2[nH]1 586951798 ZZPKPHDTMZFJEB-UHFFFAOYSA-N 388.272 2.524 0 1 GFAF CCOc1ccc(-c2nn(C(=O)C(=O)OC)c(=O)c3ccccc23)cc1OCC 587668698 BRZNUTXCTHRYLP-UHFFFAOYSA-N 396.399 2.674 0 1 GFAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(I)cnc2[nH]1 587118416 PUTLKIZLSYNSHD-UHFFFAOYSA-N 393.110 2.982 0 1 GFAF COC(=O)C(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587807587 LXQKFCQNZOCRRP-MIHTYCSTSA-N 384.245 2.860 0 1 GFAF COCc1nc([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cs1 962645197 VQEBKDGBCAEHSZ-YMTOWFKASA-N 388.367 2.876 0 1 GFAF COC(=O)c1c(OC(=O)c2ccccc2)noc1CC(=O)O[C@@H]1C=CCCC1 5809787 MELDVCDDAUVMOX-CQSZACIVSA-N 385.372 2.875 0 1 GFAF CCNC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccccc2C1=O 13757411 VIFLRPYPHOYEOY-MRXNPFEDSA-N 382.416 2.567 0 1 GFAF Cc1cccc(C(=O)N[C@]23CCC[C@](C(=O)Nc4ccnc(C)n4)(CC2)C3)n1 169710872 ICLSGXPHOMUHDE-LEWJYISDSA-N 379.464 2.950 0 1 GFAF O=C(NCCCNC(=O)c1n[nH]c2ccccc12)c1cc(-c2ccccc2)on1 201714978 HTRCFBSVNMFJBO-UHFFFAOYSA-N 389.415 2.768 0 1 GFAF CN1C[C@H](NC2CCC2)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356392807 PTQNFKCLANZGJV-HNAYVOBHSA-N 393.478 2.740 0 1 GFAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@H](CO)Cc1ccccc1 4153902 ZSJHHFKLKWVXPJ-HTAPYJJXSA-N 382.460 2.546 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(OC)c2)cc1 100101599 INMDHFQDXGLXMO-JCJGNVMHSA-N 384.501 2.857 0 1 GFAF COCc1nc2c(OC)ccc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)c2[nH]1 53156630 WWBMDNVOUMWXEP-UHFFFAOYSA-N 397.218 2.910 0 1 GFAF C[C@@H](S[C@H](CCc1ccccc1)C(=O)O)C(=O)NC1(C(=O)O)CCCC1 28755670 IRFLEJXVMMQAGR-UKRRQHHQSA-N 379.478 2.708 0 1 GFAF COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](N)c1cc(=O)c(SC)ccc12 27711984 UIISPSQWSADMCY-QOKNQOGYSA-N 375.490 2.890 0 1 GFAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1)c1ccco1 2356827290 HPFQUDSAXOSSGU-HMXCVIKNSA-N 379.504 2.778 0 1 GFAF Cc1ccc(-c2nc(N3CCOCC3)nc(-n3ccnc3C)n2)c2cc[nH]c12 73224568 JNFCYFOVXWKHNQ-UHFFFAOYSA-N 375.436 2.659 0 1 GFAF COC(=O)c1ccc(Cn2cc(/C=C3\NC(=O)NC3=O)c3ccccc32)cc1 45384667 FIXFYMIBMCBWEW-YVLHZVERSA-N 375.384 2.657 0 1 GFAF CN(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196088 JDUXZIQVGXFNBT-UHFFFAOYSA-N 397.401 2.594 0 1 GFAF COc1cc(C(=O)NCCO)ccc1-c1cc(C(F)(F)F)cc2[nH]ncc12 222301138 MQBAPASGXUTVKD-UHFFFAOYSA-N 379.338 2.979 0 1 GFAF C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccccc3)cnc2O[C@@H]1CN(C)C 95711537 WYWRIWAKLMZJHI-RZQQEMMASA-N 383.492 2.530 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 257387725 BMPRGPGLZWJNOP-LPEVQOTDSA-N 378.465 2.897 0 1 GFAF endogenous,in-man COc1ccc(-n2nnc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1 299856177 INHQBWIKOPKMKQ-LJQANCHMSA-N 393.447 2.804 0 1 GFAF CCOc1ccc2cc(-c3nn(CC(F)(F)F)c(N)c3C(N)=O)cnc2c1 653706740 QDNYKPYYLWQMPU-UHFFFAOYSA-N 379.342 2.740 0 1 GFAF COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587396057 WLHPOWXHTPEGHU-RXVVDRJESA-N 382.416 2.588 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(CCO)CCO)cc1)CC2=O 587468664 JJEFPRLHSLAHHF-NRFANRHFSA-N 385.460 2.842 0 1 GFAF CCOC(=O)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571449 KVBKAEGPUDPYQA-NOUVTRLXSA-N 383.400 2.731 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(F)cnc2[nH]1 586945918 MVMYKWYGKMAQSO-CYBMUJFWSA-N 390.440 2.530 0 1 GFAF COC(=O)C(=O)C[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516295 VLZYWCNCYJAFPQ-QFIPXVFZSA-N 379.412 2.953 0 1 GFAF Cc1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1 587181616 WYXLDAWGAPYTOI-UHFFFAOYSA-N 382.161 2.575 0 1 GFAF O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)[C@H]1C(=O)c1ccc(F)cc1 169688741 BVVSGRPOAWXFIQ-OALUTQOASA-N 389.386 2.767 0 1 GFAF O=C1COCc2cc(-c3cc(F)cc(F)c3)ccc2N1CCN1CCOCC1 205224240 YCQVIZASBYIIHI-UHFFFAOYSA-N 388.414 2.827 0 3 GFAF O=S1(=O)CCCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21 148583696 RVNBVNLGQWBKSJ-OAHLLOKOSA-N 394.443 2.859 0 1 GFAF CCOc1cc(CN2CC(NC(=O)c3cncc(C)c3)C2)cc(OCC)c1F 58487675 WISBOMVTORMKRV-UHFFFAOYSA-N 387.455 2.941 0 1 GFAF CC[C@H](O)[C@]1(C)O[C@]2(O[C@](C)([C@@H]3OC(=O)C(C)=C[C@@H]3C)C[C@@H]2C)[C@@H](C)[C@H]1O 2356629776 PUWSWDPZBXOVMY-IZKCTXKVSA-N 382.497 2.562 0 1 GFAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CC[C@](C)(NC)[C@H](O)[C@H]32)O1 2356865666 VLBCDXKEKYYAFI-UYRHJEOJSA-N 395.632 2.675 0 1 GFAF O=S1(=O)C[C@@H](O)c2cc(Br)ccc2N1Cc1cccc(F)c1 72139845 LIJONHGNBZJTTJ-OAHLLOKOSA-N 386.242 2.972 0 1 GFAF O=C(CCN1C(=O)N[C@H]2CCCC[C@@H]2C1=O)NCCSCc1ccccc1 212536880 QNEGWKJMPNINBU-IRXDYDNUSA-N 389.521 2.537 0 1 GFAF CC(C)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 198921490 SXPQVASEEKLGJJ-PMACEKPBSA-N 399.535 2.625 0 3 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CN(CC)C(C)=O 95895307 DMYQOUWKCURJRZ-FUDKSRODSA-N 395.503 2.682 0 1 GFAF CC[C@@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 25430169 SAYWOXRQVRVECT-CVEARBPZSA-N 399.447 2.598 0 1 GFAF biogenic CC(C)[C@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 621477870 SCJDOJLKHXWESV-AWEZNQCLSA-N 393.431 2.675 0 1 GFAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC 299883231 QYZZSINNHNEXJF-PAXLWEDBSA-N 398.459 2.683 0 1 GFAF CC(=O)n1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1=O 587795594 RDUDWEOTPBYADU-RBHXEPJQSA-N 396.260 2.844 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1 587232306 WHPRHTFDPQYUFK-IRXDYDNUSA-N 388.512 2.540 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN[C@H](C(=O)O)[C@H]3C2)N1 587797271 RNDIXZSEJOLELO-YIUMLOLXSA-N 397.288 2.790 0 1 GFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587193917 IKWANFUTNXWQJV-GFCCVEGCSA-N 380.420 2.918 0 1 GFAF CC1=C(c2ccc3nc([C@H](N)Cc4ccc(O)c(Cl)c4)[nH]c3c2)NNC(=O)C1 587051820 FLDBJQCEHHRVAK-CQSZACIVSA-N 397.866 2.920 0 1 GFAF C[C@@]1(c2ccccc2S(C)(=O)=O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962716336 UGQHQJLESFGFPK-CRAIPNDOSA-N 397.418 2.999 0 1 GFAF CCCCn1c(=O)c2c(nc3cc(OC)ccn32)n(Cc2ccccc2)c1=O 1772640684 SMZIZJIVQRWZQU-UHFFFAOYSA-N 378.432 2.668 0 1 GFAF COCc1cccc(-c2ccc3c(c2)N(CCN2CCOCC2)C(=O)COC3)c1 205225928 WXDHKCGTIARASI-UHFFFAOYSA-N 396.487 2.695 0 3 GFAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(=O)N3CCOCC3)cc2n1 205651372 HESGPRKEUDYITM-UHFFFAOYSA-N 379.391 2.612 0 1 GFAF COc1ccccc1N1CCN(CCNC(=O)c2nsc3ccccc23)CC1 53127457 FXWOSRWSZZCAGJ-UHFFFAOYSA-N 396.516 2.857 0 1 GFAF CCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)CC1 20138934 UUHGVIRYFOYJIC-FCHUYYIVSA-N 389.499 2.688 0 1 GFAF CN1[C@@H]2CC[C@@H]1[C@@H]1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)[C@@H]1C2 101093955 QLJHRHJFUIHEAT-GSEOLPGOSA-N 384.476 2.878 0 1 GFAF CS(=O)(=O)c1cccc(-c2cnn3c(C(N)=O)cc(-c4ccccc4)nc23)c1 63539160 NJHUNGSSNYHTPU-UHFFFAOYSA-N 392.440 2.566 0 1 GFAF CCC1=CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1C(=COC)C(=O)OC 2356453328 VCNYNWHVJKWJRQ-WQFQCULDSA-N 382.460 2.968 0 1 GFAF CCCCCCC(=O)CCCCCCC=CC[C@@H]1OC(=O)[C@](N)(CO)[C@H]1O 2356629886 SWRBTIXRGZAKBN-ZJOUEHCJSA-N 383.529 2.789 0 1 GFAF c1ccc(COc2nc(-c3cccc4[nH]ncc34)cc(N3CCOCC3)n2)nc1 66258310 YWFIUNNXPYDNPB-UHFFFAOYSA-N 388.431 2.831 0 1 GFAF COC(=O)[C@]1(CCC(=O)OC(C)(C)C)[C@H](C)C(=O)N1Cc1ccc(OC)cc1 72119923 FOGRDLRBGQSAET-SZNDQCEHSA-N 391.464 2.707 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CNC(=O)c1cccc(F)c1 95895396 ZJXUDCKKEIQJBB-AQNXPRMDSA-N 399.466 2.504 0 1 GFAF O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F 95893506 DYVLAKDHBIPRBF-NJYVYQBISA-N 394.446 2.942 0 1 GFAF CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(O)[C@@H](O)C4=C(C)C(=O)O[C@@H]4C[C@H]32)C1(C)C 238731454 LBVMRCGYVDNZED-YFEQSTBNSA-N 392.492 2.508 0 1 GFAF CCNc1nnc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 95598168 KIBCHNPKZGBIGC-UHFFFAOYSA-N 393.472 2.966 0 1 GFAF COC(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1OC 587131293 CKKKHDBUCSIZJG-UHFFFAOYSA-N 382.363 2.977 0 1 GFAF COC(=O)c1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2n1 587067367 WKAUMHXYXKLIDV-UHFFFAOYSA-N 375.768 2.798 0 1 GFAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 587658237 MNSNKJYWUKBLON-GFCCVEGCSA-N 376.384 2.701 0 1 GFAF CCOC(=O)CSc1nc2cc(-c3ccc(F)cc3)sc2c(=O)n1N 957656339 ZAXTWWDUYYZFKO-UHFFFAOYSA-N 379.438 2.633 0 1 GFAF Cc1ccnc2c1CCN[C@]2(C)c1cc(I)ccc1N 963069396 MGYMEEYNWUGFKT-MRXNPFEDSA-N 379.245 2.986 0 1 GFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 962942863 CGQLJUXRKAMLEI-WHEQGISXSA-N 375.428 2.767 0 1 GFAF COc1ccc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1CN(C)C 962921740 DLNDETNXQJJNER-QHCPKHFHSA-N 381.520 2.868 0 1 GFAF Cc1cnc(CNC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cn1 1772639257 VLXVAXQLOQKYMM-SHTZXODSSA-N 376.468 2.768 0 1 GFAF NC(=O)CNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772608703 XOZOUNVNXVAORI-UHFFFAOYSA-N 390.321 2.656 0 1 GFAF CCN1CCN(C(=O)CCc2nnc(CCCCc3ccccc3)o2)[C@@H](C)C1=O 13637188 XBNNCTULZNYHKU-KRWDZBQOSA-N 398.507 2.647 0 3 GFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc(OC)c1O 15161124 SGRRPSBKBJVKJE-XHSUDLSASA-N 388.416 2.633 0 1 GFAF in-vitro C[C@]1(O)CCN(Cc2cncnc2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356289429 VQRMGEKHQDZJGS-XPNTWCBSSA-N 394.519 2.850 0 1 GFAF O=C(C(=O)N1C[C@@H]2C[C@@H]1CN2C(=O)c1ccccc1)c1c[nH]c2cccc(F)c12 101872452 HKIBPHYNMONPQI-LSDHHAIUSA-N 391.402 2.615 0 1 GFAF CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 116016554 IRUDZRRJNDDVLC-GASCZTMLSA-N 395.463 2.688 0 1 GFAF COc1ccc(CCNC[C@@H](O)COC(=O)c2ccccc2Cl)cc1OC 25972923 BBLPIBZSFDYOBH-OAHLLOKOSA-N 393.867 2.707 0 1 GFAF CCOCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 28476818 OSAAOZWLMOFOBT-FMEZPUKVSA-N 384.513 2.669 0 1 GFAF CC(C)(C)c1csc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)n1 71317794 SARAENXTDJVVCO-UHFFFAOYSA-N 394.541 2.933 0 1 GFAF COC(=O)C1=C[C@H]2C[C@H]3[C@@]14CC[C@@]1(O[C@H]4O2)C(=O)O[C@@H](c2ccoc2)C[C@@]31C 2356725618 RGDBZDOPISKAIW-IDWMHVLJSA-N 386.400 2.667 0 1 GFAF CCCCCc1cc(O)c(CCCC)c(O)c1[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O 2356727312 BXDSSSHSCHNSBQ-RDMVSMOGSA-N 382.497 2.716 0 1 GFAF O=C(O)C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1Cc1nc2cnccc2[nH]1 2356762697 NFLVYZFYGNIADI-JKSUJKDBSA-N 378.432 2.754 0 1 GFAF O=C(N[C@@H]1CCC[C@H](C(=O)N2CCOCC2)C1)NC12CC3CC(CC(C3)C1)C2 84758398 WOWHTGZSYYPCMC-IZBXYKSJSA-N 389.540 2.672 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CCC[C@H](N)C1 222353949 JPLWJJBURUCINP-UONOGXRCSA-N 390.491 2.901 0 1 GFAF COc1ccc(/C=C2/C[C@](CO)(COC(=O)c3ccc(C)cc3)OC2=O)cc1 40846723 KQNGEGIVAGMRPW-OAIBDCNXSA-N 382.412 2.922 0 1 GFAF CN1C(=O)[C@@]2(C)S[C@@]1(c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 195514975 HVPHFUKVAWYJPT-RFZJPIJTSA-N 378.453 2.623 0 1 GFAF C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 142235169 QVGQUCWOYJTYPY-AWEZNQCLSA-N 381.480 2.954 0 1 GFAF NCc1cccc(C[C@H](C[P@@](=O)(O)[C@@H](N)CCc2ccccc2)C(=O)O)c1 98208430 OGZYJUYHRXGJNP-RTBURBONSA-N 390.420 2.577 0 1 GFAF in-vitro Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccc(S(C)(=O)=O)cc1 96922300 GWOGGHMBOMNZNZ-UHFFFAOYSA-N 384.457 2.937 0 1 GFAF CC(=O)N1[C@@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)C12CN(C(=O)NC(C)C)C2 95796522 MSODIOVDXIJOKS-LEWJYISDSA-N 397.519 2.733 0 1 GFAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCC[C@H]1C1CCCCC1 618014955 PGDIXKOLJRMQDQ-MRCYXTNMSA-N 384.524 2.766 0 1 GFAF COc1ccc(C)c(Nc2nccnc2NS(=O)(=O)c2cccc(N)c2)c1 299822914 QFABNFGNQIFMEO-UHFFFAOYSA-N 385.449 2.920 0 1 GFAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 587245365 UUQXJAJFZNAJLP-UHFFFAOYSA-N 383.799 2.510 0 1 GFAF N=c1nc(O)c2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2[nH]1 587024478 ANUIUMXVAKOZHS-UPJWGTAASA-N 398.492 2.607 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccnc(Br)c2[nH]1 587232552 ZCJFOVSTCFGFKS-MNOVXSKESA-N 381.274 2.757 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CS(=O)(=O)N(C)c2ccccc21 587494518 XPNXEUVDVFOODM-HXUWFJFHSA-N 387.457 2.985 0 1 GFAF O=S(=O)(NCc1nc2cc3ccccc3cc2[nH]1)c1ccc2c(c1)OCCO2 586941258 ILSVJYJEMKZHGN-UHFFFAOYSA-N 395.440 2.966 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CN[C@@H](C(=O)O)[C@H]32)N1 587794403 MOLXFCBHTUDALH-AYDXQHCWSA-N 397.288 2.790 0 1 GFAF O=C([C@@H]1Cc2ccccc2[C@H](Cn2c(=O)oc3ccccc32)N1)C(F)(F)F 962729639 IQBZKOWQUWCEKZ-KBPBESRZSA-N 376.334 2.982 0 1 GFAF COc1cccc2cc3c(nc12)[C@](C)(c1cccc(OCC(N)=O)c1)NCC3 963056745 MLCSZODYJPCRKR-QFIPXVFZSA-N 377.444 2.517 0 1 GFAF C[C@@]1(c2c(F)cccc2N2CCOCC2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962924766 VABCHQSUGJZPLJ-LAUBAEHRSA-N 388.414 2.664 0 1 GFAF Cc1cc(C)c2c(c1)[C@]1(NCCc3c(C(=O)O)cccc31)C(C(=O)O)=CN2C 963136088 XQYNLDMRPIBMFW-QFIPXVFZSA-N 378.428 2.809 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cnn(-c3cccc(Cl)c3)n1)NCC2 962924796 MAEHUXSWMXGOKF-IBGZPJMESA-N 381.867 2.858 0 1 GFAF Cc1cnc(O)n1-c1ccc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962927901 FIKJLWBJQVXNKA-QHCPKHFHSA-N 390.487 2.997 0 1 GFAF COc1ccc(-c2c(C(N)=O)c3n(c2C2CC2)CCN(C(=O)NC2CC2)C3)cc1 1772636039 GHYVZTZYUPGQQF-UHFFFAOYSA-N 394.475 2.828 0 1 GFAF Cc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2cnsn2)CC1 12112178 ZWONFGVVXGDOPU-UHFFFAOYSA-N 396.476 2.773 0 3 GFAF COC(=O)CN[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O 13860466 SQKWAGXVJGPJIT-QGZVFWFLSA-N 392.242 2.872 0 1 GFAF COc1ccc2nc(Cn3nc(CC(=O)O)c4ccccc4c3=O)sc2c1 13860757 XKMRTYNPAFDESO-UHFFFAOYSA-N 381.413 2.690 0 1 GFAF COC[C@H](CO)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 13861687 LXKHZIVVODUPIX-INIZCTEOSA-N 383.517 2.854 0 1 GFAF O=C(NCCCN1CCOCC1)c1csc(Nc2ccc(Cl)cc2)n1 1857615985 VUOHWVNXAMJGMN-UHFFFAOYSA-N 380.901 2.992 0 1 GFAF Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)NC3CCCC3)CC2)c1C 1857752666 YBBURAJODOPYLZ-UHFFFAOYSA-N 397.527 2.705 0 1 GFAF COc1ccc(/C=C/S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)cc1N 1857765279 ZNQCSGBWWWHXOY-BQYQJAHWSA-N 379.434 2.748 0 1 GFAF C[C@H](O)[C@@H](CCc1cccc(Br)c1)n1cnc2c(N)ncnc21 1857766899 NSJYEDVMTHJAPI-GXFFZTMASA-N 376.258 2.726 0 1 GFAF CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCO)c1 4152607 PBZZQNGKXAOCSU-CTNGQTDRSA-N 398.459 2.684 0 1 GFAF COc1ccc2c(c1)[C@@]13CCN(C)C=C4[C@H](C)OC[C@H]([C@H]4CC1=O)[C@H]3N2C(C)=O 2356431729 CGCVCRNBATWZMJ-OTTYXFSYSA-N 396.487 2.511 0 1 GFAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@H](O)CN 29553940 AYMHYBUGFXYGNZ-LLVKDONJSA-N 392.818 2.873 0 1 GFAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)[C@@H]1Cc2ccccc2N1 26375543 OAJOQLLFRSQRTN-RBBKRZOGSA-N 396.450 2.955 0 1 GFAF O=C1NCc2c1c1c(c3[nH]c4ccc(C(=O)N5CCOCC5)cc4c23)CCC1 28569546 GMMMUDGIRVMPLW-UHFFFAOYSA-N 375.428 2.526 0 1 GFAF CCOC(=O)c1cccc(Nc2nc(N)n(C(=O)c3ccc(N(C)C)cc3)n2)c1 64560178 QHVZRSACWOIYKS-UHFFFAOYSA-N 394.435 2.535 0 1 GFAF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccc(OC)cc12 26508524 BDUSZNONBZSSTB-IBGZPJMESA-N 394.427 2.650 0 1 GFAF CCC(=O)[C@@H]1C[C@@]2(CO)[C@H]3CCC4=C5[C@H](CC4)[C@@H](C(=O)OC)C[C@]52CN(C)[C@@H]13 2356819203 FAAGNWHRMPLKSR-GPAHIWMTSA-N 387.520 2.574 0 1 GFAF CC(C)Cc1ccc(-c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 45390828 AVLJSIGRDQEBAF-IBGZPJMESA-N 390.439 2.953 0 1 GFAF C[C@H]1CNC(c2cccc(NC(=O)Nc3cccc(C4=N[C@@H](C)CN4)c3)c2)=N1 45338371 FADOZRBISJANQU-KBPBESRZSA-N 376.464 2.807 0 1 GFAF O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)Nc1ccc(-c2ccccc2)cc1 95887743 UTTUQCGEIXLGEI-MYGLTJDJSA-N 396.487 2.579 0 1 GFAF CNC(=O)[C@](C)(CC1CC1)NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1 146505049 YXONYLIADHIZCX-SFHVURJKSA-N 399.413 2.935 0 1 GFAF CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1 95597479 KBFDMWOMIBRCFI-UHFFFAOYSA-N 399.512 2.965 0 1 GFAF COC1=C(c2ccccc2)C(=O)O[C@@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 95594065 BDKJWIMCKYLJNX-PZJWPPBQSA-N 399.418 2.679 0 1 GFAF Cc1ccccc1CNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 263590698 JDXKUNIDWZKHPK-WHLIWEHUSA-N 388.467 2.593 0 3 GFAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)nc(=N)[nH]c1N1CCCC1)CC2=O 587476471 UOYKVHODNWKLDZ-INIZCTEOSA-N 398.463 2.863 0 1 GFAF COC(=O)[C@@]1(O)Cc2cc(Cl)ccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587379896 MHTUCANYLAVQOY-PMACEKPBSA-N 387.819 2.552 0 1 GFAF COC(=O)c1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 587194400 RTCXBRRLYKASCY-AWEZNQCLSA-N 376.457 2.867 0 1 GFAF COC(=O)c1ccnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 587143649 CQEOTASTOPLTCD-GFCCVEGCSA-N 393.216 2.889 0 1 GFAF COC(=O)c1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2n1 587029101 HSLVADKAPFTRLV-UHFFFAOYSA-N 381.417 2.894 0 1 GFAF CS(=O)(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184677 LWNQTXGVQVBVIU-UHFFFAOYSA-N 399.213 2.633 0 1 GFAF O=S(=O)(NCCc1nc2ccc3ncccc3c2[nH]1)c1ccc(Cl)nc1 586943233 ZOCWTSWINODOAA-UHFFFAOYSA-N 387.852 2.681 0 1 GFAF COc1ccc([C@@]2(CC(=O)C(F)(F)Cl)c3nn(C)cc3CCN2C)cc1 963953985 FHNJMRNPKNORDO-KRWDZBQOSA-N 383.826 2.951 0 1 GFAF Nc1ccc(CNC(=O)Nc2ccc(C(=O)Nc3ccccc3N)cc2)cn1 1772619736 YXSLDJJKDNACFM-UHFFFAOYSA-N 376.420 2.820 0 1 GFAF CS[C@@]1(Cc2ccccc2)NC(=O)[C@@](Cc2ccccc2)(SC)NC1=O 13449652 JNYUWTYXFKBOOZ-WOJBJXKFSA-N 386.542 2.836 0 1 GFAF biogenic O=C(O)CCNC(=O)[C@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 13737343 JUUGRNXBMBREMY-MOPGFXCFSA-N 383.444 2.770 0 1 GFAF CC/C=C\Cn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21 13839102 ZZECZRDKUBKRTK-SREVYHEPSA-N 383.452 2.991 0 1 GFAF CCCC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1 14950243 YQGOLKAPGJXEGX-UHFFFAOYSA-N 397.479 2.501 0 1 GFAF CCS(=O)(=O)N[C@H]1CCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204987369 ICJMGJBNROMRTB-SFHVURJKSA-N 385.489 2.584 0 1 GFAF CN(C)c1nc(Cc2ccccc2)nc2[nH]c3cc(-c4nnn(C)n4)ccc3c12 1857617272 PCORHTJEYKGPDA-UHFFFAOYSA-N 384.447 2.958 0 1 GFAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC=CC(=O)O)[C@H](C)[C@H](O)[C@H]2C 2356327537 COFIVWDWWDQMEE-GOAMSAHGSA-N 382.497 2.744 0 1 GFAF COc1ccc(-c2cc3ncccc3c(NC[C@H]3CC(=O)NO3)n2)cc1OC 118623809 QNZWYYNYEINIOO-CYBMUJFWSA-N 380.404 2.546 0 1 GFAF O=C(NC1CCC(O)CC1)c1cnn2ccc(N[C@H]3CCc4ccccc43)nc12 113758145 IJRFYMDEHNCGGT-RJYAGPCLSA-N 391.475 2.862 0 1 GFAF CC(C)C[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O 61959699 JXSVZYKHJHDEPQ-QGZVFWFLSA-N 381.480 2.687 0 3 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(OC)C[C@H]12 2356663382 CZMOHCGAILDDJJ-TYOYODCDSA-N 378.465 2.897 0 1 GFAF CC(=O)Nc1n[nH]c2c1[C@@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 34891707 RBCQNTRBKVPZQE-DOMZBBRYSA-N 394.884 2.862 0 1 GFAF CC(C)N1CCCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1 64503997 PWJXWSKGZAZFAG-UHFFFAOYSA-N 398.551 2.567 0 1 GFAF c1ccc2c(NCCN3CCOCC3)nc(-c3ccc4c(c3)OCO4)nc2c1 33362345 VNGKUXSPWRYFLG-UHFFFAOYSA-N 378.432 2.770 0 1 GFAF CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)s1 72176990 DISCTFBWYHSMAO-UHFFFAOYSA-N 384.509 2.571 0 1 GFAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 82198595 AWTIKGXAYFOOSE-SQUUUKGHSA-N 388.508 2.589 0 1 GFAF CC(=O)Nc1cn2cc(-c3cnc(N)c(O[C@@H](C)C(F)(F)F)n3)ccc2n1 43172291 ADLJEZREHNJMCU-QMMMGPOBSA-N 380.330 2.662 0 1 GFAF in-vitro O=C(c1ccncc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 95570464 ODRNCXKXNVTUTQ-XOKHGSTOSA-N 388.265 2.834 0 1 GFAF CC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)NC(C)C 95895005 GADBNHUZOADWRD-HBMCJLEFSA-N 385.508 2.637 0 1 GFAF COC1CCC2(CC1)Cc1ccc(OC3CCCC3)cc1[C@]21N[C@H](N)N(C)C1=O 146789469 UGAPTSZEDDDGRM-QILSHIJVSA-N 399.535 2.639 0 1 GFAF CC[C@H](N[P@](=O)(O)CNC(=O)OCc1ccccc1)C(=O)NCCC(C)C 299844587 IDGOTQNSIZBDML-INIZCTEOSA-N 399.428 2.586 0 1 GFAF COc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cn1 587019335 KPEDXOKKEDWRKH-UHFFFAOYSA-N 381.417 2.972 0 1 GFAF N[C@@H](Cc1ccc(I)cc1)c1nc2cc(F)cnc2[nH]1 587185154 YDOGAORAJGMQAC-NSHDSACASA-N 382.180 2.944 0 1 GFAF CCOC(=O)CCC1(CCC(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587399086 HUYLXVXKRUTIOS-UHFFFAOYSA-N 377.437 2.968 0 1 GFAF COC1=CN(C)C(C(=O)O)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587761421 UFYQWEREPTUIMZ-XLFHBGCDSA-N 397.244 2.719 0 1 GFAF CC(C)c1nn(C)c2c1[C@@](C)(CCCN1C(=O)c3ccccc3C1=O)NCC2 962905400 DQTCDGRJFRVULU-JOCHJYFZSA-N 380.492 2.981 0 1 GFAF Cn1cccc1[C@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963152365 UPOMCZZEHYJHGS-KPZWWZAWSA-N 377.466 2.992 0 1 GFAF CCOC(=O)C[C@@H](C(C)=O)[C@@]1(C)c2cc(OC)ccc2CCN1CCCOC 961326924 SKIWOTHMRANYHR-UGKGYDQZSA-N 391.508 2.963 0 1 GFAF Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1NCCc2c1sc(C)c2C 963012421 QCSAERLDEPDKGY-YOEHRIQHSA-N 379.551 2.773 0 1 GFAF COc1ccc2c(c1OC)[C@@](C)(C(C)(C)n1cncn1)NCC21CCOCC1 963195736 WEDFSOIOVJAUHS-FQEVSTJZSA-N 386.496 2.597 0 1 GFAF C[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962705973 GRHPDBAEPOYWPL-WMZOPIPTSA-N 397.418 2.999 0 1 GFAF N[C@@H](CC[P@@](=O)(Oc1ccccc1)Oc1cccc(CC(=O)O)c1)C(=O)O 1772649085 QVSLIJZSAPYYGQ-RKOGDMNLSA-N 393.332 2.767 0 1 GFAF COc1cc(SCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC 5891531 QLMIARUXUJWQRR-UHFFFAOYSA-N 387.465 2.816 0 1 GFAF O=C(Nc1csc(Cc2ccc(Br)cc2)n1)NN1CCOCC1 13553611 GMHVWVKZRXEYJI-UHFFFAOYSA-N 397.298 2.865 0 1 GFAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccncc5)cc4)c12)CCC3 1857606326 RSBOUAOCUGXXJM-UHFFFAOYSA-N 384.443 2.898 0 1 GFAF Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1 593263 NYAGCZSLJIRCHU-UHFFFAOYSA-N 387.413 2.720 0 1 GFAF CCOc1ccccc1NC(=O)CSc1nnc2c(CC)c(C)nc(N)n12 1331369 CWTNSTKQFIFRKH-UHFFFAOYSA-N 386.481 2.707 0 3 GFAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)NCCO)CC[C@@H]4[C@@H]3CC[C@@H]12 1536896 RYYSYRHPOPBMEU-IJCWNNEKSA-N 376.541 2.575 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC[C@@H]3CCCO3)c(C)c2c1 2459875 OSCCRERSZLDAEI-AWEZNQCLSA-N 394.493 2.681 0 1 GFAF CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccccc3Cl)n2)c1C 2627879 YRXCYSPLNWKIAX-UHFFFAOYSA-N 387.827 2.998 0 3 GFAF C[C@]1(O)CCN(Cc2cncnc2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356289428 VQRMGEKHQDZJGS-XJUOHMSHSA-N 394.519 2.850 0 1 GFAF COCON1C(=O)C(Cc2ccccc2)=N/C(=C\c2ccc(OC)cc2)C1=O 33818899 AOVCIWOQTNDQKU-UYRXBGFRSA-N 380.400 2.624 0 1 GFAF COc1cc(Br)cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)c1O 71294973 IWLVLRFSHYEXNX-GFCCVEGCSA-N 392.209 2.563 0 1 GFAF CN(Cc1cccnc1)C(=O)CCc1cccc(-c2nc3c(N)ncnc3[nH]2)c1 1911584271 BDFDLLCOQMCPIS-UHFFFAOYSA-N 387.447 2.588 0 1 GFAF CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](C)N2 82207017 DCADYPOVJIXGQS-NSHDSACASA-N 398.385 2.745 0 1 GFAF COc1ccc(-c2csc(NCC(=O)NC[C@@H]3CCCO3)n2)cc1OC 82193665 ZQDBAEKWHILGSQ-ZDUSSCGKSA-N 377.466 2.534 0 1 GFAF COc1cc2nc(NCCc3ccc(O)cc3)nc(NC[C@@H](C)O)c2cc1OC 82129057 QNGUFRSDHLKLMS-CYBMUJFWSA-N 398.463 2.800 0 1 GFAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cnc2[nH]ncc2c1 95920880 GSOKXULJBKNHLF-UHFFFAOYSA-N 392.440 2.721 0 1 GFAF in-vitro CCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO 95875137 RVOKLENHAKIBKK-FUPPJEDESA-N 379.504 2.910 0 1 GFAF C[C@H]1CNC(=O)[C@@H](Cc2ccc(C(F)(F)F)cc2)CCn2nncc2COC1 95662629 GABXPMVNYXBBOJ-DZGCQCFKSA-N 396.413 2.828 0 1 GFAF CC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C1CCCC1 95895238 PDWWKLBSTQAXPL-DNVJHFABSA-N 379.504 2.956 0 1 GFAF COC(=O)/C=C1\CC[C@@H]2[C@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 263591387 AHLOUXATKVXJKD-FVCRHONFSA-N 392.467 2.940 0 3 GFAF O=C1OCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2CCO)OCO3 299823002 JGDIPVJHUIVZLE-GOSISDBHSA-N 385.803 2.824 0 1 GFAF Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3cccc(F)c3)c(=O)c2c1 299839305 XQUGHXUWLSAKPV-UHFFFAOYSA-N 392.390 2.812 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3[C@H](C(=O)O)NC[C@@H]32)N1 587799060 VZTJJJJPYJISPX-NJIMEUOLSA-N 397.288 2.790 0 1 GFAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587431657 PYNZGCQHBYZAIZ-QCPUYCGNSA-N 396.443 2.506 0 1 GFAF Cc1c(O)ccc2c1[C@@](C)(CC(=O)N[C@@H]1CCc3ccccc31)N[C@H](C(=O)O)C2 963548362 FIUYIRMDFCKSJA-IEGUWTFLSA-N 394.471 2.709 0 1 GFAF O=C(CC[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)NCc1nc(-c2ccccc2)cs1 206314068 OZPPKJVBZGWMDO-JZXOWHBKSA-N 398.532 2.811 0 1 GFAF Cc1[nH]c2ccccc2c1CC(=O)NCC(=O)Nc1cnn(-c2ccccc2)c1 1857754368 PKCXPUGMKNPKSF-UHFFFAOYSA-N 387.443 2.959 0 1 GFAF O=C1N[C@H](O)c2c1c1c(c3c2=c2cccc(Cl)c2=N3)N=c2c(Cl)cccc2=1 2356311757 NZBXKTAJQOHRPE-LJQANCHMSA-N 394.217 2.831 0 1 GFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C 2356319438 GJORWROGMGCRDL-JWHCKXFMSA-N 378.557 2.963 0 1 GFAF CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@H]3CCC(=O)N3)ccc21 3246018 UMVPKJUKNYUJFC-MRXNPFEDSA-N 379.416 2.575 0 3 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N2CCOCC2)cc1 4045537 IHSMNOPFDKLFIV-IEBWSBKVSA-N 385.489 2.765 0 1 GFAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCO 4054913 MSGGVNBZGSUEPZ-MJGOQNOKSA-N 388.851 2.939 0 1 GFAF CCCCn1c(=O)c(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c(O)c2cccnc21 100759265 DIIRBIJCNVSJFE-KBPBESRZSA-N 385.464 2.684 0 1 GFAF O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1 28380872 ITIXNUZFXYCYOE-JABKGTPHSA-N 390.476 2.950 0 1 GFAF O=C1c2cc3c(cc2OCN1CCc1ccccc1F)C(=O)N1CCC[C@@H]1O3 72173373 OEKRPISMFSXWBH-IBGZPJMESA-N 382.391 2.815 0 1 GFAF CO[C@H](CN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O)c1ccccc1 72126109 BNKYRLATACYXMN-UXHICEINSA-N 394.427 2.821 0 1 GFAF C[C@H]1CN(c2cc(-c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)ncn2)CCO1 225572316 GUTVQGWZJWMWCA-LBPRGKRZSA-N 393.426 2.785 0 1 GFAF Nc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@@H]4O)cc2)cn1 49115665 IUBBNLSAUVQIOG-SFHVURJKSA-N 391.427 2.609 0 1 GFAF CC(=O)O[C@H](C/C(C)=C/CC/C(C)=C/CC/C(=C/CO)CO)[C@H](O)C(C)(C)O 238782463 DBAHGLBNNDLYHN-SPDWGXOZSA-N 398.540 2.804 0 1 GFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cccc(OC)c1 95894783 DVBSRULSALQOGV-FDFHNCONSA-N 395.503 2.964 0 1 GFAF COc1ccccc1COC(=O)[C@@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@H]12 377814346 GYNABIOBELLOFX-DYVFJYSZSA-N 387.803 2.769 0 1 GFAF CCOC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12 299834951 WMATVRCFAUYCCA-UHFFFAOYSA-N 391.387 2.742 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)[C@H](C(=O)O)[C@H](C(=O)O)C1 587491366 UNAPKHOJESFBBA-JFYRATSTSA-N 376.405 2.880 0 1 GFAF COc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2n1 587113820 MBIHJSWWWOJRDI-UHFFFAOYSA-N 375.314 2.687 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(CSC(C)(C)C(=O)O)[nH]c2c1 586958318 BIBBKYHJXUESQT-UHFFFAOYSA-N 385.511 2.690 0 1 GFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)C2 587247469 SHENTFMJGUSCIV-QHCPKHFHSA-N 391.519 2.666 0 1 GFAF COC(=O)[C@]1(C)COCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619562 YCPQOKONMUZFGV-ORYQWCPZSA-N 384.384 2.692 0 1 GFAF Nc1ncnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 586966220 JUANIEHOWPBBON-UHFFFAOYSA-N 378.465 2.745 0 1 GFAF COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587399194 JHHYNXBMIKSYRI-NRFANRHFSA-N 383.400 2.788 0 1 GFAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](Cc3nc4cccnc4[nH]3)N12 962656741 BAYIJLDQGGFOAL-JTSKRJEESA-N 387.443 2.889 0 1 GFAF COc1ccc(Cl)c2c1CCN[C@]21C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 963260578 YNAJJJQDUPNBJB-YJYMSZOUSA-N 396.871 2.784 0 1 GFAF CCn1c(=O)c2c(nc(NC3CCCC3)n2Cc2ccc(O)cc2)n(CC)c1=O 12360818 GYEWFSWZUVZOMC-UHFFFAOYSA-N 397.479 2.508 0 1 GFAF COc1cc2nc3c(c(N)c2cc1OC)CC[C@H](CNC(=O)c1ccco1)C3 13528628 SGZPGIWGYCHZFH-LBPRGKRZSA-N 381.432 2.962 0 1 GFAF Cn1cccc1C(=O)Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 13589861 VSMCKEZEQRAHRC-GOSISDBHSA-N 391.427 2.703 0 1 GFAF COc1cccc2sc(Cn3nc(CC(=O)O)c4ccccc4c3=O)nc12 13860742 PYBRUIGJEUJNOB-UHFFFAOYSA-N 381.413 2.690 0 1 GFAF Cc1ccc(Cn2cncc2C[C@H](N[C@@H](CC(C)C)C(=O)O)C(=O)O)cc1C 1549631 ZPCCUXJUQDHHEZ-OALUTQOASA-N 387.480 2.633 0 1 GFAF CN[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)OC 26266279 AVLCOLQZUCMSGK-GOSISDBHSA-N 383.448 2.647 0 1 GFAF COC(=O)[C@@H]1Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2OC1=O 27085334 FLYQSGPFIBLADM-HNNXBMFYSA-N 396.399 2.594 0 1 GFAF Cc1nc2c(C(=O)N3CCN(C)CC3)cnn2c(C)c1Cc1ccc(Cl)cc1 20682395 PSIJMUQDOZPRBE-UHFFFAOYSA-N 397.910 2.978 0 3 GFAF Nc1cc(N2CCN([C@@H](CN3CCCCC3)c3cccc(F)c3)CC2)ncn1 219304883 QYFWKAAHEMXBJV-IBGZPJMESA-N 384.503 2.547 0 1 GFAF CNC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C(=O)NC)C3CCCCC3)o2)cc1 45254387 QZURNMPULJLKEK-IBGZPJMESA-N 397.475 2.731 0 1 GFAF O=C1CN(Cc2ccccc2)C[C@H]2[C@@H](c3ccc(-c4cccnc4)cc3)[C@H](CO)N12 95866914 OTHCUXKQWPEOHO-SONWIMMPSA-N 399.494 2.920 0 1 GFAF O=C(O[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCCCN1C2=O)N1CCN(c2ccccc2)CC1 95570940 VBQMMEXSTHWJJH-VBSBHUPXSA-N 383.492 2.735 0 1 GFAF CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 95794053 HWEXDNTWVIPSOT-NHCUHLMSSA-N 379.504 2.819 0 1 GFAF C[C@]1(C2CCS(=O)(=O)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610285 BJLZRFYKZQPXBO-FXAWDEMLSA-N 388.441 2.937 0 1 GFAF CCOC(=O)COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)OCO2 587407866 JJVQEHVKNDDVLM-QGZVFWFLSA-N 399.399 2.954 0 1 GFAF CC(=O)C[C@]1(c2ccc3c(c2)OCCO3)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963031973 PCJWDXAULDICGS-NPMXOYFQSA-N 392.455 2.734 0 1 GFAF CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 207741484 BHAPXXJSSOGUFH-UHFFFAOYSA-N 380.510 2.691 0 1 GFAF Cc1ccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)cc1 1772647768 MGZYPRKAXXRABU-FHWLQOOXSA-N 385.537 2.903 0 1 GFAF CC(=O)N1CCC(N2C(=O)C(C)(C)c3cnc(Nc4ccccc4)nc32)CC1 1772608364 LSVRCIGRHYCMKJ-UHFFFAOYSA-N 379.464 2.855 0 1 GFAF CCC(=O)N/[S@@](=N/S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 5757899 QQDLLWKHFAEWNP-LJQANCHMSA-N 377.702 2.946 0 1 GFAF O=C(O)[C@H]1CCCC[C@H]1C(=O)OCCCCOC(=O)[C@@H]1CCCC[C@H]1C(=O)O 5101351 CAOCATZETDLGIH-QKPAOTATSA-N 398.452 2.635 0 1 GFAF CN1CCN(C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 19589758 WKJVNVVTYAEBNB-UHFFFAOYSA-N 386.399 2.622 0 3 GFAF COc1cccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)c1 169710044 DVWSMCWJINBHTP-UHFFFAOYSA-N 375.432 2.882 0 1 GFAF Brc1cnc(NCC2CCNCC2)nc1Nc1cc(C2CC2)[nH]n1 203008695 SULIWOQPMRZAFY-UHFFFAOYSA-N 392.305 2.995 0 1 GFAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@H]2CN(c3ncccn3)[C@H]2C1 205435066 WRCGNLRXMOCUCI-WFASDCNBSA-N 378.263 2.814 0 1 GFAF O=C(N=c1cc[nH]cc1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F 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Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1C1CC1 221217346 RZLSUZJLOTVTDI-PFWSDMIYSA-N 390.491 2.574 0 1 GFAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc4ncccc4c3)c3c(N)ncnc32)C1 95578164 SVYZEVGLBXERTF-MRXNPFEDSA-N 399.458 2.973 0 1 GFAF COc1cc([C@@H]2N(c3nccs3)C(=O)[C@@H]3CCCN32)cc(OC)c1OC 250284635 QAXMCCZMKUPNOC-LRDDRELGSA-N 375.450 2.679 0 1 GFAF NCCOCCNC(=O)c1ccc([C@@H]2CC[C@H](c3ccccc3)C[C@@H]2O)cc1 263614788 UWDDUVCTGLMPMN-FKBYEOEOSA-N 382.504 2.804 0 1 GFAF in-vitro O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3ncncc3[nH]2)cc1 586943804 FZEJAPDGWYHRHE-UHFFFAOYSA-N 385.474 2.602 0 1 GFAF O=C(CN1CCN(Cc2ccccc2)CC1)n1ncc2ccc(Cl)cc2c1=O 587654532 LGEGUIJEPUMBHN-UHFFFAOYSA-N 396.878 2.508 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](C)NC(=O)CCC(=O)O)O2 587386381 ISAOBEVIFLPAHE-FPTDNZKUSA-N 396.443 2.807 0 1 GFAF CN1CCN(c2ccc3nc(CSc4ncccc4C(=O)O)[nH]c3c2)CC1 586967563 AXCIPXMBIZASKG-UHFFFAOYSA-N 383.477 2.700 0 1 GFAF COC(=O)c1cccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c12 587227096 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0 1 GFAF O=C1C(=O)N(CCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 22941362 GWUIEAHZLVKSHB-UHFFFAOYSA-N 383.879 2.687 0 1 GFAF C[C@@H](N)[C@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113653143 WPAYADJKYDLWGP-OLZOCXBDSA-N 384.871 2.809 0 1 GFAF CC(=O)N[C@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 29566896 FYVQEZBWAVPILU-LJQANCHMSA-N 389.450 2.534 0 1 GFAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@H]2[C@@H]1C 2356843128 NCEMRNJIGFOWAD-ANHXSQBISA-N 393.572 2.756 0 1 GFAF Nc1ncc(-c2cncc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cn1 73195678 ZGSHDYCRILIDKN-UHFFFAOYSA-N 395.366 2.940 0 1 GFAF CN(C)C(=O)c1cccnc1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1 45290994 MFZMDRCHHCCOMV-UHFFFAOYSA-N 389.419 2.996 0 1 GFAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCCO4)c1 40943096 REEDUWHSZNKIBU-LJQANCHMSA-N 381.384 2.843 0 1 GFAF Cc1ccc2c(NC(=O)C(=O)N=c3cc[nH]cc3)c(C(=O)c3ccco3)[nH]c2c1 1911574217 QIPKIFHILQEADQ-UHFFFAOYSA-N 388.383 2.694 0 1 GFAF CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)N(C)C)C3 82196101 CAQYCWKNFVWNLF-UHFFFAOYSA-N 399.417 2.525 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CCCOC1 222377030 QCWLXJUMRLWMRQ-CYBMUJFWSA-N 377.448 2.810 0 1 GFAF C[C@H]1C[C@@H]1COc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]ccc12 146456144 BYLLNEGCIQBVEM-QWHCGFSZSA-N 386.473 2.972 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3ccccn3)[C@H]2CNC(=O)CC)cc1 95895855 JQIVQIXEWIJDCO-RUZDXGLTSA-N 379.504 2.970 0 1 GFAF O=S(=O)(NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1)C1CC1 146929419 UAQRYKDFSUJIDJ-UHFFFAOYSA-N 392.912 2.848 0 1 GFAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4ccccc4C(N)=O)cc3n21 147846444 TXLLSDPMOXGDTI-GFCCVEGCSA-N 376.416 2.687 0 1 GFAF COC(=O)CC(=O)N[C@]1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 653668909 CPAGCMZOWOMHJA-HXUWFJFHSA-N 387.819 2.608 0 1 GFAF Oc1ncnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 587000216 HBRNSGOOTDJGDA-UPHRSURJSA-N 375.182 2.763 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586946101 QZXHHVLLWPBRMC-UHFFFAOYSA-N 377.319 2.737 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@]1(CC(N)=O)C(=O)O)CC2=O 587468394 FZDCQEFHVLZDLN-WOJBJXKFSA-N 375.421 2.569 0 1 GFAF CN(C)[C@@H](Cn1c(O)cc(CC(=O)O)c1O)c1cccc(Br)c1 587941898 XWQROMGTVQWIBE-ZDUSSCGKSA-N 383.242 2.592 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(O)c2[nH]1 586946800 SQVGLRINLBZEJP-CYBMUJFWSA-N 387.461 2.701 0 1 GFAF Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NC[C@@H]1CCCO1 5058093 HIFWTSOJDUKWCW-HAWMADMCSA-N 396.896 2.847 0 1 GFAF Cc1cn(C/C=C\COC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O 13491301 ZWKMAYWXOMWHPI-HJWRWDBZSA-N 390.439 2.777 0 1 GFAF C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc(F)c2)cc1)C(F)(F)F 13760133 WGQLUICMTUFYFZ-HNNXBMFYSA-N 391.342 2.910 0 1 GFAF CCn1c(/C=C/c2cccc(C(F)(F)F)c2)nc2c1c(=O)n(C)c(=O)n2C 169699047 VVBZYEBERIZTQK-CMDGGOBGSA-N 378.354 2.643 0 1 GFAF COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)C(=O)c2ccco2)cc1 2246458 RCPCFGLABKSTLI-BZUPMSHVSA-N 392.411 2.700 0 1 GFAF CON(C)C(=O)C[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C 61948204 CUIODGKGMIPFGQ-DLBZAZTESA-N 378.469 2.991 0 3 GFAF CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3C(=O)C[C@H](C)[C@H]2[C@H]3[C@]1(C)COC(C)=O 2356524855 PVAHTNYAMKYLCM-FYGWMFEUSA-N 392.492 2.676 0 1 GFAF CC(=O)O[C@H](C[C@]1(C)[C@H](C)CC=C2[C@@H]1CCCC2(C)C)[C@]1(O)COC(=O)[C@@H]1O 2356570640 QCPWZRPDZHMSDZ-CNQQXYBASA-N 394.508 2.756 0 1 GFAF CCOC(=O)c1c(NC(=O)CSc2nnc3ncccn23)sc(C)c1C 35314489 ULNORYPGRARDOW-UHFFFAOYSA-N 391.478 2.710 0 1 GFAF CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@@H](C1)[C@@H]2NS(C)(=O)=O 36286994 IIGBHFJNVWQBMB-CRPGXEFLSA-N 377.897 2.994 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@@H]3COC[C@H]3F)c2cn1)c1ccccc1 210799072 JVBCDEROAXMPTP-DJSGYFEHSA-N 384.415 2.989 0 1 GFAF CC(C)(O)[C@@H]1CC[C@](C)(O)[C@@H](COc2c3ccoc3cc3oc(=O)ccc23)O1 15215424 PIGJUYQFLILCLL-FVJLSDCUSA-N 388.416 2.988 0 1 GFAF biogenic COC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)N2CCC2)CCCC1 73196165 MBJSHFUOLNROSF-UHFFFAOYSA-N 390.505 2.732 0 1 GFAF NCCC[C@@H](N)C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)c1ccccc1 73239987 FPNWIFMBEUZINE-RTWAWAEBSA-N 390.487 2.702 0 1 GFAF Cn1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)n1 211106422 NEDBGDZTHCKDJL-UHFFFAOYSA-N 396.882 2.909 0 1 GFAF CC(C)CCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 195410541 LJJDMVUTPBDCCC-LXGFNABISA-N 388.895 2.784 0 1 GFAF CC(C)(C)OC(=O)N1C[C@@]23C[C@H](c4cccc(F)c4)[C@@H](C[C@@H]2S1(=O)=O)O3 96021276 BIPDTMRWTSJXBA-BSXFFOKHSA-N 383.441 2.790 0 3 GFAF COc1ccccc1CN1[C@@H]2CN(C(=O)C3CC3)c3ccccc3[C@@H]2[C@@H]1CO 95893292 VLIBVXHFXFJLET-URVUXULASA-N 378.472 2.781 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO2 95688550 NNLGSVIPEFKMPH-ZRGWGRIASA-N 391.512 2.519 0 1 GFAF CC(=O)N[C@H](C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 143494718 QHIWHBLHRLVQBR-GFCCVEGCSA-N 377.448 2.767 0 1 GFAF CCN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C(=O)OC)C1 587581112 GEKRMEWKWCZWNZ-QRFQSNJMSA-N 397.427 2.607 0 1 GFAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O 587450351 TYHBAFHAXUAQTD-YCRPNKLZSA-N 397.452 2.864 0 1 GFAF NC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587576053 DWXDBPYVOBVSIQ-UGKGYDQZSA-N 391.379 2.959 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(Br)ccnc2[nH]1 587229838 CLOWJUUVDTUHEG-QWRGUYRKSA-N 381.274 2.757 0 1 GFAF COC(=O)[C@]1(C)COCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587619563 YCPQOKONMUZFGV-TYCQWZJGSA-N 384.384 2.692 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CN1[C@@H]3C[C@H](O)C[C@H]1C[C@@H]2C3 587591979 XPSAMUALZFJCGG-HSQDQJAKSA-N 393.439 2.710 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)c(C)cc3[nH]2)[C@H](C)O)cc1 586936058 GXMAOKYUMRMELK-UGSOOPFHSA-N 389.477 2.589 0 1 GFAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)c(F)cc3[nH]2)c1 587260654 XZAWSEFUOLJUGZ-LBPRGKRZSA-N 377.217 2.806 0 1 GFAF CCOC(=O)C[C@@]1(c2ccc(C)o2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219196 DCQSCIUYRGTXGA-PGRDOPGGSA-N 394.427 2.932 0 1 GFAF Cc1cc(C(=O)Nc2csc([C@@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)no1 1772643763 CIQZEKVVKGDGEG-HEFKBWKQSA-N 393.494 2.583 0 1 GFAF Cc1c(F)c(N2CCNCC2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1 13649781 FTCDLPYLHNMBFV-UHFFFAOYSA-N 379.819 2.545 0 1 GFAF CC[C@@]12C=CCN3CCc4c(n(c5cc(OC)ccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 14829333 HTWQPFKEAAOZFQ-NNWRFLSQSA-N 382.460 2.737 0 1 GFAF CCS(=O)(=O)c1ncc(CN(C)Cc2ccccn2)n1Cc1ccccc1 15064198 QQFBPVGKEJMVMF-UHFFFAOYSA-N 384.505 2.752 0 1 GFAF O=C(Nc1ccc(C(=O)N2C[C@H]3COC[C@@H]3C2)cc1)N1Cc2ccccc2C1 166527024 GADLDBMQWLXTGR-OALUTQOASA-N 377.444 2.953 0 1 GFAF CCCOc1cccc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)c1 209050353 YOMBQQMRXLBASO-LIVBEALHSA-N 382.464 2.622 0 1 GFAF O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 1379423 MMLAEACVXKIRJW-MRXNPFEDSA-N 385.395 2.867 0 3 GFAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cc(F)cc(F)c12 3591452 IRVNUDODBOCUTJ-UHFFFAOYSA-N 397.381 2.613 0 1 GFAF Cn1c(C(=O)O[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccnc2)cc2sccc21 4924022 WEKVSVGTEWJQEU-KBXCAEBGSA-N 399.472 2.828 0 3 GFAF O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccccc2)[C@H]1C(=O)c1cccs1 100278392 LYXXKCLCFLXWRE-ROUUACIJSA-N 393.468 2.986 0 1 GFAF O=C1NC[C@H](Cc2ccccc2)C(O)=C1C(=O)Nc1ccc(-n2ccnc2)cc1 100076036 VMTNAWQFWSOGFD-INIZCTEOSA-N 388.427 2.612 0 1 GFAF COCC=Cc1ccc(O)c(Oc2ccc([C@H](O)[C@H](O)COC)cc2O)c1 2356400486 AMPDGYCWLBGPQE-XLIONFOSSA-N 376.405 2.590 0 1 GFAF C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)s1)CO 27431100 NXHPCPQJABQEDR-KIMFYNOWSA-N 393.505 2.905 0 1 GFAF CC(C)NC[C@@H](O)COc1ccc2c(=O)cc(-c3cc(O)cc(O)c3)oc2c1 35793281 NGUOSJCZPQFPPX-MRXNPFEDSA-N 385.416 2.609 0 1 GFAF Cn1cc(C2=C(c3cccc(NCCCO)c3)C(=O)NC2=O)c2ccccc21 49036327 PHIYRFJMMCWKIZ-UHFFFAOYSA-N 375.428 2.540 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(C)C1 95865123 GFKXEQGVBWTYHP-LJQANCHMSA-N 391.471 2.549 0 1 GFAF COc1cc(OC)c2c[n+]3c(cc2c1CO)-c1c(cc2c(c1OC)OCO2)CC3 238763838 BVFQFUHWBNGHDV-UHFFFAOYSA-N 396.419 2.597 0 1 GFAF CC[C@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc(C)c1 299885305 VGKHETIUGUCAEJ-DOTOQJQBSA-N 395.507 2.682 0 1 GFAF COc1cc2c3c(c1)O[C@@H](C(C)(C)N1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587435295 FFUGJNKCIZUVPL-HNAYVOBHSA-N 377.396 2.886 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 586946003 FNBSVNYVEZTJMN-LBPRGKRZSA-N 392.868 2.736 0 1 GFAF COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587397045 REJABXGATNVFSF-FQEVSTJZSA-N 386.404 2.508 0 1 GFAF CCOC(=O)CCC[C@]1(CC(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587399386 JQOOZGWKZQOCNB-HXUWFJFHSA-N 377.437 2.968 0 1 GFAF COc1cc(-c2nc3cccc(C(=O)O)c3[nH]2)ccc1OCC(=O)NC(C)C 587223200 MWKYREKUSGLLLA-UHFFFAOYSA-N 383.404 2.840 0 1 GFAF COc1cc2c(cc1OC)[C@@](C(=O)O)(C(C)C)N(C(=O)c1ccccc1N)CC2 963149182 SQKGEVIRSLLJFI-JOCHJYFZSA-N 398.459 2.920 0 1 GFAF CCOC(=O)[C@]1([C@H]2CCCC2=O)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962629385 HOWJOQADLZWFFT-CGSMKXTHSA-N 375.465 2.708 0 1 GFAF CC(=O)c1cc(C(C)=O)cc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963473756 TUNRNZPAQBVQSS-UGKGYDQZSA-N 381.428 2.968 0 1 GFAF COc1cc2c(c(OC)c1)C[C@H]1c3cc4c(cc3C[C@H](C(=O)O)N1C2)OCO4 1857605395 ILXIEWBFOCVCTR-DLBZAZTESA-N 383.400 2.541 0 1 GFAF COc1ccc(-n2c(=O)n(-c3ccccc3)c(=O)n2-c2ccc(OC)cc2)cc1 1652595 YHNLCRCLYNKSLY-UHFFFAOYSA-N 389.411 2.796 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1CC2=CC[C@H]1[C@]3(C)CC[C@@H](O)[C@@]1(C)CO 2356367141 WXHHJRNXCOMIHI-OWLUANBVSA-N 378.509 2.577 0 1 GFAF Cc1cc(=O)n(Cc2nc3cc(C(F)(F)F)ccc3s2)nc1CC(=O)O 3783056 RNDNMIOYEBTJDS-UHFFFAOYSA-N 383.351 2.856 0 1 GFAF CO[C@]12CC(C)=CCC[C@H](C)[C@H]3CC[C@@](C)(O3)[C@H](O)[C@@H](O)C1=C(C)C(=O)O2 2356455518 XNCQSLQRDRRFCP-USQDLVDCSA-N 380.481 2.628 0 1 GFAF CCn1c(C(=O)N2CCC[C@H](C(=O)NCCCOC)C2)cc2sccc21 8605003 QOUUGTGZMCPLCM-AWEZNQCLSA-N 377.510 2.728 0 1 GFAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 58602566 BRAUMBYHJTYHKU-RKIRAFQNSA-N 379.412 2.885 0 1 GFAF CCCNC(=O)c1cc([C@@H]2CCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)on1 61897321 NGRRAGGCPDDKBR-MRXNPFEDSA-N 398.463 2.793 0 3 GFAF C[C@H](CCCCCCCCC[C@H](O)CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356513168 UXIWWNCPRZIUAB-AFFULRRLSA-N 390.517 2.595 0 1 GFAF COCCNC(=O)[C@]1(C)CCCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 61908445 KVKZMNFUYRJCOF-JOCHJYFZSA-N 384.524 2.854 0 3 GFAF CC(C)[C@H](c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1 20098304 YRLNURRTUBIYLQ-GOSISDBHSA-N 386.500 2.926 0 3 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1[C@H](O)C2=CC[C@H]1[C@]3(C)CCC[C@@]1(C)CO 2356739309 QFBYYXGJRJFYQU-HKOKXGGJSA-N 378.509 2.577 0 1 GFAF C[C@@H](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O 27209278 COJPBCUXYWRHHK-ZDUSSCGKSA-N 380.314 2.817 0 1 GFAF O=C(O)COCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 72128515 PNUSEQHIMPKTMN-UHFFFAOYSA-N 396.487 2.828 0 1 GFAF COc1cc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)ccc1Cl 34096558 BRFQMZIDDPTDFT-UHFFFAOYSA-N 375.856 2.549 0 1 GFAF CCCCNC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccccc1C 136318614 OKXFCHOBBVADAO-UHFFFAOYSA-N 384.509 2.975 0 1 GFAF CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)C1 82204006 MPVPPQZRPZUUSS-RANZSIQMSA-N 375.517 2.505 0 1 GFAF CN(C)CCCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085527 OYWXOBFZBMNIRH-HNNXBMFYSA-N 391.493 2.893 0 1 GFAF O=C(CCCCCCCCc1ccccc1)OC[C@@H](O)COP(=O)(O)O 1911579509 IUHMAOXAWOLSIH-QGZVFWFLSA-N 388.397 2.973 0 1 GFAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]([C@H](O)C(=O)[C@@H](C)[C@]23CC[C@]2(C=COC2)O3)C1(C)C 96085913 PHNDFJBMMYOJPB-IYANZZNRSA-N 392.492 2.772 0 1 GFAF Cn1ccc(C(=O)N(C)[C@H]2CC[C@H]([C@H](N)Cc3cc(F)ccc3F)CC2)n1 254015373 GKRYDWZPJSMUJG-MZMPZRCHSA-N 376.451 2.899 0 1 GFAF NC(=O)O[C@@H]1CCCN([C@H]2CC[C@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 261179296 VQWNDNUDIOMNPV-VVHMCBODSA-N 381.467 2.953 0 1 GFAF COC(=O)c1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586637 JDFVWNVRPMKELJ-LPHOPBHVSA-N 378.340 2.672 0 1 GFAF Nc1c(O)cccc1[C@]1(C[C@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587507921 DGRNNGJROLTAPJ-AOMKIAJQSA-N 396.443 2.516 0 1 GFAF COC(=O)C(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587803439 APAXRHSOSBCLDG-XYZCENFISA-N 384.245 2.860 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nnnn3c2)N1 587799398 YXZZBTIQQSORMT-JDNHERCYSA-N 376.233 2.824 0 1 GFAF CC1=C(c2ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)NNC(=O)C1 587154842 SMLFPWSZTMJXCJ-SPLOXXLWSA-N 377.423 2.799 0 1 GFAF COc1ccc2c(c1OC)[C@](Cc1nc(N)n[nH]1)(c1ccccc1)N(C)[C@H](C)C2 962576141 WNAAEVVHIJLICD-PEBXRYMYSA-N 393.491 2.767 0 1 GFAF CON1CCC2(CC1)N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962922903 KOIQYNFLMFTITC-IBGZPJMESA-N 384.432 2.636 0 1 GFAF Cc1cnc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cn1 963150697 RXUIMTSZFADNCI-STQMWFEESA-N 376.438 2.577 0 1 GFAF CO[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C(C)C)c1O 1772630328 QZJVBOHJRNIURB-DGCLKSJQSA-N 390.889 2.917 0 1 GFAF CC(C)=C[C@H]([C@]12C[C@H](CO)N[C@@H]1Nc1ccccc12)S(=O)(=O)c1ccccc1 205718113 CKERSPCCJZLLLN-XUFNMVPLSA-N 398.528 2.839 0 3 GFAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@H]1c1cccc(Cl)c1 1857598372 RVFWMPGFWCBERG-KRWDZBQOSA-N 393.852 2.620 0 1 GFAF CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)[C@@H]1CCC(=O)N1)c1ccccc1 4571450 NJVYCAJEZSHBDW-PGRDOPGGSA-N 385.508 2.916 0 3 GFAF Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)c1 4884210 OJXGRQFEJPNWQD-UHFFFAOYSA-N 388.445 2.550 0 3 GFAF CCO/C(O)=C1\SC[C@@H](C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)N=C1C 103533344 RGWAGRFRXKORFR-WFWFHEKFSA-N 383.558 2.811 0 1 GFAF Cc1ccc(-c2ncc(C(=O)N3CCNC(=O)C3)nc2-c2ccc(C)cc2)cc1 28900434 GBEGOUHZHBIXNB-UHFFFAOYSA-N 386.455 2.999 0 1 GFAF OC[C@H]1[C@H](Cc2ccnc(-c3cccnc3)n2)[C@@H](NCC2CCCCC2)C[C@H]1O 2356462210 JXUBJTNCLGIIGI-MYGLTJDJSA-N 396.535 2.609 0 1 GFAF Cc1c(C(=O)NCc2ccc(Br)cc2)[n+](=O)c2ccccc2n1O 64426607 VFDXCJFZZOAPCU-UHFFFAOYSA-O 389.229 2.794 0 1 GFAF CCc1cc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cs1 72183039 GAYCZOAOOLHOPO-HXUWFJFHSA-N 377.473 2.798 0 1 GFAF NCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085389 SNCDCXUVVSCFSV-SFHVURJKSA-N 379.416 2.601 0 1 GFAF c1ccc(CN[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@@H]23)cc1 25431830 RLHWYBNVSMIEOK-LCLWPZTBSA-N 394.500 2.942 0 1 GFAF biogenic CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(Cl)c3)no2)CC1 147412325 GNVYVNIHYWYJOU-VDISTLRHSA-N 384.889 2.910 0 1 GFAF C[C@H](NC(=O)[C@H]1C(=O)N(CCO)[C@@]2(C)C[C@H]1c1ccccc1O2)c1ccccc1 251528007 MFKFSVAFSUHGOG-SBNKCGQISA-N 394.471 2.597 0 3 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N2CCOCC2)N1 587764336 DLUVWMYZPVDFSW-GTNSWQLSSA-N 385.277 2.587 0 1 GFAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587142288 RSBBYCLEXSGRLG-UHFFFAOYSA-N 375.303 2.915 0 1 GFAF CN(c1ccc(-c2csc(-c3ccc(C(N)=O)cc3)n2)cc1)S(C)(=O)=O 587923995 XFSFSPSLFQOZKK-UHFFFAOYSA-N 387.486 2.972 0 1 GFAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1CO 13589007 YWWQYMDBKBDPFA-UHFFFAOYSA-N 397.378 2.698 0 1 GFAF CN1C(O)=C(C(=O)Nc2ccccc2Cl)c2cc(F)ccc2S1(=O)=O 13605538 KHTSFNITKNINHC-UHFFFAOYSA-N 382.800 2.979 0 1 GFAF CN(C)C(=O)Cn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737494 VNFCLRHXKBVXLN-UWJYYQICSA-N 394.500 2.711 0 1 GFAF CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NC(C)C)c(C)c23)c1 14974223 RELNTJYHSYJKCZ-UHFFFAOYSA-N 396.451 2.519 0 1 GFAF CC1(C)Oc2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cc2NC1=O 1857645469 ZIRPXJCYSSUNOF-CYBMUJFWSA-N 386.379 2.920 0 1 GFAF COc1ccccc1N1CCN(CCN2C(=O)C[C@H](C3CCCCC3)C2=O)CC1 101211176 OPEFAFJPXBCOEF-LJQANCHMSA-N 399.535 2.773 0 1 GFAF O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-] 28861830 DGBWTDCILDELEX-UHFFFAOYSA-N 392.211 2.968 0 1 GFAF COC(=O)[C@H](C[P@@](=O)(OC)c1ccccc1)NC(=O)OCc1ccccc1 26578050 KSCTWFNVFQFHTE-CBZJRKILSA-N 391.360 2.704 0 1 GFAF CN(Cc1ccc(F)nc1)c1ccc2ncc(-c3ccc(C(N)=O)cc3)n2n1 103207219 TWMSTMZMHQHVKA-UHFFFAOYSA-N 376.395 2.666 0 1 GFAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)C1(O)CC1 118389327 AWZMRQLNTJDDRU-MRXNPFEDSA-N 399.401 2.812 0 1 GFAF CN1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)CC1 73156181 NZTKTKHFBAIZNM-UHFFFAOYSA-N 378.299 2.941 0 1 GFAF COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646797 GBQHDHMFTXPYAM-CABCVRRESA-N 384.384 2.727 0 1 GFAF biogenic Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@@H](O)C3)n2)n1 224849762 QEULBJUCNBXCDE-MRXNPFEDSA-N 387.447 2.542 0 1 GFAF CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3CCCC3(C)C)CC2)c2ccccc21 49051408 RPHDOCBCOFZZFY-LJQANCHMSA-N 384.524 2.765 0 1 GFAF CC(=O)[C@@H](C)N(CC(F)(F)F)C1=C[C@H]2C(C(F)(F)F)=CC(=O)N[C@H]2C=C1 195194787 FZELBRBDZPJUMZ-WLTAIBSBSA-N 382.304 2.885 0 1 GFAF O=C(/C=C/c1cccn(C/C=C/c2cccc(Br)c2)c1=O)NO 143792200 XBIQPOPTXUPDKV-LDTZJAMMSA-N 375.222 2.843 0 1 GFAF Cc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n(C)n1 144645932 RRRBISGEVSJFGC-MRXNPFEDSA-N 381.436 2.911 0 1 GFAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3C)cc1)[C@H](CO)N2C(C)=O 95668384 IQYKJSFBOZGNLR-JTHBVZDNSA-N 392.499 2.960 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587835486 PDURMGREASPCDO-ANTHHZPCSA-N 386.261 2.917 0 1 GFAF CN1CCN(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587349174 YEKXLYYFEGGGHT-IRLDBZIGSA-N 384.451 2.896 0 1 GFAF Cn1cc(-c2ccc3c(O)nc(O)nc3n2)cc1C(=O)C(Cl)(Cl)Cl 587365857 HYBZLGLAWUGFHS-UHFFFAOYSA-N 387.610 2.994 0 1 GFAF CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587396579 UJXXCEWQRDKOEP-JPYJTQIMSA-N 394.471 2.976 0 1 GFAF COc1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2n1 586939256 ZSLQJZDLESUXEX-CQSZACIVSA-N 392.506 2.739 0 1 GFAF Cc1cnc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 587134348 OQRCLHTZDPOVPS-UHFFFAOYSA-N 390.774 2.816 0 1 GFAF O=C1CSC[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)N1 587042828 HLXLCZWOOAEYEO-VIFPVBQESA-N 391.088 2.992 0 1 GFAF Cn1ccnc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962915750 BKPLXOCZSHAMDW-GHTZIAJQSA-N 379.416 2.780 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN1CCC[C@H](NCc2cc(F)cc(F)c2)C1 1772595792 XHFWQFUUEFWIKC-SFHVURJKSA-N 399.441 2.815 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC[C@]3(CCCN3)C2)cc1)N1Cc2ccncc2C1 166222008 QLIAJLCTEZTWQI-JOCHJYFZSA-N 391.475 2.597 0 1 GFAF C[C@H](Cc1cc2ccccc2[nH]c1=N)C(=O)NC[C@@]12CCCO[C@@H]1CCOC2 1857607121 PHKAPBRNTVXSDM-YIFZBPKDSA-N 383.492 2.528 0 1 GFAF COc1cc([C@@H]2C(=O)NC(=O)N2c2ccc3[nH]ccc3c2)cc(OC)c1OC 1857645377 XCHXISMFEOSPDV-QGZVFWFLSA-N 381.388 2.991 0 1 GFAF CS(=O)(=O)N(C[C@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)C1CC1 148223586 LLQHRNDLBMDQHR-OAHLLOKOSA-N 394.443 2.858 0 1 GFAF O=C(O[C@@H]1C=C[C@@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1)c1ccccc1 103300263 YTSNWZDQHQNOFZ-WOJBJXKFSA-N 388.423 2.785 0 1 GFAF CNC(=O)CN1CCC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1 28896496 JMOMBPSAYLGZAN-ZDUSSCGKSA-N 398.898 2.901 0 1 GFAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(OC)c3)C2)CC1 73156160 CNCZYARBRUPEET-QGZVFWFLSA-N 389.496 2.510 0 1 GFAF O=C(NCc1ccccc1)[C@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 95571417 FKFQCKLVHPHRKZ-JOCHJYFZSA-N 387.439 2.860 0 3 GFAF COC[C@@H]1COc2cc([C@@H](O)[C@H]3CCCN(Cc4ccccc4)C3=O)ccc2O1 299847030 DSQCPOXDBGGZLE-WOIUINJBSA-N 397.471 2.945 0 1 GFAF COC(=O)c1ccccc1CN1CCN(C(=O)COc2ccccc2C)CC1 653704581 DUGKWUIQCHCWPA-UHFFFAOYSA-N 382.460 2.505 0 1 GFAF COC1=COC(C(=O)O)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587833870 PPQUXQQNMLERAS-ZKANADHPSA-N 384.201 2.804 0 1 GFAF CC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(OCC(=O)O)=CO1 587617498 PXRSAMYIIUXFIX-GHTZIAJQSA-N 396.351 2.969 0 1 GFAF COc1ccc([C@@]2(CCC(=O)O)NCCc3ccc(O)cc32)c(OC)c1OC 963340794 IHTPFZJYGVZTJL-OAQYLSRUSA-N 387.432 2.672 0 1 GFAF CCCN1C(=O)[C@@](O)(C[C@]2(C)NCCc3c(C(=O)O)cccc32)c2ccccc21 963129010 DHVMYDBDCZNZHW-XZOQPEGZSA-N 394.471 2.780 0 1 GFAF CCOC(=O)CC[C@]1(c2ccc(CN3CCC3)cc2)c2c(cnn2C)CCN1C 963955998 UFJBVPDTLOWOAV-QHCPKHFHSA-N 396.535 2.701 0 1 GFAF CC1=C[C@]2(C(C(=O)O)=NN1c1ccc(Cl)cc1)c1c(cnn1C)CCN2C 963956341 WXNSZGBHKIUTHN-IBGZPJMESA-N 385.855 2.621 0 1 GFAF O=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1CC[C@H](F)C1 209478860 AZJYTYKUFGKDMH-HNNXBMFYSA-N 377.851 2.708 0 1 GFAF O[C@H]1CCCCCCCN=C2N=c3c(c(-c4cccnc4)cn3CCCC1)=CN2 1772597243 XBFYWJOKBDZTSR-IBGZPJMESA-N 393.535 2.752 0 1 GFAF CS(=O)(=O)c1ccc(-c2cc(CO[N+](=O)[O-])nn2Cc2ccccc2)cc1 13560518 AISVKZJGJOBXKV-UHFFFAOYSA-N 387.417 2.710 0 1 GFAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@@H](CO)c2ccc(Cl)cc2)CC1 207097493 ZZTLBDKHELGPGP-KRWDZBQOSA-N 397.928 2.857 0 1 GFAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@@H]1c1cccc(Cl)c1 1857585582 BXUAUPLCCNHISG-QGZVFWFLSA-N 393.852 2.620 0 1 GFAF COc1cc(CNCCN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 60833547 LDXKONPNYPZIOS-UHFFFAOYSA-N 399.535 2.620 0 1 GFAF C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](CNCC)C3)c(F)c21 25963576 QDHPRAPAONIUPQ-LLVKDONJSA-N 377.391 2.514 0 1 GFAF Cc1cc(OS(=O)(=O)O)c2c(c1)N1CCCCN1C2=C1C=C[C](O)C=C1 2356862579 VSHOGHZRODUJTC-UHFFFAOYSA-N 375.426 2.749 0 1 GFAF O=C(c1ccncc1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1 68267321 ZPOKSLXILOTPCR-UHFFFAOYSA-N 389.390 2.651 0 1 GFAF Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)CNCc1ccccc1F)CC2 72108694 UHJRXNLZTJGLSU-NYHFZMIOSA-N 387.451 2.551 0 1 GFAF CC1(C)Oc2ccc(-c3cnc4[nH]ccc4c3)cc2[C@@]2(COC(N)=N2)C12COC2 220966740 FIXVOAGHXZBUQU-QFIPXVFZSA-N 390.443 2.958 0 1 GFAF CN(C)CCc1cc2c(cc1/C=C1\OC(=O)c3c1ccc1c3OCO1)OCO2 195765629 XTKRQNDALPUYMD-PXNMLYILSA-N 381.384 2.917 0 1 GFAF CO[C@@](C)(C(C)C)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 95583451 PXRPXQKBRGMQJJ-IERDGZPVSA-N 398.486 2.998 0 1 GFAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(O)ccc2o1 95575012 YRSRVRMUNDNIIH-GHTZIAJQSA-N 377.444 2.969 0 1 GFAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1 144384054 ZEEYJUBLBPXOGV-UHFFFAOYSA-N 388.493 2.759 0 1 GFAF O=C1Cn2c(nc3cc([N+](=O)[O-])ccc32)CN1C[C@@H]1CCCN2CCCC[C@@H]12 43959420 WUALZOSXAZASCL-YOEHRIQHSA-N 383.452 2.551 0 1 GFAF biogenic N[C@@H](Cc1cc(Cl)c(NC(=O)c2ccccc2)cc1CCC(=O)O)C(=O)O 299829193 UDBKTEWAZDZRDW-HNNXBMFYSA-N 390.823 2.564 0 1 GFAF CN=c1[nH]c(N)c([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587448786 CJCBOJKXUDGNET-SPLOXXLWSA-N 393.468 2.889 0 1 GFAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)C[C@@H]1C(=O)O)[C@@H](C2)C3=O 587437923 LZTGJFAAZCIAFQ-YZZKKUAISA-N 393.439 2.788 0 1 GFAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)cc1 587970504 IQYWCLJAWCHVTR-PHZGNYQRSA-N 396.355 2.641 0 1 GFAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587249334 HZIQXYLYOPOAGB-UHFFFAOYSA-N 399.350 2.728 0 1 GFAF CC(=O)OC[C@@]1(c2ccc(Cl)cn2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963038608 WTICEYGPDNGUKE-RNODOKPDSA-N 385.851 2.595 0 1 GFAF O=C(O)Cc1nn(Cc2nc(-c3ccccc3Cl)no2)c(=O)c2ccccc12 13449016 CZOZCXSPULCHMK-UHFFFAOYSA-N 396.790 2.775 0 1 GFAF CN1CC[C@@H](CNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)C1 166123973 GMCIDTDQCZRYHQ-INIZCTEOSA-N 378.476 2.916 0 1 GFAF CC(C)=CCC[C@H](C)C=CC=C(C)C(=O)NC(=N)NCCCCNC(=N)N 2356486862 HKFHCLUMLQKJJJ-INIZCTEOSA-N 376.549 2.775 0 1 GFAF CC[C@@H]1C=CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(NC(=N2)N34)O[C@H](C)CC[C@H]5O)O1 2356508060 PVERDUFTDYLFAY-UHEWEVKMSA-N 375.513 2.670 0 1 GFAF O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCC(N2CCCCC2)CC1 6805309 DVEODOGILLCPDS-UHFFFAOYSA-N 380.492 2.919 0 1 GFAF CC1CCN(C(=O)[C@@H](Cc2cccc(C(=N)N)c2)NC(=O)OC(C)(C)C)CC1 7260649 YFSVEQAACJQEOL-QGZVFWFLSA-N 388.512 2.665 0 1 GFAF Cc1cccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2N)c1C 9431233 FNXDUFCIUIOKEN-UHFFFAOYSA-N 376.376 2.912 0 1 GFAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 31357238 CDMVQQAHEQVSMF-MINMNCFMSA-N 390.520 2.577 0 1 GFAF O=C(NCc1ccccc1C(F)(F)F)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1 73157152 GZTZNPOVVADJOY-IYBDPMFKSA-N 390.409 2.686 0 1 GFAF CCOC(=O)C1=C(C)NC(=O)N([P@@]2(=O)NCCCO2)[C@@H]1c1ccccc1 84724139 UUNDPPLPIIFODK-PVPMGCCUSA-N 379.353 2.708 0 1 GFAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@@H](CO)c3cccc(F)c3)c2)n1 89469300 NVTRGVKCJGNMRT-KRWDZBQOSA-N 383.427 2.814 0 1 GFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 95894264 VPTFOXPNWYLTKZ-SLFFLAALSA-N 394.475 2.987 0 1 GFAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc(OC)cc2)ccc1=O 25412936 QVGLWUBKCWHFQQ-WBVHZDCISA-N 382.460 2.506 0 1 GFAF biogenic CCCCc1cc(=O)oc2cc(OCc3nc4c(O)nc(O)nc4[nH]3)ccc12 586918942 UFXKXMYKMIQBPV-UHFFFAOYSA-N 382.376 2.792 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2S(C)(=O)=O)N1 587851304 VNAAWVVZRYRZRJ-TURNYIBQSA-N 376.291 2.915 0 1 GFAF Cc1noc2c1c(=O)n(-c1ccccc1)c(=O)n2CC(=O)c1ccc(Cl)cc1 957602576 GMLXQBYQMNBKAT-UHFFFAOYSA-N 395.802 2.985 0 1 GFAF O=C(CCN1CCN(Cc2ccccc2)CC1)c1cc2ccc(O)cc2oc1=O 1857581816 TWCMPWOHJRZEFZ-UHFFFAOYSA-N 392.455 2.889 0 1 GFAF O=C(O)c1cnn(-c2ccccc2)c1NC(=O)c1cc2ccccc2oc1=O 1857769968 KXWNHDXEQHABQF-UHFFFAOYSA-N 375.340 2.929 0 1 GFAF C[C@@H]1O[C@H](OCCCCCCCCCCC[C@H](O)CC(=O)O)[C@H](O)C[C@H]1O 2356345352 OEUPNEHVNNGMKN-IPLXSBJHSA-N 390.517 2.596 0 1 GFAF NC(=O)c1ccccc1NC(=O)COC(=O)CSCc1cccc(Cl)c1 7982826 CHWPVDXISDMHHO-UHFFFAOYSA-N 392.864 2.854 0 3 GFAF CC[C@H]1CCCCN1C(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(C)c21 8604849 UOVWTVPANBANHK-LBPRGKRZSA-N 384.402 2.853 0 1 GFAF Cc1cc(NC(=O)CSc2nc3nncc-3c(O)n2-c2ccccc2C)[nH]n1 103538354 HRJIMXZYXHXHKD-UHFFFAOYSA-N 395.448 2.543 0 1 GFAF COc1ccc(CCNC[C@H](O)COC(=O)c2cccc(Cl)c2)cc1OC 25972199 GAFQSCQOPYXPFL-KRWDZBQOSA-N 393.867 2.707 0 1 GFAF Cc1[nH]c(/C=C2\C(=O)Nc3ncccc32)c(C)c1C(=O)NCCN1CCCCC1 73163992 ZQTYYGYOSQKTLD-LGMDPLHJSA-N 393.491 2.735 0 1 GFAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(OC)cc3)C2)CC1 73196422 PJYBLQXVAYMXHC-QGZVFWFLSA-N 389.496 2.510 0 1 GFAF CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccc(Cl)cc1 49036389 YYESTIOFEMZXDS-PBHICJAKSA-N 393.871 2.700 0 1 GFAF O=C(NCc1ccccc1)[C@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 199207196 JQTWJSHQIOAROT-QGZVFWFLSA-N 378.350 2.827 0 3 GFAF NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82084598 IZBUBMHTJDHBBS-AWEZNQCLSA-N 387.486 2.920 0 1 GFAF COc1cc([C@@H]2C[C@@]2(CO)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC 95596809 ZRQIJJNHVZOBLL-JTSKRJEESA-N 385.460 2.803 0 1 GFAF NS(=O)(=O)c1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1 145028827 IGJZBYFJOGZJQO-UHFFFAOYSA-N 397.435 2.795 0 1 GFAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1Cl 148099008 ATUKRKKLAVISND-QWHZDKJVSA-N 385.899 2.635 0 1 GFAF COC(=O)c1c[nH]c2ccc(NC(=O)CNC(=O)Nc3ccc(OC)cc3)cc12 95577585 QIDBTFOHLVQXJS-UHFFFAOYSA-N 396.403 2.723 0 1 GFAF COC1=C2COC(=O)[C@@H]2[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3 238762772 RJDBEBSQZKELFD-MOPGFXCFSA-N 380.352 2.820 0 1 GFAF Cc1cc2nc(CCNC(=O)c3ccc(-n4cnnc4)cc3F)[nH]c2cc1C 299858775 GXNYSBRBCFNWBW-UHFFFAOYSA-N 378.411 2.872 0 1 GFAF N[C@H](Cc1cccc(Br)c1)c1nc2c(S)nc(S)nc2[nH]1 586983634 GYVDWQZYWXUIDY-MRVPVSSYSA-N 382.312 2.935 0 1 GFAF CCc1c(-c2ccc(N3CC[C@@H](C4(N)CC4)C3)cc2)nc(O)c(C(=O)O)c1O 1772648771 PSOZOHNMYRNUHE-CYBMUJFWSA-N 383.448 2.738 0 1 GFAF CO[C@H]1CCCN(C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)C1 12431806 GPNVYWWBLQMRQS-INIZCTEOSA-N 382.464 2.906 0 1 GFAF [C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)OC[C@@H]3F)c2)nc1 169702987 ULMKBCWEMAYQPY-MAUKXSAKSA-N 389.337 2.872 0 1 GFAF COc1cccc(NC(=O)N[C@@H]2C[C@@H](c3nc(-c4ccccn4)no3)N(C)C2)c1 2356306004 YDEUJAZPFZWCJU-PBHICJAKSA-N 394.435 2.707 0 1 GFAF C[C@@H]1N[C@H](CC[C@H](CCCO)CCCCCC[C@@H](O)CC(=O)O)CC[C@@H]1O 2356316849 UMAPXMPJFAVENC-OMZCGLGVSA-N 387.561 2.833 0 1 GFAF C[C@@]12C[C@H]3Cc4nc5cc(Cl)ccc5c(N)c4[C@@H](C1)[C@@H]3N2S(C)(=O)=O 101066754 GIBJSDQKBFLJLP-RPXDRHDISA-N 377.897 2.923 0 1 GFAF COc1cc(OC)c2c(c1)OC(CN1CCCCC1)(CN1CCCCC1)C2=O 53276442 AMNUFWKDOWVXMD-UHFFFAOYSA-N 388.508 2.990 0 1 GFAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(OC2CCOCC2)nc1 117738437 QQEILOVPMZATIW-IBGZPJMESA-N 383.448 2.553 0 1 GFAF O=c1[nH]c2cc(F)ccc2n1C1CCN(C[C@@H]2COc3ccccc3O2)CC1 27894961 LTZMJMTZHDBZET-MRXNPFEDSA-N 383.423 2.946 0 1 GFAF CC(C)(C)OC(=O)NCCC(=O)Nc1cccnc1C(=O)Nc1nccs1 28338435 NOVSUZIHLBVQFX-UHFFFAOYSA-N 391.453 2.644 0 1 GFAF COC(=O)[C@@H]1CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@H]3C[C@@H]12 2356460421 UPGSFJFFXVRXIF-DIKOWXHZSA-N 384.476 2.920 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@H](OC)[C@]2(C)[C@@H]1C 2356611181 NPOXQTDQWIYLML-GMLTWURCSA-N 376.449 2.818 0 1 GFAF CCC=C[C@]12[C@@H]3C[C@@H]4[C@H]1CN[C@@H]2[C@@]1(OC(=C2OC(=O)C(C)=C2OC)[C@@H](C)[C@@H]41)O3 2356784452 OQWKLIFARYBYDS-OWRICKCFSA-N 385.460 2.627 0 1 GFAF COc1cc(C(=O)[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 13372360 RKQZQCFXPCRETA-LIRRHRJNSA-N 386.400 2.633 0 1 GFAF biogenic COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 14952891 KUIPLVUMWWQJEH-HGSOSGBHSA-N 398.503 2.880 0 1 GFAF biogenic CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC 40894148 XITALKIEGXWISA-UHFFFAOYSA-N 394.534 2.837 0 1 GFAF CS(=O)(=O)c1ccc(-c2[nH]c(S(C)(=O)=O)nc2-c2ccc(F)cc2)cc1 95605491 WLEMOPWVEYNARP-UHFFFAOYSA-N 394.449 2.690 0 1 GFAF Oc1nc(O)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2n1 587081896 XTVVFRXVFRUFET-UHFFFAOYSA-N 379.767 2.794 0 1 GFAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(C)C 586933240 NZVHGEANRNOONJ-MRXNPFEDSA-N 397.497 2.775 0 1 GFAF COC(=O)c1ccnc2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc12 587245291 SZXAAMAPZVCONT-UHFFFAOYSA-N 391.387 2.884 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cnc(Cl)[nH]c-4n3)cc12 587039445 XSNIMCGFXKXPCX-ZETCQYMHSA-N 375.845 2.706 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2 587395504 NIKTXYUSVSPXEV-XOBRGWDASA-N 390.436 2.765 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586951620 RPQOFUPKBFXCSH-UHFFFAOYSA-N 392.441 2.691 0 1 GFAF O=S(=O)(NCc1nc2ccnc(Cl)c2[nH]1)c1ccc(F)c(F)c1F 587134619 RGCBENNFSLJCNL-UHFFFAOYSA-N 376.747 2.507 0 1 GFAF O=C(O)c1ncccc1[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962890113 BTSKXOOFKDEMBZ-HTAPYJJXSA-N 392.386 2.810 0 1 GFAF COc1cc(CNC2CCOCC2)ccc1OC[C@@H](O)CN1CCCCCC1 12298951 PSQASSZMMQYHQK-FQEVSTJZSA-N 392.540 2.580 0 1 GFAF C[C@@]1(O)OC(=O)C(c2cc(F)cc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 13488609 KRTQGUUHKYUHLI-GOSISDBHSA-N 380.368 2.544 0 1 GFAF CCCOc1ccc(NC(=O)NCC)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 13755583 SSERZJAKCBZRSU-UHFFFAOYSA-N 384.440 2.562 0 1 GFAF C[C@]1(c2cc(NC(=O)c3ncc(F)cc3F)ccc2F)N=C(N)OC[C@@H]1F 169702940 FKVYNLQDLMIRRO-SUMWQHHRSA-N 382.317 2.649 0 1 GFAF N=c1[nH]c(COc2cccc(OCCCC(=O)O)c2)c(-c2ccccc2)c(=N)[nH]1 1857542971 DZUBZXHFBHYZGJ-UHFFFAOYSA-N 394.431 2.791 0 1 GFAF CCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1 1857566361 CAWKSXLLXYZDRG-DZZUKKPASA-N 377.437 2.728 0 1 GFAF CN(CCOc1ccc(C[C@H]2OC(=O)NC2=O)cc1)c1nc2ccccc2o1 3806740 KPONVTMPKZYMIO-QGZVFWFLSA-N 381.388 2.521 0 1 GFAF C[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 3991478 ALQOAWMDMFFUJK-SECBINFHSA-N 390.241 2.959 0 1 GFAF CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1[C@H](C)O 2356403523 MJYRTXCQTAXNAH-QOMHCTOQSA-N 394.552 2.899 0 1 GFAF COCCOc1ccc2c(N[C@H]3CCNC3)nc(-c3cc(F)ccc3O)nc2c1 59298168 NZVHFUVKFMFCKW-AWEZNQCLSA-N 398.438 2.941 0 1 GFAF O=C1NCCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 26934892 YCEMNWOAMQPFIH-AWEZNQCLSA-N 393.212 2.743 0 1 GFAF CO[C@H]1[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C/SC)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 100774359 ULNGGZOBSDELFB-QBAUURPMSA-N 396.505 2.904 0 1 GFAF endogenous,in-man CC[C@H](C(=O)OC)c1cc(=O)n2c(c1C(=O)OC)[C@H]1Cc3ccccc3C[C@H]1C2 27420259 XYBNRRYKRHDDET-ULQDDVLXSA-N 395.455 2.814 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CCC[C@@H](C(=O)O)[C@@]21C 2356580373 PLUOSPXAEMKKRW-WCBOTQMXSA-N 392.448 2.991 0 1 GFAF O[C@@H]1[C@H](NCc2ccccc2Cl)[C@H]2CO[C@@H](O2)[C@H]1n1cnc2ccccc21 2356597979 ATLOEUDKUOMHGR-OBKDMQGPSA-N 385.851 2.505 0 1 GFAF CC(C)(O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@@H]5CC[C@H](O)C[C@@H]5[C@H](O)C[C@@H]4[C@@H]3C[C@@H](O)[C@H]21 2356611052 HQSCGCHTEXSADB-SXOGIITBSA-N 392.580 2.965 0 1 GFAF O=C(Nc1ccccc1F)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61929568 CPVJNTLNKOZZRI-ARFHVFGLSA-N 388.420 2.871 0 3 GFAF CC(C)(C)OC(=O)N1CCCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O 72174874 ZIQZMQWQUISMRY-MRXNPFEDSA-N 383.489 2.805 0 1 GFAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(CO)c(C)c23)C1=O 138847837 VLMDCAYEZKYPJM-UHFFFAOYSA-N 386.458 2.863 0 1 GFAF C[C@@H]1C[C@@H](C)CN(C[C@H](O)CNC(=O)Nc2ccc(Br)cc2)C1 45230503 PERWFFOQCNSMAR-XJKCOSOUSA-N 384.318 2.909 0 1 GFAF Nc1nc(=O)c2[nH]c(SCC(=O)c3ccc(-c4ccccc4)cc3)nc2[nH]1 223061276 JPQMPGXXKRYOGX-UHFFFAOYSA-N 377.429 2.870 0 1 GFAF in-vitro O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCCCC3)nc(Cl)nc21 84605084 UHQKOROBLQZIRL-USNPWTNRSA-N 391.903 2.917 0 1 GFAF CC(C)C[C@H]1Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 149291657 IPOLRKPSCVSOEO-RHSMWYFYSA-N 381.270 2.813 0 1 GFAF CN(C)[C@H](C1=C(O)[C@H](c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1 95549435 MQHUSMJMGDZPKD-UNMCSNQZSA-N 393.487 2.807 0 1 GFAF CN1CCN(Cc2nc3cc(-c4c[nH]c5ccccc45)sc3c(=O)[nH]2)CC1 96909540 TZSVHEYGRIQVJJ-UHFFFAOYSA-N 379.489 2.880 0 1 GFAF COC[C@@H]1COc2cc([C@H](O)[C@H]3CCCN(Cc4ccccc4)C3=O)ccc2O1 299847027 DSQCPOXDBGGZLE-KNKQGSTJSA-N 397.471 2.945 0 1 GFAF Brc1cnc2c(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cccn12 587007632 LRZGKKXREHTOPD-UHFFFAOYSA-N 381.197 2.616 0 1 GFAF COC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586922012 KAGFGVFBIAZYAS-UHFFFAOYSA-N 384.457 2.855 0 1 GFAF Brc1c[nH]c2nccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c12 587004508 VMBPOBVNZFUGLP-UHFFFAOYSA-N 381.197 2.844 0 1 GFAF Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NC[C@H]1CCCO1 5058095 HIFWTSOJDUKWCW-WZQKQDCOSA-N 396.896 2.847 0 1 GFAF NS(=O)(=O)Oc1ccc2c(c1)C(=O)C[C@H](C13CC4CC(CC(C4)C1)C3)O2 13491346 OJPMHVDRKLRGSZ-HYSHOPAUSA-N 377.462 2.819 0 1 GFAF O=C(O)C[C@H]1CC(CNC(=O)CCNCc2ccccn2)=CCc2ccccc21 13819511 XSJSITKHPFKCRJ-LJQANCHMSA-N 393.487 2.809 0 1 GFAF O=c1cc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)[nH]c2ccccc12 19745991 FYNILRJOQQPDBD-HXUWFJFHSA-N 395.478 2.736 0 3 GFAF C[C@]12CC[C@@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCNCC1 169714055 RLBFPICNIBRUCB-IBEPOWJWSA-N 385.552 2.691 0 1 GFAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H](C)CN(C)C 766952 ZBHYHCBADIFJEA-VMRPVKRXSA-N 381.476 2.853 0 1 GFAF CC[C@@H]1[C@@H]2C3=[N+](CCC[C@@H]2O[C@]12C=C(C)C(=O)O2)C(=C1C[C@@H](C)C(=O)O1)C=C3 2356318491 UDKJIHKZUSEEJY-XPPBISAYSA-N 384.452 2.839 0 1 GFAF CC(C)[C@H](C)CCCC[C@H](O)CC[C@H](O)C[C@@H](O)CC[C@H](O)CC(=O)O 2356341692 UTDBTRDONDSBIO-BCYZHJNNSA-N 376.534 2.708 0 1 GFAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 2487266 JAKDRNSEFDRJFF-CRAIPNDOSA-N 377.529 2.595 0 1 GFAF CC[C@H](C(=O)NCc1ccccn1)n1c2ccccc2c2nc(=O)cc(C)n21 6780293 CEGKPTNELBVZMY-QGZVFWFLSA-N 375.432 2.620 0 3 GFAF CO[C@@H]1OC(=O)[C@H](c2ccc(O)cc2)[C@@H]1Cc1ccc2c(c1)C[C@H](O)C(C)(C)O2 2356421273 DPSBLYOBWXUIHM-LLMJNHHCSA-N 398.455 2.938 0 1 GFAF COc1cc(Cl)ccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116823650 MGSNPGTXJLBZKW-GASCZTMLSA-N 386.883 2.964 0 1 GFAF CCN(CC)CCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccn1 110663123 XEQTUEZWFDHATI-VQTJNVASSA-N 393.487 2.765 0 1 GFAF O=C(O)C[C@@H]1CCN(C(=O)c2cccc(F)c2)C[C@H]1Cc1nc2cnccc2[nH]1 2356588259 NIMHPVMUVISVMY-DZGCQCFKSA-N 396.422 2.893 0 1 GFAF CCC=C[C@]12[C@@H]3C[C@@H]4[C@H]1CN[C@@H]2[C@@]1(OC(=C2OC(=O)C(C)=C2OC)[C@H](C)[C@@H]41)O3 2356784450 OQWKLIFARYBYDS-FKXMKNBFSA-N 385.460 2.627 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3C=CC4=C5C=CC(OC)=C[C]5NC4=C3C[C@@H]12 2356867195 ASAUPPHTXKGODW-JLZZUVOBSA-N 379.436 2.671 0 1 GFAF COc1ccc(-c2cc3n(n2)CC(=O)N(CCc2cccc(OC)c2)C3=O)cc1 73222599 VYRSPLCAEYQRJT-UHFFFAOYSA-N 391.427 2.792 0 1 GFAF COc1ccc(C2=NN(C(=O)[C@H](C)O[N+](=O)[O-])[C@H](c3ccco3)C2)cc1OC 43025787 AFUCNBDQRGAISC-FZMZJTMJSA-N 389.364 2.571 0 1 GFAF Cc1cccc(CNc2nc(N3CCN(c4ncccn4)CC3)ncc2C)c1 82213002 BSSXWRQNYPYODU-UHFFFAOYSA-N 375.480 2.822 0 1 GFAF COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1F 1911580242 XOPZGRGTLBTEHS-MRXNPFEDSA-N 397.454 2.876 0 1 GFAF CN1CCC(C(=O)N2Cc3c(NC(=O)c4cccc(F)c4)n[nH]c3C2(C)C)CC1 45358024 YRWDEKPEPUVMIZ-UHFFFAOYSA-N 399.470 2.720 0 1 GFAF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2cccs2)n1 82082993 KWCKSLCQJGEOEJ-CYBMUJFWSA-N 379.482 2.844 0 1 GFAF CN(Cc1cn(C[C@@H](O)COC(=O)c2ccccc2)nn1)CC1CCCCC1 82156727 JZCNPDLDTLMHPT-HXUWFJFHSA-N 386.496 2.508 0 1 GFAF O=C(O)C1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144715952 MLVXBECSIPVIDY-SFHVURJKSA-N 377.318 2.622 0 1 GFAF COc1ccc([C@H]2Oc3c4c(cc(O)c3C(=O)[C@@H]2O)OC(C)(C)CC4)c(O)c1 238770392 YOVXQNOKBPXHOT-AZUAARDMSA-N 386.400 2.887 0 1 GFAF CCOc1ccc(C[C@H](N)c2nc(=O)c3cc(-c4cn[nH]c4)ccc3[nH]2)cc1 95588947 QHVMZZJEOAIYCY-SFHVURJKSA-N 375.432 2.954 0 1 GFAF Cc1ccccc1S(=O)(=O)Nc1cnc(N2CCCCC2)c(C(=O)O)c1 299856116 HUZSEHZORCSOAT-UHFFFAOYSA-N 375.450 2.879 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cnc(OC)nc1)CC2=O 587488100 HHCDPXBYFIXJDY-HXUWFJFHSA-N 386.404 2.567 0 1 GFAF O=P(O)(O)C(O)(Cc1cccc(-c2ccc(Cl)cc2)c1)P(=O)(O)O 13673812 RVCVZAQVHMLXKI-UHFFFAOYSA-N 392.668 2.551 0 1 GFAF C[C@H](CCn1cccn1)NC(=O)c1coc(CN2CCc3ccccc3C2)n1 19772124 PKSIWPIKDQUIHX-MRXNPFEDSA-N 379.464 2.638 0 1 GFAF Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(CO)cc5[nH]4)c3N)ccc2[nH]1 150261304 HKLFXGIFTLYVQG-UHFFFAOYSA-N 386.415 2.844 0 1 GFAF Cc1cc(C)nc([C@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)n1 168916520 XFBGUIYBUQWGSO-DWIMKLOGSA-N 398.507 2.700 0 1 GFAF O=C(NCc1cccc(Cl)c1)c1nc(O)c2nnn(Cc3ccccc3)c2n1 6732698 DARIHGFPCQCAIN-UHFFFAOYSA-N 394.822 2.559 0 1 GFAF C/C=C1/CN2CCc3c([nH]c4cccc(OC)c34)[C@H]2C[C@H]1[C@H](CO)C(=O)OC 100406436 WYNQUOUUSJZYJJ-LGQXMNBSSA-N 384.476 2.823 0 1 GFAF biogenic,in-vitro O=C1O[C@@H](COc2cnsn2)CN1c1ccc(C2=CCOCC2)c(F)c1 27421733 UVIQLROLDQLNLD-CYBMUJFWSA-N 377.397 2.885 0 1 GFAF CC(C)CC[C@]1(O)c2cc3c(O)cccc3c(O)c2C(=O)[C@@H](C)[C@@]1(O)C(=O)O 2356789163 CZCMNEIPHMQXSR-FAORDRHVSA-N 388.416 2.523 0 1 GFAF Cc1ccc(F)cc1Cn1c(N2CCC[C@@](C)(N)C2)cc2ncn(C)c(=O)c21 64549420 GIIWTKKFXUTBGE-OAQYLSRUSA-N 383.471 2.548 0 1 GFAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](C(=O)O)C3)cs2)c1 82081234 XMZXFUSJABOASK-LLVKDONJSA-N 376.434 2.764 0 1 GFAF CNS(=O)(=O)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1 40406407 NLPWKJGIJIKXRH-UHFFFAOYSA-N 375.494 2.906 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 95794186 WQIKEGRFRUPLDM-TZIWHRDSSA-N 386.442 2.916 0 1 GFAF CCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1cccc(F)c1 95895247 ZJXUDCKKEIQJBB-SLFFLAALSA-N 399.466 2.504 0 1 GFAF C[C@H]1C[C@@H]([C@@H]2CC[C@H]3[C@@H]([C@@H]4[C@H](C)O[C@@H]5[C@H](C)C(=O)O[C@@H]54)CCCCN23)OC1=O 255248663 NSVYJHREGGWCHW-FSDFIUDMSA-N 391.508 2.536 0 1 GFAF CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc[nH]n4)c3)CC2)CC1 618009751 HUUNPQKYJWHCTC-UHFFFAOYSA-N 396.583 2.661 0 1 GFAF CNC(=O)c1coc([C@@H]2[C@H](Cc3ccccc3CCC(=O)O)[C@H]3CC[C@H]2O3)n1 261186739 XRRNUAXUYMWVSW-KLICCBINSA-N 384.432 2.555 0 1 GFAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473179291 CMRPWTOJYYZURJ-HFTRVMKXSA-N 393.422 2.874 0 1 GFAF O=C1CC=C(c2nc3cc4c(cc3[nH]2)OCCO4)NN1Cc1ccc(F)cc1 587164887 YCUYNFVAMRTEBS-UHFFFAOYSA-N 380.379 2.751 0 1 GFAF NS(=O)(=O)c1ccc(CCc2nc3ccc(Br)cc3[nH]2)cc1 586929608 GADAJYDEKAQHLM-UHFFFAOYSA-N 380.267 2.758 0 1 GFAF Oc1ccc(Cc2cc3c(O)nc(O)nc3nc2-c2c(O)cc(O)cc2O)cc1 587561799 WFXBBTFRHJGZMH-UHFFFAOYSA-N 393.355 2.516 0 1 GFAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(-n3cnnn3)cc2[nH]1 587081207 XUOMMJNVLHKXHH-CQSZACIVSA-N 378.827 2.916 0 1 GFAF Cc1cc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1-n1cnnc1 962731224 QHLRWSDZTCCCKY-SJORKVTESA-N 389.381 2.743 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4c(cccc4OC)C3)n2)c1 1772623014 PSZZENHMWUCMLE-UHFFFAOYSA-N 390.447 2.546 0 1 GFAF O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CCC[C@@H](CO)C1 1772587069 JRLVGAQOIOCAIX-CYBMUJFWSA-N 375.432 2.951 0 1 GFAF Cc1cn2cc(NC(=O)c3ccc(N4CCNC(C)(C)C4)cc3F)ncc2n1 1772578108 ZAZQPCDYGFOJFM-UHFFFAOYSA-N 382.443 2.617 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@H](O[C@@H](C)CCCCC=CC(=O)O)O[C@H]1C 2356345323 NKVDNSIHZYHTDR-RXBWTVHKSA-N 384.469 2.967 0 1 GFAF CN(C)c1ccc(C(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCCCC2)cc1 2356286134 UGMVELZZZGAVCE-SJBKTWHCSA-N 384.568 2.679 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccnc2)cc1 100106004 FIVSVTVQTSCGQH-ZBYYUNFXSA-N 391.496 2.877 0 1 GFAF O=C1C[S@](=O)[C@H](c2ccc(F)c(Br)c2)N1CCc1ccccn1 28819505 DTMOOCOMIBGRNN-WAIKUNEKSA-N 397.269 2.815 0 1 GFAF N=C(N)N1CCc2ccc(OCC3CCN(c4ccccc4N)CC3)cc2C1 28336719 UHUZMOLBOOQOEK-UHFFFAOYSA-N 379.508 2.816 0 1 GFAF COc1ccc(NC(=O)O[C@H]2CCC[C@H]([C@H](N)C(=O)N3CCSC3)C2)cc1 27980668 ZOJNVHBDZGHINU-JQFCIGGWSA-N 393.509 2.663 0 1 GFAF COc1cccc2[nH]c3c(c12)CCN1C[C@H]2CC[C@@H](O)[C@@H](OC(C)=O)[C@H]2C[C@H]31 33829771 MTJHSYDEEYNWIV-PNKZEQOLSA-N 384.476 2.798 0 1 GFAF C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ncccn3)n2)cc1 72118541 JFHYZQNXNHZARY-QGZVFWFLSA-N 391.475 2.943 0 1 GFAF FC(F)(F)c1csc(-n2nnc3ccc(NCC4CCNCC4)nc32)n1 73276533 XHVOHQIKXCIJTA-UHFFFAOYSA-N 383.403 2.702 0 1 GFAF COc1c(O)cc2c(c1CCC(C)(C)O)O[C@H]1c3ccc(O)cc3OC[C@@]21O 14713072 GOAAFLGCSWDGQK-PZJWPPBQSA-N 388.416 2.524 0 1 GFAF biogenic O=c1c2c3c(sc2nc(O)n1S(=O)(=O)c1ccccc1)CCCCC3 45285883 LEOJVQWHGWJZIX-UHFFFAOYSA-N 376.459 2.670 0 1 GFAF CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F 82152501 UISWZXHDBIIOFJ-KGLIPLIRSA-N 399.470 2.513 0 1 GFAF COC(=O)C1=C2C=C(C(C)C)CO[C@@]2(O)[C@H]2OC(=O)[C@@]13CCCC(C)(C)[C@H]23 49013682 LAPJYYDIILQSKK-SNHGZMDHSA-N 376.449 2.509 0 1 GFAF CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3cc[n+]([O-])cc3)cc2)CC1 40913783 CORYJRAIQKLCFS-UHFFFAOYSA-N 398.463 2.629 0 1 GFAF CCCCOC(=O)COC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc(C)cc2)n1 82070810 SOMYJAYQPISJRG-CQSZACIVSA-N 388.420 2.655 0 1 GFAF CCc1cn(C2=NCC(=O)N3CCc4c(cccc4[C@@H]4CCCO4)C3=C2)cn1 148951649 XHPHORVTVJLGEM-FQEVSTJZSA-N 376.460 2.983 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O 95693019 AZDABJQXNZGANX-QMTMVMCOSA-N 391.512 2.519 0 1 GFAF O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccccc1 95898434 QTYAKTFIIZKPHO-TZIWHRDSSA-N 376.460 2.915 0 1 GFAF CCOC(=O)C[C@@H](C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC 587399112 IAIJERXLIBBHIC-RNODOKPDSA-N 377.437 2.824 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)CN1CCOCC1 587869337 GQRPPWOIIKWAKP-LBPRGKRZSA-N 398.385 2.581 0 1 GFAF CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431009 XQIGKBFUIXBNJM-VGSWGCGISA-N 381.428 2.967 0 1 GFAF COc1cc(N)c(I)cc1-c1nc2ccc(CO)cc2[nH]1 587178818 LWKPUMWTFJFICY-UHFFFAOYSA-N 395.200 2.918 0 1 GFAF CN=c1nc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]s1 587860116 ZYTUCCHTDZZLOB-VXJOIVPMSA-N 385.306 2.895 0 1 GFAF CS[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@](SC)(C(C)C)NC1=O 13430500 JXDWMFMAEDSXNI-QZTJIDSGSA-N 377.535 2.731 0 1 GFAF biogenic COc1ccc(Oc2ncc3ncc(=O)n(-c4ccc(OC)cc4)c3n2)cc1 4238906 AEAODVVSZXSGPA-UHFFFAOYSA-N 376.372 2.985 0 1 GFAF C/C=C1/CN(C)[C@@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 103583556 ILXSNNTYRNLDCX-WZJNASGUSA-N 384.476 2.526 0 1 GFAF biogenic,in-vitro C[C@H]1CCCN(c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 28883751 YXGZSXNOXQYEQA-NSHDSACASA-N 388.415 2.926 0 1 GFAF CCCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26502371 OSFBWGGLZKVPHN-MRXNPFEDSA-N 378.494 2.998 0 1 GFAF CC[C@@]12CN3CCc4c([nH]c5cccc(OC)c45)C3=CC1=C(C(=O)OC)C(=O)O2 14594501 DZKORSWHZPDFEP-JOCHJYFZSA-N 394.427 2.564 0 1 GFAF biogenic COc1cc(Br)cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)c1O 71294974 IWLVLRFSHYEXNX-LBPRGKRZSA-N 392.209 2.563 0 1 GFAF O=C(Nc1ccc2ccccc2c1)[C@H](n1nnc2ccccc21)P(=O)(O)O 40576871 RXQJDCASVKNUIG-GOSISDBHSA-N 382.316 2.900 0 1 GFAF CC(C)CCc1cc(S(=O)(=O)CC(C)C)nc(S(=O)(=O)CC(C)C)n1 40951980 FGTHNXNMSNVRHP-UHFFFAOYSA-N 390.571 2.925 0 1 GFAF COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(C)CCO)n2)cc1 82065839 LYIRFJXBXGPUIN-UHFFFAOYSA-N 399.426 2.852 0 1 GFAF Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccncc2)c2c(N)ncnc21 96285838 XPYVRSZSAHLDBB-UHFFFAOYSA-N 384.443 2.744 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)C12CN(C(C)=O)C2 95666948 JNZSOJNEPOUUKL-RBBKRZOGSA-N 396.462 2.790 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1cc(N4CCOCC4)ccc1N)[C@@H](C2)C3=O 587443184 LJBXQPLRZUNFOP-JTSKRJEESA-N 380.444 2.777 0 1 GFAF C[C@]1(n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CCS(=O)(=O)C1 587658216 LROFMFSOCOHYGV-IBGZPJMESA-N 390.411 2.875 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NS(C)(=O)=O)c(F)c1)[C@@H](C2)C3=O 587425547 DXNBOCSGDBCVKW-DJJJIMSYSA-N 391.420 2.869 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(C)ccnc2[nH]1 586947145 XCEJLCCIVSNUIF-CQSZACIVSA-N 386.477 2.699 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586946371 VXNOUGWBJAJIFL-UHFFFAOYSA-N 389.412 2.505 0 1 GFAF CNc1nc(C[C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ns1 962978499 RLUGNGUMJIBMCL-VFZGTOFNSA-N 388.827 2.568 0 1 GFAF CC1(C)C[C@@](O)(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CCO1 1772628155 LCIQSZJSKFRPOG-OAQYLSRUSA-N 382.464 2.752 0 1 GFAF NC(=O)[C@@H]1CCCN(Cc2ccccc2-c2nc(O)cc(C(F)(F)F)n2)C1 19794706 PWERRVHYJAQJAO-GFCCVEGCSA-N 380.370 2.565 0 1 GFAF CCC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169296580 JPAYKFOGOBDDJL-QSNWEANLSA-N 396.443 2.750 0 1 GFAF COc1ccc(NC(=O)C[C@@]2(C)N=C(c3cc(F)ccc3F)N(C)O2)cn1 205207240 DBWQOSMITZFBBO-SFHVURJKSA-N 376.363 2.737 0 3 GFAF O=S(=O)(c1ccccc1Cl)N1CCC(O)(c2ccc3c(c2)OCO3)CC1 4375052 VUDBAQAQSRGQQN-UHFFFAOYSA-N 395.864 2.741 0 3 GFAF CCOC(=O)Cc1c(C)nc2c(-c3cccc(Br)c3)c[nH]n2c1=O 100447823 VZIWXHODEIZQJI-UHFFFAOYSA-N 390.237 2.866 0 3 GFAF C[C@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 103265290 RBULLMHVZYBTHL-LUKYLMHMSA-N 398.507 2.798 0 1 GFAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NCc2cccnc2)cc1OC 2356302820 DBVIXWHIXCKFSJ-GFCCVEGCSA-N 383.404 2.737 0 1 GFAF CC=C(C)C(=O)O[C@H]1CN(C)CC[C@H]1c1c(O)cc(O)c2c(=O)cc(C)oc12 2356566338 DSBBHVSUDLJUOE-DYVFJYSZSA-N 387.432 2.810 0 1 GFAF CO[C@H]1CC[C@@H](C[C@H]2COC(=O)[C@H]2C[C@@H]2CC[C@@H](O)[C@H](OC)C2)C[C@H]1OC 2356665232 YYGRXNOXOVZIKE-WUSQFYIWSA-N 384.513 2.562 0 1 GFAF CCOc1cc2c(cc1O)CCN1C=c3c(OCC)c(OCC)ccc3=C[C@H]21 2356848678 PHIJQDHVVSVVBK-LJQANCHMSA-N 381.472 2.720 0 1 GFAF O=C1C[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@H]2CCN1Cc1cccnc1 2356874100 YSOUPIAWQSNUPZ-RBUKOAKNSA-N 399.516 2.531 0 1 GFAF CC(=O)O[C@H]1Cc2cc3c(cc2[C@@H]2[C@H]1c1ccc4c(c1CN2C)OCO4)OCO3 38466300 IDYNWQAYWOFRRD-PCCBWWKXSA-N 395.411 2.902 0 1 GFAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCc1ccc(F)cc1 82203854 IUEJWLRDSCJSQU-UHFFFAOYSA-N 393.470 2.695 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CN(CC)C(C)=O 95895310 DMYQOUWKCURJRZ-XJUOHMSHSA-N 395.503 2.682 0 1 GFAF CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@H]3[C@@](C)(C[C@@H](O)C[C@@]3(C)CO)[C@@H]2CC1 238757690 KWIJYAKGYJADGK-FYYUJBKDSA-N 380.525 2.823 0 1 GFAF COC(=O)[C@@]12C[C@H]3[C@H]4C[C@@H]1N(CCc1c2[nH]c2ccc(OC)cc12)[C@@H]3O[C@H]4C 238740696 DHIALYFVBVORHH-GFEIIFDSSA-N 382.460 2.599 0 1 GFAF COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587393432 IIHOEIJMNWFSIE-WZONZLPQSA-N 394.471 2.976 0 1 GFAF CC1=C(c2ccc3nc(-c4cccc(-c5cnc(=N)[nH]c5)c4)[nH]c3c2)NNC(=O)C1 587255019 VGYNIOHNMQUPFY-UHFFFAOYSA-N 397.442 2.855 0 1 GFAF COC(=O)[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804229 DBOSHWMADDOPMV-XLFHBGCDSA-N 384.245 2.860 0 1 GFAF CCOC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 587369799 OXXREZIFXYRKNT-FQEVSTJZSA-N 383.379 2.565 0 1 GFAF Brc1n[nH]c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc12 587006327 FNEMHKQCGVYZJE-UHFFFAOYSA-N 381.197 2.844 0 1 GFAF CCOC(=O)CNc1ccc(-c2nc3cc(S(=O)(=O)CC)ccc3[nH]2)cc1 587223849 GXLUYBWKFYHCJD-UHFFFAOYSA-N 387.461 2.999 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(COc1ccccc1OCC(=O)O)[C@@H](C2)C3=O 587444337 ZBJDPEUZTDVTOS-QKKBWIMNSA-N 384.384 2.744 0 1 GFAF CN1CCc2cn(C)nc2[C@]1(C)c1ccc(OCC(=O)N2CCCCC2)cc1 963956585 YTUBSXXPOHFUEK-QFIPXVFZSA-N 382.508 2.563 0 1 GFAF COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cn1 963605703 HBFHCFKLRSDFNM-YEJXKQKISA-N 386.448 2.750 0 1 GFAF CCOC(=O)[C@]1(c2ccc(OC)cc2C)NCCc2ccc(C(=O)N(C)C)cc21 962920406 AUVBNBFXNQZXGT-HSZRJFAPSA-N 396.487 2.658 0 1 GFAF CN1CCN(c2ccccc2[C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)CC1 963038755 ZVBGSRPAAISTMJ-QMHKHESXSA-N 376.504 2.581 0 1 GFAF COC1CCC2(CC1)Oc1ccc(CCC3CC3)cc1[C@]21N=C(N)N(C)C1=O 201249953 ZMLOUJZIHIICJY-UVOAEELBSA-N 383.492 2.731 0 1 GFAF COc1ccc(N2C(=S)NC(=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 1857641194 ZEZJUTVRXUEAGD-INIZCTEOSA-N 388.445 2.683 0 1 GFAF CS(=O)(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 595503 OOFZXDNGMLQFMR-UHFFFAOYSA-N 397.456 2.633 0 1 GFAF NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 3960038 IOSBUNBTXXXMFG-UHFFFAOYSA-N 381.282 2.674 0 1 GFAF in-vitro C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4040622 JIVFPOLGVJBIKA-QMIHWGKISA-N 384.480 2.504 0 1 GFAF CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)n(CC)c3ccccc23)CC1 4057553 UICRGRKWQPFXOF-UHFFFAOYSA-N 386.448 2.704 0 3 GFAF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4206591 RQFOYLUNRRCLGK-NVXWUHKLSA-N 394.880 2.618 0 1 GFAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(CN)cc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632250 AJMPBKFJRDIAGM-KSSFIOAISA-N 381.501 2.819 0 1 GFAF CCN(c1ccc(-c2csc(CCN3CCOC3=O)n2)cc1)S(C)(=O)=O 55049625 PYKIONYUSONYMW-UHFFFAOYSA-N 395.506 2.591 0 1 GFAF COc1cc(CC(=O)OC[C@@H](COC(C)=O)OCc2ccccc2)ccc1O 26734641 JIZXRLXDKKJGTI-GOSISDBHSA-N 388.416 2.635 0 1 GFAF COc1cc(Cn2nncc2Cc2ccc3c(c2)OCO3)cc(OC)c1OC 28872612 SFDFSOHWRPAWEJ-UHFFFAOYSA-N 383.404 2.672 0 1 GFAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)CC1CCCC1 61930893 YDIXFSTXVZFSEO-GOSISDBHSA-N 398.912 2.716 0 3 GFAF COc1cc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc(OC)c1OC 36381444 LMXZFMAFJREVRG-UHFFFAOYSA-N 377.466 2.538 0 3 GFAF NCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 36518298 IRLYTHFEAAIEGX-UHFFFAOYSA-N 386.835 2.643 0 1 GFAF O[C@H](CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 64548666 XLYXYLPVZZDCFZ-MRXNPFEDSA-N 384.505 2.690 0 1 GFAF NC1=N[C@@]2(CO1)c1cc(-c3ccc(F)nc3F)ccc1OC1(CCC1)C21COC1 220718486 GNSLGVRHWMTDBJ-NRFANRHFSA-N 399.397 2.899 0 1 GFAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(F)(F)CC4)ccc23)cn1 221609546 IIZLLNQHLCCDAL-UHFFFAOYSA-N 385.418 2.965 0 1 GFAF CCOC(=O)N1CCC(CN2CC[C@H](N3Cc4ccccc4NC3=O)C2)CC1 473153045 XOXRENMGMTUADK-SFHVURJKSA-N 386.496 2.977 0 1 GFAF CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1F 299884723 UISWZXHDBIIOFJ-ZIAGYGMSSA-N 399.470 2.513 0 1 GFAF COC(=O)C[C@@]1(O)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989900 AIZNMIFENKVUHQ-HSZRJFAPSA-N 389.407 2.935 0 1 GFAF COC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650445 WCQRFEYBUOCPCB-UHFFFAOYSA-N 375.377 2.733 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346287 LNIQUHIVAHASQO-WBJUIPRCSA-N 397.402 2.712 0 1 GFAF N[C@H](Cc1ccc(I)cc1)c1nc2cc(F)cnc2[nH]1 587185153 YDOGAORAJGMQAC-LLVKDONJSA-N 382.180 2.944 0 1 GFAF NS(=O)(=O)c1ccc(CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586930455 UBXGTELYFLYEHX-UHFFFAOYSA-N 385.367 2.894 0 1 GFAF Oc1nc(S)nc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587016794 DPJGBQSQFAJPKK-UHFFFAOYSA-N 399.457 2.833 0 1 GFAF C[C@@]1(c2nc3nc(Br)c[nH]c-3n2)C=C(c2ccccc2F)NO1 587155141 IALOAUHFPBDART-HNNXBMFYSA-N 376.189 2.997 0 1 GFAF N[C@@H](CP(=O)(O)O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586922992 NZXJHWLGILXSQG-LURJTMIESA-N 388.080 2.522 0 1 GFAF COc1cccc2cc(C(=O)OCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c(=O)oc12 12617337 ABNDGTSITBHEHV-XEZPLFJOSA-N 387.432 2.899 0 1 GFAF CCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O 13782364 QLEPGKIQCRBVIL-UHFFFAOYSA-N 375.488 2.765 0 1 GFAF O=C(O)C[C@@H]1CC(CNC(=O)CCNCc2ccccn2)=CCc2ccccc21 13819509 XSJSITKHPFKCRJ-IBGZPJMESA-N 393.487 2.809 0 1 GFAF Cc1ncc(C(=O)O)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1 13832785 NDONVZRMRPKHSV-UHFFFAOYSA-N 387.403 2.942 0 1 GFAF COc1ccc(CNC(=O)[C@@H](C)OC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 18324123 XNEURKZZRITXSU-UPURUENPSA-N 387.476 2.574 0 1 GFAF CN1CCN(C2=CC(=CC=C3C=c4ccccc4=N3)N(C)c3ccccc32)CC1 1857627104 DGRKHRFMUILZKR-UHFFFAOYSA-N 382.511 2.606 0 1 GFAF O=c1c2cc(-c3ccccc3)n(-c3ccccc3)c2ncn1CCOCCO 1857769381 XCGPRORKPGDSQX-UHFFFAOYSA-N 375.428 2.863 0 1 GFAF COc1ccnc(N2C[C@H]3CN(C(=O)c4ccc(F)c5ccccc45)C[C@@H]3C2)n1 116825155 UQOMQTRAYAAQIV-HUUCEWRRSA-N 392.434 2.986 0 1 GFAF CC[C@H](C)C(=O)C(=O)N(C)[C@@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C 2356826895 HLFLCRYVHOAXOU-HNAYVOBHSA-N 385.508 2.925 0 1 GFAF CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)/C=C/COC)c3)c12 218987008 PDOBZKVDVHVSNZ-VMPITWQZSA-N 380.404 2.943 0 1 GFAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)NCCO)CC[C@H]4[C@H]3CC[C@@H]12 34801352 RYYSYRHPOPBMEU-YKRKJIBKSA-N 376.541 2.575 0 1 GFAF O[C@H]1[C@H](O)CO[C@@H](c2cn(Cc3ccc(C4CC4)cc3)c3ccccc23)[C@@H]1O 84670662 KWHMRNGXOWLPAR-ACESQOTJSA-N 379.456 2.721 0 1 GFAF CC/C=C\[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 263638855 XNUWGEPKIOWLHQ-DZCPSNJBSA-N 385.460 2.866 0 1 GFAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(N)ncnc3[nH]2)c1 587051451 XMMYBEQEKAKBEV-SREVYHEPSA-N 399.842 2.979 0 1 GFAF O=C(c1ccc2nc(CC3CCCCCC3)[nH]c2c1)N1CCN(CCO)CC1 587961414 SWLVRGATISZVHA-UHFFFAOYSA-N 384.524 2.826 0 1 GFAF Oc1ncnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 586967226 ZYHPGKLLVLKVNR-UHFFFAOYSA-N 379.449 2.868 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H]([C@H](CC(=O)OCC)C(=O)OCC)CC2=O 587483311 QATNJLLTCCBIPG-WMLDXEAASA-N 378.421 2.811 0 1 GFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587194393 RCMXWYQUMNRZLC-SECBINFHSA-N 388.394 2.841 0 1 GFAF Cc1ccccc1[C@@H]1CC(=O)C[C@@H](c2ccccc2C)C12C(=O)NC(=O)NC2=O 5924741 LIOTUXHAZLUHQQ-OALUTQOASA-N 390.439 2.886 0 1 GFAF NC(=O)CCCCC[C@@H](CNS(=O)(=O)c1ccccc1)c1cccnc1 13730284 XLAYHEAUOHRNHS-KRWDZBQOSA-N 375.494 2.580 0 1 GFAF Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)CC5)n4)n[nH]c3cn2)cn1 205241229 JUXYREUMIHGZST-OAHLLOKOSA-N 388.479 2.738 0 1 GFAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCO 4152152 VYVABIRISYAYGC-FPOVZHCZSA-N 398.459 2.684 0 1 GFAF CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)[C@@H]1COc2ccccc2O1 4215684 MDMLXVPNVFDIQT-KRWDZBQOSA-N 388.489 2.831 0 3 GFAF COc1ccccc1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@@H]1O 2356286913 SHNMGCVIGUUKAP-IDCNUPLLSA-N 395.377 2.722 0 1 GFAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)NCc2ccccc2)CC[C@@]1(C)O 2356288568 HEZAHMKVGGNLON-KCZVDYSFSA-N 381.476 2.599 0 1 GFAF CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCC(=O)c1cc(C)n(C)c1C)(C3)C2 101469163 OPZIZOFSNNLOQV-WZGNDQMWSA-N 386.492 2.843 0 1 GFAF CC(=O)O[C@H]1CCC(C)(C)[C@@]2(O)C[C@@H]3OC(=O)[C@@H]4c5ccoc5C[C@H]([C@@H]34)[C@@]12C 85489272 GXBMHMVGIRRPBD-WPEWNZPNSA-N 388.460 2.970 0 1 GFAF biogenic,in-vitro O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccc(F)c1 95893962 RXRQVEZQDJTXHR-AQNXPRMDSA-N 380.419 2.551 0 1 GFAF CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc2oc(=O)[nH]c12 95601188 KDJLIPBBVQRRLY-JTQLQIEISA-N 382.438 2.673 0 1 GFAF CO[C@@](C)(C(C)C)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 95583449 PXRPXQKBRGMQJJ-KKSFZXQISA-N 398.486 2.998 0 1 GFAF CC(=O)N1CCC(c2nccnc2OC2CCN(c3cccc(C)n3)CC2)CC1 96169029 QWHKVTCVPNASER-UHFFFAOYSA-N 395.507 2.954 0 1 GFAF COC(=O)c1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cn1 587124582 MXHCHTXUGCMWMJ-JMCQJSRRSA-N 380.330 2.916 0 1 GFAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(S)nc(S)nc2[nH]1 587067262 QKUYJBPEBRLWOK-UHFFFAOYSA-N 382.854 2.984 0 1 GFAF Cc1cc(=NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]o1 587580991 UOETYKQBRMUREV-GHTZIAJQSA-N 394.383 2.860 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587762518 SRHPPJHPYSEBDT-YNKQFZHNSA-N 399.304 2.833 0 1 GFAF NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2)n2cccc(OCC(=O)O)c12 13758489 BWMYYDHMMKJDLI-UHFFFAOYSA-N 392.411 2.539 0 1 GFAF Cn1ccc(C2=NC(=O)N[C@@H](c3ccc(C(=O)O)c(O)c3)[C@H]2c2ccsc2)n1 169702748 ODEXPODBENTCPE-CVEARBPZSA-N 396.428 2.923 0 1 GFAF N[C@H]1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1 205241054 YSYVRFJJFUKXNR-LBPRGKRZSA-N 375.411 2.758 0 1 GFAF COc1cccc2c1[C@@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O 1857538749 XXOALGSGNOICFL-AWEZNQCLSA-N 383.416 2.861 0 1 GFAF O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)NCc1ccccc1 6738635 NPJNIMZNMHCNOF-UHFFFAOYSA-N 384.439 2.699 0 1 GFAF COCCCNC(=O)CCC(=O)N1Cc2cccc(OC)c2Oc2ncccc21 6902150 DJANONQTVZGFKJ-UHFFFAOYSA-N 399.447 2.662 0 1 GFAF Cc1nc(N2CCOCC2)c2nc(-c3ccccc3)n(CCCN(C)C)c2n1 7991801 RKSCKALVQQWHRC-UHFFFAOYSA-N 380.496 2.590 0 1 GFAF CCn1c(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2cccnc21 26825991 QOLDCLWHRORCOV-OAHLLOKOSA-N 382.445 2.924 0 1 GFAF Fc1c(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccnc1N1CCOCC1 114772943 ZXLICVWNVIJTPH-UHFFFAOYSA-N 399.426 2.553 0 1 GFAF CCN(CC)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 26982879 ZWNVEYTUQBSCJE-UHFFFAOYSA-N 378.230 2.816 0 1 GFAF O=C(O)C[C@@H]1c2c(ccc3c2OCO3)C[C@H]2c3cc4c(cc3CCN21)OCO4 2356497439 NJFMWKYXTHFFBE-LSDHHAIUSA-N 381.384 2.815 0 1 GFAF CCCO[C@@]12C[C@H]3C4=CCO[C@@H]5CC(=O)N6c7ccccc7[C@]1(CCN2C4)[C@@H]6[C@H]53 2356542982 HSSPPKUPUVYOBZ-KVJAXYFTSA-N 392.499 2.847 0 1 GFAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NCc2ccccn2)cc1OC 2356671364 XIOSFGGEWCYHKA-GFCCVEGCSA-N 383.404 2.737 0 1 GFAF CN1C(C(=O)Nc2ccc(Cl)cc2)=C(O)c2cc(F)ccc2S1(=O)=O 28113266 JVYOGJBHUQGPJD-UHFFFAOYSA-N 382.800 2.979 0 1 GFAF CCCCCN1C(=O)[C@](C(=O)NC)(c2ccc3c(c2)OCO3)c2ccccc21 71340855 IFWCXKQBEIDOHQ-JOCHJYFZSA-N 380.444 2.984 0 1 GFAF O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1Cc1c(F)cccc1F 49033843 PLBIOPHLHUUMDK-UHFFFAOYSA-N 396.332 2.924 0 1 GFAF O=C(CCc1nnn2c1ccc1cc(O)ccc12)Nc1ccccc1C(=O)O 40938740 JJZOZPDFWAEIFM-UHFFFAOYSA-N 376.372 2.858 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 82142124 JIXMLQSRBQPSBC-XJKSGUPXSA-N 385.468 2.593 0 1 GFAF O=C1OCC2=C1[C@H](c1cncc(Br)c1)c1cc3c(cc1N2)OCO3 40380508 DLYGIXWDODKZML-OAHLLOKOSA-N 387.189 2.941 0 1 GFAF CC[C@@H]1[C@H]2[C@H](CCCN3[C@H]([C@H]4C[C@@H](C)C(=O)O4)CC[C@H]23)O[C@@]12C=C(C)C(=O)O2 95884487 UINUUSQOLRQGNF-KOTHRKNBSA-N 389.492 2.805 0 1 GFAF COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1O[C@](C)(CO)C=C2 40864696 DNWBCRWFRVKNFW-KKSFZXQISA-N 384.384 2.970 0 1 GFAF biogenic CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(F)c(N2CCOCC2)n1 587871015 NNIWOBFYWPAYBW-UHFFFAOYSA-N 387.390 2.843 0 1 GFAF NS(=O)(=O)c1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1 13561068 ZOIZYBDPHGXTNL-UHFFFAOYSA-N 381.282 2.674 0 1 GFAF CN(C)CCc1c[nH]c2ccc(C[C@H]3NC(=O)N(Cc4ccccc4)C3=O)cc12 13603522 RJNCDIBXVARWRT-OAQYLSRUSA-N 390.487 2.935 0 1 GFAF COc1cccc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)c1 15073474 CIUKNHJVOFJARU-SFHVURJKSA-N 384.451 2.932 0 3 GFAF C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO 15449380 VWVSBHGCDBMOOT-CEHFFPIASA-N 376.468 2.781 0 1 GFAF COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169355869 XWKQYSFFCKQMDI-IDVKNYFZSA-N 396.418 2.516 0 1 GFAF CCCN(C)C(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O 168074145 VSQQQOCDOQSSBG-UHFFFAOYSA-N 386.383 2.672 0 1 GFAF COc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc2c1OCO2 205134194 XVMBZDVVJWGBHM-UHFFFAOYSA-N 382.416 2.589 0 1 GFAF C[C@@H]1CS[C@@H](COc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1 207387120 AIVALBMEWJKNRY-HZPDHXFCSA-N 395.488 2.687 0 1 GFAF COc1cc([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)cc(Br)c1O 1857576209 FKETVBZZCOJGKM-CHWSQXEVSA-N 392.209 2.586 0 1 GFAF O=S(=O)(/C=C/c1ccccn1)c1ccc(OCCCN2CCOCC2)cc1 1857576592 JNSPNTYNLJVFCY-RQZCQDPDSA-N 388.489 2.627 0 1 GFAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21)C1CC1 148582360 QUEPTHRHPJWTRE-HNNXBMFYSA-N 394.443 2.858 0 1 GFAF Nc1cccc2c1C(=O)N(Cc1nnc(-c3ccccc3Br)o1)C2=O 3327530 XUZWZMAXAQGXTJ-UHFFFAOYSA-N 399.204 2.878 0 3 GFAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)C1 102836861 UAGNGANMRDBKCS-IYBDPMFKSA-N 395.507 2.726 0 1 GFAF CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@H](C1)[C@@H]2NS(C)(=O)=O 101108940 IIGBHFJNVWQBMB-OGJWQKAUSA-N 377.897 2.994 0 1 GFAF CN1CCC(N2C[C@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1 2356298765 AEBWVIFGBDQIFY-CTNGQTDRSA-N 392.503 2.544 0 1 GFAF CC[C@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2)N1CCCC(F)(F)C1 101076069 BZGXRUGRHXHQKS-MEJJZLIDSA-N 384.467 2.892 0 1 GFAF CC[C@@H](NC(=O)COC(=O)c1cccnc1N)c1ccc(Br)cc1 24573774 IAABGBLPLJQQNE-CQSZACIVSA-N 392.253 2.851 0 1 GFAF CC[C@H](C)C(=O)OCc1cc(=O)c2c(OC)c3c(cc2o1)O[C@@H](C(C)(C)O)C3 2356592931 PWIKXCTUBPEPCB-APPDUMDISA-N 390.432 2.965 0 1 GFAF COc1cc2c(c(OC)c1OC)CCN(C=O)[C@H]2Cc1ccc2c(c1)OCO2 40563710 CXJOYUPLLDDHEP-INIZCTEOSA-N 385.416 2.739 0 1 GFAF NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@H](CC1CC1)C21COC1 149293995 FKWYDOXONAHPDE-RHSMWYFYSA-N 379.254 2.567 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3ccccn3)[C@@H]2CNC(=O)CC)cc1 95895858 JQIVQIXEWIJDCO-JURMKTCASA-N 379.504 2.970 0 1 GFAF CCN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 299847956 WHNGMNTZKOCTSB-CABCVRRESA-N 377.876 2.760 0 1 GFAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@H]3C[C@H]3F)n2)cc1OC(F)F 653680456 HUSJMLCNDKZUPC-FIQHERPVSA-N 393.369 2.525 0 1 GFAF COc1cc2c3c(c1)O[C@H](C(=O)c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O 587444409 OOAMYGWRLLZKKY-JTSKRJEESA-N 379.412 2.531 0 1 GFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(Br)c2[nH]1 586930150 MZOKIOJWGLIENA-UHFFFAOYSA-N 396.266 2.860 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2C[C@]3(CC[C@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587591088 BCSFBBNVNMWGDN-UXAACKDPSA-N 395.411 2.565 0 1 GFAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(OCCN(C)C)cc3[nH]1)C2 587247272 OHWUXBMNEBKRDX-JOCHJYFZSA-N 380.492 2.855 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(N)c(N)cc2[nH]1 586934574 BSPIRMNXJHDFBE-AWEZNQCLSA-N 391.522 2.500 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(O)cc4[nH]3)c2)o1 586923452 LWSZWWKWKDNBJY-UHFFFAOYSA-N 384.417 2.855 0 1 GFAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccnc3nccnc23)N1 962976737 OEPCVTMBZMZCAU-SMDDNHRTSA-N 376.750 2.645 0 1 GFAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cncc(Cl)n2)N1 962720415 TYVJHJNTTMIAMO-GWCFXTLKSA-N 375.709 2.976 0 1 GFAF COC(=O)[C@]1(CC(=O)c2ccc(C)cc2C)NCCc2c1c(C(C)C)nn2C 962917154 LLHMXVADAWSQQL-JOCHJYFZSA-N 383.492 2.947 0 1 GFAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(Sc3nc[nH]n3)o2)N1 963240780 ZMMPEJOCBQKVEW-PBHICJAKSA-N 393.428 2.785 0 1 GFAF COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCCC4=O)cc3o2)cc1 12746227 OVVUPFVZOYKNSQ-UHFFFAOYSA-N 393.443 2.779 0 1 GFAF CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)N(C(N)=O)C(=O)N1 13820440 LSGMRPZJMHTJQV-CYBMUJFWSA-N 396.241 2.820 0 1 GFAF COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccco2)c(OC)c1 169689085 OOWFXNSFZDCAJZ-TUGJPZLJSA-N 396.443 2.990 0 1 GFAF NC(=O)c1cnc(N[C@H]2CC[C@H](N)CC2)c2nc(-c3ccc(Cl)cc3)cn12 101677346 DIVVQJIIRBQSMU-OKILXGFUSA-N 384.871 2.830 0 1 GFAF CCOCCCNC(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 3022865 DHHKDCHPWDYZHG-UHFFFAOYSA-N 384.432 2.502 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4043622 PIFWXBWASJVRLX-RCLSDMTESA-N 397.475 2.857 0 1 GFAF O=C(Nc1cccnn1)N1CCN(c2nccc(-c3cc(F)ccc3F)n2)CC1 103267365 XLZSIQMUWHBAIY-UHFFFAOYSA-N 397.389 2.566 0 1 GFAF Cc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)N3CCOCC3)[C@H](O)[C@@H]1[C@H]2C 2356316230 OAYBQGQRCJCYEU-VRRRRFAJSA-N 392.565 2.999 0 1 GFAF CN(C)Cc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2 27324182 HPMRAOUUNSIMDM-UHFFFAOYSA-N 397.280 2.837 0 1 GFAF CN(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)cc1 27421874 ZICVQHSFCJLSSZ-UHFFFAOYSA-N 398.282 2.920 0 1 GFAF O=C1CSC(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 27196037 PIMLORHKUTTYEA-UHFFFAOYSA-N 390.534 2.894 0 1 GFAF CC(C)(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 28711439 BSLOFZJAJURMRP-HNNXBMFYSA-N 397.410 2.732 0 1 GFAF C[C@H](O)[C@@H]1C(=O)CC2=C(CC[C@]3(C)[C@H](C(=O)CO)CC[C@@H]23)[C@]1(C)CCC(=O)O 2356537316 NZZKRFFFUVCLAB-CGBOANDSSA-N 392.492 2.512 0 1 GFAF NC(=O)C1(c2ccccc2CCc2nc(Nc3ccnnc3)ncc2Cl)CC1 211098840 PPFXUUIFCFAGQI-UHFFFAOYSA-N 394.866 2.966 0 1 GFAF O=C(c1ccccc1-n1nccn1)N1CCC[C@H]1Cc1cccc(-n2nccn2)c1 222092005 OFOKYTZDYMGETB-SFHVURJKSA-N 399.458 2.695 0 1 GFAF O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2CCO)C[C@H]2CC[C@@H]1N2 96175214 GSGOSZTWXXTXDZ-KDOFPFPSSA-N 382.485 2.816 0 1 GFAF COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)C(C)C 95895486 MGAORVRFBDAGHY-QNWVGRARSA-N 386.536 2.944 0 1 GFAF CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586945963 DXMGVQZEHWKXFX-UHFFFAOYSA-N 385.276 2.958 0 1 GFAF Cc1cncc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 586942712 PFCDFADTBMWHEM-UHFFFAOYSA-N 387.284 2.569 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(O)c4[nH]3)c2)o1 586923735 TUNNNOHYKJQCES-UHFFFAOYSA-N 384.417 2.855 0 1 GFAF CN(Cc1nc2cc(Br)cc(F)c2[nH]1)S(=O)(=O)c1cccnc1 586928446 BPIWPDIHCCXYAQ-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF CCN(CC)c1ccc(-c2nn(C(=O)COC)c(=O)c3ccccc23)c(O)c1 587667838 UXTJBMJEDDOVCB-UHFFFAOYSA-N 381.432 2.902 0 1 GFAF Cc1cc2c(cc1O)[C@@H](Cc1ncc(Br)s1)N[C@H](C(=O)O)C2 963467568 FXVCBEITGZELHA-MNOVXSKESA-N 383.267 2.802 0 1 GFAF COC(=O)C[C@]1(c2ccc(O)cc2)NCCc2cc3cccc(OC)c3nc21 963059021 RWPIRWOQAOSCMG-JOCHJYFZSA-N 378.428 2.901 0 1 GFAF N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 5161642 LHFGKSNSZPZEPC-QMMMGPOBSA-N 399.344 2.730 0 1 GFAF CCNC(=O)C1=C(C)N(CC)C(C(=O)O)=C(C(=O)O)[C@H]1c1ccccc1Cl 13553490 LXKAQMWETQWIPQ-AWEZNQCLSA-N 392.839 2.593 0 1 GFAF O=C(c1ccccc1)N1CCc2nc(O)n3nc(-c4ccccc4F)nc3c2C1 13824532 KEDGRXVKVXGIDR-UHFFFAOYSA-N 389.390 2.835 0 1 GFAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@@H]1c1ccc(Cl)cc1 1857540842 RJZGMGAAMZVUBB-QGZVFWFLSA-N 393.852 2.620 0 1 GFAF COc1cc(OC)c([C@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc1OC 27518128 MDXPXKWMISRSKP-HXUWFJFHSA-N 385.420 2.842 0 1 GFAF O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccn3ccnc3c2)c(F)c1 103255138 URBPETAAWZXGNX-HNNXBMFYSA-N 378.367 2.757 0 1 GFAF Cc1nc2nc[nH]n2c(=O)c1NC(=O)c1c(-c2ccccc2Cl)noc1C 104202246 UAEDJPOJJIUJQD-UHFFFAOYSA-N 384.783 2.595 0 3 GFAF N[C@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4cccc(Cl)c4)C3)c[nH]c21 28465585 AJIYTACJJDEROQ-DWQUBVKVSA-N 391.928 2.664 0 1 GFAF CS(=O)(=O)Nc1cccc(CN2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114332118 CPVFJCZYQSPUEE-GOSISDBHSA-N 385.493 2.621 0 1 GFAF CC[C@@H](C)[C@H](CO)NC(=O)c1cn(Cc2ccncc2)c(=O)c2ccccc12 2356762647 KVCQKFRMEGATEL-QRWLVFNGSA-N 379.460 2.582 0 1 GFAF CC1=C[C@H](CN(C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356853063 QVXYEYWOVRWSFJ-KSZLIROESA-N 387.528 2.791 0 1 GFAF CN1[C@H]2CC[C@@H]1[C@@H]1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)[C@@H]1C2 36093189 QLJHRHJFUIHEAT-IJXRJRJASA-N 384.476 2.878 0 1 GFAF COc1cc(-c2nc(CN3CCC4(CC3)OCCO4)co2)cc(OC)c1OC 72182294 QKNFSPWHPRFWFR-UHFFFAOYSA-N 390.436 2.706 0 1 GFAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(CCF)CC4)ncn3)c2c1 221182130 QUUTXRGXNRDJDX-UHFFFAOYSA-N 384.459 2.899 0 1 GFAF CN(C)CCCOc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cn1 45347155 LIZWYSWXIBBANW-UHFFFAOYSA-N 391.475 2.822 0 1 GFAF O=c1[nH]c([C@@H]2CC[C@H]2c2nnco2)nc2c1cnn2C1CCC(F)(F)CC1 145044280 YAABLWGYYSWJEN-GHMZBOCLSA-N 376.367 2.914 0 1 GFAF COc1c([C@H]2COc3cc(O)cc(O)c3C2=O)ccc(O)c1CCC(C)(C)O 31167083 VGQZSDKUMONDMG-CQSZACIVSA-N 388.416 2.874 0 1 GFAF biogenic O=C(NCC(F)(F)F)[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(F)cc1 473136568 SJMRDPRLKDCQFH-INIZCTEOSA-N 396.340 2.841 0 1 GFAF CCNc1nnc(Cc2nc(O)c3c(C)c(C(=O)OCC)sc3n2)s1 299824165 GBRDIFRZKSYAHN-UHFFFAOYSA-N 379.467 2.756 0 1 GFAF COc1ccc([C@@H](C)N2CCC[C@@H](CNCc3cc(C(=O)O)ccn3)C2=O)cc1 653741166 KGAMEANJVMHURT-QAPCUYQASA-N 397.475 2.878 0 1 GFAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)nc(O)nc3[nH]2)C[C@H]2CCCC[C@H]21 587024978 DFPWNJZTQUIOHR-UPJWGTAASA-N 399.476 2.901 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(F)cccc3[nH]2)cc1 586946819 QGKJZAKBUGDVLY-ZDUSSCGKSA-N 375.425 2.826 0 1 GFAF COc1cccc(CO)c1C(=O)N1CC[C@H]2CN(c3nc4ccccc4o3)[C@@H]2C1 169701344 PSQXKRHIUSUALS-WMLDXEAASA-N 393.443 2.680 0 1 GFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2ccccc2O)CC1 101472730 STFNWNPBXHQKAQ-WBIQWDAHSA-N 382.460 2.921 0 1 GFAF C/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@]2(C)CC[C@@H](O2)[C@H]1C)C(N)=O 101409757 GRVRRAOIXXYICO-PGWQPXQSSA-N 395.540 2.534 0 1 GFAF O=C(Nc1nc(CCO)cs1)N1CCC(N2CCc3ccc(F)cc32)CC1 103241472 OWPXLNCGSKKDQJ-UHFFFAOYSA-N 390.484 2.876 0 1 GFAF Cc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)N3CCOCC3)[C@H](O)[C@H]1[C@H]2C 2356316231 OAYBQGQRCJCYEU-XPGISUESSA-N 392.565 2.999 0 1 GFAF Cc1cc(Nc2cc([C@@H]3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1 66111704 NBGNQRDSPMRZAO-CYBMUJFWSA-N 378.440 2.637 0 1 GFAF CC[C@H](C)[C@@H](NC(=O)Cc1c(-c2ccccc2)oc2c(=O)cc(C)oc12)C(N)=O 2356766520 MBAOWNTVDZFHQZ-KPZWWZAWSA-N 396.443 2.920 0 1 GFAF CCOC(=O)/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 39097826 BABVEBNJYXWYQX-KQDNUWKFSA-N 381.428 2.577 0 1 GFAF O=C(Cc1ccccc1)OCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 95067998 MQGKFVIEIJYUNG-GOSISDBHSA-N 385.416 2.932 0 1 GFAF CC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CCC1 95895565 HSESRDNFSLKVBL-VJBWXMMDSA-N 392.499 2.945 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1cccc(F)c1 95895397 ZJXUDCKKEIQJBB-ZCNNSNEGSA-N 399.466 2.504 0 1 GFAF CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](CS(=O)(=O)CC2CC(F)(F)C2)C1 261164779 RQYJLWOKIRQLAA-BJHJDKERSA-N 384.452 2.633 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnncc2[nH]1 586939048 XXSMTESUWURQFA-CYBMUJFWSA-N 391.522 2.742 0 1 GFAF Cc1ccc2c(ccc3nc([C@@](C)(N)c4ccc(S(=O)(=O)O)cc4)[nH]c32)n1 586959568 RPOLMJAJCHOSIR-IBGZPJMESA-N 382.445 2.888 0 1 GFAF Oc1nncc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001212 MBNAVGFVIMEQDY-UPHRSURJSA-N 375.182 2.763 0 1 GFAF O=C1COc2cc3[nH]c(-c4nnn(Cc5cccc(F)c5)c4Cl)nc3cc2N1 587161704 PSJVADMEQUOSCE-UHFFFAOYSA-N 398.785 2.993 0 1 GFAF CCC(=O)OC1=C(C)OC=C[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963225274 CZDSTOPQRBNIKR-UWJYYQICSA-N 380.400 2.758 0 1 GFAF COc1cccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 1772638672 YRTYGTTZOUOOHJ-UHFFFAOYSA-N 383.477 2.518 0 1 GFAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cccc(C(=O)OC)c2)C1 12449501 QVJBXJLMTMDTJA-HXUWFJFHSA-N 381.476 2.995 0 1 GFAF C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c(F)c1)C(F)(F)F 13760129 LRGGYMDTDQHDIF-HNNXBMFYSA-N 391.342 2.910 0 1 GFAF CCn1c(/C=C/c2ccc(Cl)c(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 169699044 KKOOKBFQFHYVMN-SOFGYWHQSA-N 379.247 2.931 0 1 GFAF CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CCOc3ccccc32)cc1F 169704428 GQPRSVKGKVEBKX-OAHLLOKOSA-N 393.440 2.520 0 1 GFAF CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O 205664924 BJODMBLXUSZGOO-UHFFFAOYSA-N 392.390 2.534 0 1 GFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(F)cc3)C[C@H](O)[C@H]2CO)n1 2356310686 CQQTWSBENNWYNN-HAGHYFMRSA-N 387.499 2.603 0 1 GFAF O=C(Nc1ccc(F)cc1)c1ccc(CN2CC(=O)N3CCCC[C@H]3C2=O)cc1 6877487 KHFAATCVDDMWLH-IBGZPJMESA-N 395.434 2.801 0 1 GFAF Cc1cc(S(=O)(=O)c2ccc3nc(N)nc(N)c3c2)ccc1Br 102252869 GRELFVKCDHSVFQ-UHFFFAOYSA-N 393.266 2.698 0 1 GFAF CC1(C)Oc2cc3oc([C@@H](O)Cc4ccccc4)cc(=O)c3c(O)c2C[C@H]1O 2356307978 ICVZNVCTUUYGAV-IFXJQAMLSA-N 382.412 2.849 0 1 GFAF N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccc(Cl)cc4)C3)c[nH]c21 28473534 XOHKNCJZSMLXPF-CDHAZOANSA-N 391.928 2.664 0 1 GFAF CC1(C)C=Cc2c(ccc3c2O[C@H]2COc4cc5c(cc4[C@@]2(O)C3=O)OCO5)O1 14594242 UMORYJJPSIXKBM-AVRDEDQJSA-N 394.379 2.823 0 1 GFAF biogenic CN(Cc1nc2ccccc2n1CCCNC(=N)N)[C@@H]1CCCc2cccnc21 38225122 XVBHJNYVOUOSQU-LJQANCHMSA-N 391.523 2.814 0 1 GFAF CN1CCN(C(=O)c2cccc(-c3ccc4nnc(-c5ccccn5)n4c3)c2)CC1 82082601 LYZFXMYOUOXUMC-UHFFFAOYSA-N 398.470 2.846 0 1 GFAF COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 95873669 BMAVFVJRZCOPFO-CQOQZXRMSA-N 394.515 2.751 0 1 GFAF Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(Cl)cc21 95604989 ZTKGGBYPPJDSRP-UHFFFAOYSA-N 398.854 2.666 0 1 GFAF Cc1cccc(-c2cc([C@@H](C)Oc3nnc(-c4cn[nH]c(=O)c4)n3C)no2)c1 143048974 AKSJTVFPGONAJS-GFCCVEGCSA-N 378.392 2.669 0 1 GFAF CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ccccn2)CC1 95602423 FWUJYPZOTOTZIM-FQEVSTJZSA-N 377.496 2.780 0 3 GFAF CCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253636825 BPECEJDPRFPPQD-KPEYNIOCSA-N 395.499 2.919 0 1 GFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccno1 653887007 XFALGGXJSZXQKB-UHFFFAOYSA-N 377.784 2.556 0 1 GFAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cnnc(O)c2[nH]1 587231930 XYAQBSHOMIMILI-UHFFFAOYSA-N 390.403 2.948 0 1 GFAF CCn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580457 IBACNBHHJJMDKG-OXQOHEQNSA-N 380.356 2.550 0 1 GFAF COc1ccc2c(C)c(CCc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c(=O)oc2c1C 586918166 JKBSJTGORICENS-UHFFFAOYSA-N 399.838 2.888 0 1 GFAF CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587439144 JRCAOTHUMGCJNH-FABYWJPXSA-N 385.460 2.523 0 1 GFAF C=CN1CC[C@H]([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)C1=O 962669964 PRTMFZAHQRDSPJ-MTNREXPMSA-N 379.460 2.541 0 1 GFAF COc1ccc2c(c1)[C@](CC(=O)c1ccnn1C)(c1ccnn1C)N[C@H]1CC[C@H]21 962998802 WAXAFBKDPYBGRT-TVTNDZMWSA-N 391.475 2.528 0 1 GFAF CN(Cc1ccc(C(F)(F)F)nc1)c1cc(C(=O)Nc2nncs2)ncn1 1772612008 HUHMVOCYAWWFKL-UHFFFAOYSA-N 395.370 2.631 0 1 GFAF COc1ccc(CN2C(=O)CCc3c(Oc4cc(CN)ncn4)cccc32)cn1 1857563064 SJWWVGVIAICOFW-UHFFFAOYSA-N 391.431 2.611 0 1 GFAF CN1C[C@@H](C[C@H]2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 1857612051 WRADCISQZXKNIK-OCCSQVGLSA-N 383.448 2.813 0 1 GFAF CC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)cc1 1361423 HWGUMZACQGCCJV-UHFFFAOYSA-N 393.472 2.542 0 3 GFAF Nc1nc(Cl)c(CO)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 1485739 BFEICJMVGSKDHP-UHFFFAOYSA-N 376.888 2.638 0 1 GFAF CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)cc1 1540211 JDTLFLIPZWUVRK-HNNXBMFYSA-N 396.431 2.749 0 1 GFAF COc1ccccc1CNS(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1 3045436 GFXKRGKGCCUSPB-UHFFFAOYSA-N 375.402 2.927 0 1 GFAF CCN(CC)C(=O)[C@H]1CCC[C@H](NCc2ccc(F)cc2)CN(C)C(=O)C1 2356299497 IYDKKCKJNGEEII-HKUYNNGSSA-N 377.504 2.801 0 1 GFAF CCCCNC(=O)CSc1nc2[nH]nc(C)c2c(=N)n1-c1cccc(C)c1 8583590 OSFKRZYDWLXIOM-UHFFFAOYSA-N 384.509 2.853 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1C 20154283 WBFXFVHIMIAONG-MJBXVCDLSA-N 390.596 2.843 0 1 GFAF Cc1c(C#N)ccc2c3c([nH]c12)C(C)(C)c1cc(OC[C@H](O)CO)ccc1C3=O 114802924 WVSAZAROGSEQOV-CQSZACIVSA-N 390.439 2.950 0 1 GFAF O=C(c1ccc(F)cc1)C1CCN(CCn2nc3n(c2=O)CCCCC3)CC1 29558606 HXDBLYYKUWFVLA-UHFFFAOYSA-N 386.471 2.505 0 1 GFAF CO[C@@H]1O[C@@]2(Cc3ccc4c(c31)OCO4)c1cc3c(cc1CCN2C)OCO3 2356680033 QXPNCCVBNLAVEG-RTWAWAEBSA-N 383.400 2.703 0 1 GFAF Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C)c(C)c2O3)cc2cn[nH]c12 73296428 NXXFTQFAVPYTDI-UHFFFAOYSA-N 393.447 2.553 0 1 GFAF CC(=O)Oc1ccccc1[C@@H]1OC(c2ccc3c(c2)OCCO3)=NN1C(C)=O 73198937 UMYFLOFQVKNLJT-FQEVSTJZSA-N 382.372 2.622 0 1 GFAF COc1ccc2ccc(=O)oc2c1[C@@H]1O[C@@H]1[C@](C)(O)COC(=O)CC(C)C 13383924 BDNFWOZHIWESCR-SLFFLAALSA-N 376.405 2.582 0 1 GFAF biogenic Nc1nccc(-c2cc3c([nH]2)[C@@H](CCCOCc2ccccc2)CNC3=O)n1 40973224 JCIGSRTZMOSPLT-HNNXBMFYSA-N 377.448 2.878 0 1 GFAF CC(=O)c1ccc2c(c1)N(C(=O)CN1C(=O)C=CC1=O)c1ccccc1S2 45301056 MNPRVSJABGOZEN-UHFFFAOYSA-N 378.409 2.944 0 1 GFAF O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 95893348 CWRHDHQOBCTQNA-FDFHNCONSA-N 399.450 2.711 0 1 GFAF CCOc1ccccc1[C@](N)(c1nc2c(O)nc(S)nc2[nH]1)C(F)(F)F 587094216 NCHPGEYWIPXGBB-AWEZNQCLSA-N 385.371 2.511 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)C)nn(C)c1N1CCOCC1)O2 587391161 PRYOTOAAHHAWDX-QGZVFWFLSA-N 384.480 2.977 0 1 GFAF CCn1ccc([C@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514063 FFQQMWWQNIWAPZ-JOCHJYFZSA-N 396.443 2.775 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)s1)(C(O)O)O2 587410737 OTLLULGHGHWKEC-OAHLLOKOSA-N 384.251 2.573 0 1 GFAF COc1cc(Br)c([C@H](N)c2nc3nc(Cl)c[nH]c-3n2)cc1OC 586976073 SQDYZPRAFIZHAY-NSHDSACASA-N 398.648 2.786 0 1 GFAF Cc1cc2c(cc1O)[C@H](c1c(C)n(CC(=O)O)c3ccccc13)N[C@H](C(=O)O)C2 963548098 DXTYBUBTWCCDKF-HRAATJIYSA-N 394.427 2.737 0 1 GFAF Cc1nc([C@@H]2CCCO2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12 169711676 JXGSWYKUIJTHLW-INIZCTEOSA-N 381.484 2.704 0 1 GFAF CCCN(CC1CC1)C(=O)CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 201445305 GMOISJSWQHCKBZ-LJQANCHMSA-N 383.492 2.677 0 3 GFAF COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 4296302 XLHIEPGBHOTVPK-CTNGQTDRSA-N 396.443 2.654 0 1 GFAF Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NC[C@H](C)NCc2ccc(Cl)cc2)c1 59096149 MCSLKWRASMXFKG-KNBMTAEXSA-N 387.959 2.524 0 1 GFAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NCc2ccncc2)cc1OC 2356302812 CLLIGKHXKKHQOH-GFCCVEGCSA-N 383.404 2.737 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@@H](CN1CCN(Cc3ccccc3)CC1)C2 22938099 DNXZKFJJHLQENJ-LJQANCHMSA-N 380.488 2.877 0 1 GFAF O=C1c2ccccc2-c2onc3c2[C@@H]1[C@H](NC1CCCCC1)C=C3NCCO 101414603 WZYDCGZTCKJLKJ-AEFFLSMTSA-N 379.460 2.849 0 1 GFAF Nc1nc(=O)ccn1COC(COCc1ccccc1)COCc1ccccc1 27179004 HLWINAMRKGSRNB-UHFFFAOYSA-N 395.459 2.602 0 1 GFAF CCOP(=O)(OCC)OCCCCCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 72181067 WPFDMAJBBDJLPM-NMWPEEMBSA-N 389.385 2.517 0 1 GFAF Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4cccnc4)c3)cc21 73310090 WKPLAHFEGIHGGP-UHFFFAOYSA-N 387.443 2.686 0 1 GFAF COC1=C[C@@]2(Oc3ccc(-c4ccccc4C=O)cc3C2=O)C(OC)=C[C@@H]1O 73195621 DWTJNZYUOJMNHW-HTAPYJJXSA-N 378.380 2.915 0 1 GFAF Cc1cc(COc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccn1 84732617 SEFGCAWIEXGQET-UHFFFAOYSA-N 385.468 2.816 0 1 GFAF CCOC(=O)C1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1 42989740 DNRKSKJYLJJTLU-UHFFFAOYSA-N 390.411 2.638 0 1 GFAF C[C@H]1Cc2c(nnn2-c2ccn[nH]2)CN1C(=O)c1cccc(C(F)(F)F)c1F 222035751 JWJNXWJNUVFQCA-VIFPVBQESA-N 394.332 2.735 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)CC2=CC[C@H](O)[C@H](C)[C@]21C 238753331 UFRLMTUHNLTWIZ-UGPMKWKOSA-N 376.449 2.818 0 1 GFAF O=C(N1CCC(n2nc(-c3cccnc3)oc2=O)CC1)C1(c2ccccc2)CC1 653723243 BIQUIXLLTIGXHJ-UHFFFAOYSA-N 390.443 2.794 0 1 GFAF CN1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C(F)(F)F)N1 587557432 ROQDFWXIDIDVLJ-XWGGXCHLSA-N 394.349 2.720 0 1 GFAF COC(=O)c1ccnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12 586996662 IVOKKBQHKIEUJI-GFCCVEGCSA-N 375.226 2.750 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc5c(cc41)OC(F)(F)O5)[C@@H](C2)C3=O 587424329 NJLUKPDFOCEYNU-XTZNXHDOSA-N 387.294 2.612 0 1 GFAF CS(=O)(=O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607405 MMPGRDAYYLWTJH-LPHOPBHVSA-N 385.397 2.704 0 1 GFAF CN1[C@@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339921 QZCHWLZGWQDCSQ-ZGBFKGEYSA-N 383.419 2.856 0 1 GFAF COc1ccn2c(c1)nc1c2c(=O)n(CC2CC2)c(=O)n1Cc1cccc(C)c1 1772644672 ZIKNBBFPGJTHCU-UHFFFAOYSA-N 390.443 2.586 0 1 GFAF CN(Cc1ccc(S(C)(=O)=O)cc1)c1cc(C(=O)Nc2ccccc2)ncn1 1772602759 XMJGZFTXWFMNHQ-UHFFFAOYSA-N 396.472 2.769 0 1 GFAF CC(C)(C)NC[C@H](O)COc1ccc(OS(=O)(=O)O)cc1C1CCCC1 5352899 YGAFVZDVNJYOCT-AWEZNQCLSA-N 387.498 2.654 0 1 GFAF biogenic NC(=O)c1cc2c(Oc3ccc(C(=O)N4CCOCC4)cc3)cncc2s1 13864436 ZGVWEAXBQBPRNR-UHFFFAOYSA-N 383.429 2.660 0 1 GFAF CN1CCN(CCCN2C(=O)[C@@H](Cc3ccccc3)Oc3ccccc32)CC1 169324429 QHSJDHSSQHQEGN-JOCHJYFZSA-N 379.504 2.661 0 1 GFAF Cn1ccc(C2=NC(=O)N[C@H](c3ccc(C(=O)O)c(O)c3)[C@@H]2c2ccsc2)n1 169702747 ODEXPODBENTCPE-JKSUJKDBSA-N 396.428 2.923 0 1 GFAF CC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 205577241 VNFLKKKPBDUPAO-INIZCTEOSA-N 395.394 2.535 0 1 GFAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@H](C)O)n1 207197041 KJNPQKXNYILKNS-NILFDRSVSA-N 389.463 2.885 0 1 GFAF O=C(O)c1cnc(-c2ccc(OCc3ccccc3)c(-n3ccnn3)c2)nc1O 1857552783 ATFWDFGKRMQMIT-UHFFFAOYSA-N 389.371 2.707 0 1 GFAF Cc1cccnc1N1CCC(c2[nH]nc3c2[C@](O)(C(F)(F)F)CC(=O)N3)CC1 1857562086 KPCPDTPBYLXHFD-KRWDZBQOSA-N 395.385 2.589 0 1 GFAF Cc1sc([C@H]2CCCN2C(=O)CN(C)C)cc1C(=O)Nc1nccs1 1857656247 APJHMHATXWPZPW-CYBMUJFWSA-N 378.523 2.990 0 1 GFAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H]4CC=C[C@@]15c1cc[nH]c1C[C@@]3(C)[C@@]245 2356343127 JFHIBKUEFPCDHR-CFCCUHABSA-N 381.472 2.963 0 1 GFAF O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccnc2)cc1 100106967 XXTZVQYVVOVCPT-KOUNCHBCSA-N 391.496 2.877 0 1 GFAF O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1Cl)N1CCCC1 101644951 FASRLEHRMLQWCZ-UHFFFAOYSA-N 389.868 2.841 0 1 GFAF CC(C)Cn1c(=O)n(C)c(=O)c2c1nc(NC1CCCC1)n2Cc1ccccc1 26839597 MSDVMDZXJAACQO-UHFFFAOYSA-N 395.507 2.956 0 1 GFAF CC(C)(C)CCN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@H]1COCCN12 2356705183 ZRMNNQNHOBPZAM-IBGZPJMESA-N 386.540 2.726 0 1 GFAF CC1=C[C@@H]2C=CCC[C@H](O)C(=O)CCC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@@H]1C 2356785436 AEWVHSHRWIXYAA-LMKVFPPLSA-N 387.520 2.975 0 1 GFAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C@H](N)C=C4)C3)CC[C@H]1[C@@](N)(CCO)C2 2356873806 YIZYHUILVYNDNY-VXGFKHNWSA-N 389.584 2.939 0 1 GFAF COc1ccc(CN2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]3NCC[C@H]32)cc1 4236338 OPJRQROUEXPUJC-UXHICEINSA-N 393.443 2.597 0 1 GFAF biogenic COc1cccc(CCN2COc3cc4c(cc3C2=O)O[C@@H]2CCCN2C4=O)c1 72173558 DODHGGIAAMMHOV-HXUWFJFHSA-N 394.427 2.685 0 1 GFAF CCCC[C@H](O)C1=C[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@]3(O)C1 195296059 WBVBPFKXFKIIPB-VISVJLQSSA-N 385.504 2.567 0 1 GFAF COC1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)CC1 222711832 BROYMMFRLLTITA-UHFFFAOYSA-N 397.483 2.653 0 1 GFAF COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4cnccn4)C3=C2)ccn1 149202986 JGAJVWHCNOJRCV-UHFFFAOYSA-N 397.438 2.776 0 1 GFAF CCc1c(-c2ccc(N3CC[C@H](N4CCCC4)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 142864177 LFWGHQVJEABGOY-INIZCTEOSA-N 397.475 2.683 0 1 GFAF CCOCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)C(=O)C[C@H]1O 299817014 UJFDLBWYYFZXDS-JZNCWVFPSA-N 382.497 2.734 0 1 GFAF COc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc2cncnc12 653859628 ZLICGWNMYARRTJ-UHFFFAOYSA-N 383.477 2.704 0 1 GFAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)s1 587564017 NFOJAUHYHMGOFW-UHFFFAOYSA-N 382.195 2.554 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ncc[nH]c-3n2)C[C@@H]2CCCC[C@H]21 586957764 DYNBQHQVHRNDEJ-IMJJTQAJSA-N 383.477 2.999 0 1 GFAF Cc1cc(I)cc(-c2ccc3c(O)nc(O)nc3n2)c1N 587369399 GXXJJEKKQVUBGC-UHFFFAOYSA-N 394.172 2.598 0 1 GFAF CN(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)S(=O)(=O)c1ccc(F)cc1 587170194 OMBSUGNTXHGEBM-UHFFFAOYSA-N 399.350 2.844 0 1 GFAF CCOC(=O)[C@@H](F)[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587507359 PTOFCZZDWYULTI-XLIONFOSSA-N 378.396 2.734 0 1 GFAF COc1cc(Nc2nc(NCCO)c3cnn(C)c3n2)cc(C(F)(F)F)c1 1772578080 XMLUJLUTYAFPRP-UHFFFAOYSA-N 382.346 2.539 0 1 GFAF Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 13560132 DHPRWORIQRWDMF-UHFFFAOYSA-N 387.499 2.966 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2cccc(n2)NC/C=C\COc2ccc(Cl)c1c2 169313413 NNZXXIHLUGBLFO-AIMAZDRCSA-N 387.823 2.521 0 1 GFAF COc1ccc(-c2cnc3cnc(-c4cccc(C(=O)NCCO)c4)cn23)cc1 1857610535 AJAHXVFKYBHLAN-UHFFFAOYSA-N 388.427 2.794 0 1 GFAF CCCCCCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 2356322614 SFMYFMMHHYMGPT-MHTWAQMVSA-N 384.524 2.609 0 1 GFAF O=C(NC[C@@H]1CCCO1)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1 3005864 QLIPKTHLFANTPY-AWEZNQCLSA-N 397.880 2.957 0 1 GFAF COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)cc1 3956361 KFBLAWNECUGGPB-OAQYLSRUSA-N 395.463 2.645 0 1 GFAF CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C 53312648 XNFJXAXHQOTCBS-QFIPXVFZSA-N 376.412 2.778 0 1 GFAF CC(C)(C)Cc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 28128762 NYYRDPKWQPJTRJ-QXAKKESOSA-N 398.459 2.886 0 1 GFAF O=C(NCc1ccc(F)cc1)C1=CC2=N[C@@H](C3CC3)C[C@@H](C(F)(F)F)N2N1 104038696 QEKWOVMJHIIPQN-HIFRSBDPSA-N 382.361 2.658 0 3 GFAF COc1cc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C=O)cc(OC)c1OC 27518415 BZCCYVICHARQHK-FQEVSTJZSA-N 385.420 2.627 0 1 GFAF CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(O)c(OC)c(OC)c1-2 27648784 NXDMYKGVXGOJAI-HNNXBMFYSA-N 384.432 2.602 0 1 GFAF O=C(CC1=CC(=O)O[C@H]2C=C(O)C=C[C@@H]12)NC1CCN(Cc2ccccc2)CC1 27440551 CWMJQAWGJPECRR-SFTDATJTSA-N 394.471 2.637 0 1 GFAF O=C1NC(=O)[C@H](S(=O)(=O)c2ccc3ccccc3c2Br)S1 29215625 HGYCRWNWEDNOBN-LBPRGKRZSA-N 386.248 2.685 0 1 GFAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)[C@H]1Cc2ccccc2N1 26375545 OAJOQLLFRSQRTN-IRLDBZIGSA-N 396.450 2.955 0 1 GFAF CC=C[C@@H]1C=C2C=C[C@@H]3C[C@H](C)CC[C@@H]3[C@]2(C)C(=O)[C@]12C(=O)N[C@H]([C@@H](C)O)C2=O 2356839827 LYRFDYFCOSNCHT-GVMXJNEWSA-N 397.515 2.751 0 1 GFAF CCOC(=O)c1nn(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 72177745 SJUNULSCQZMHTG-UHFFFAOYSA-N 384.388 2.927 0 1 GFAF Cc1c(Cn2ccn3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F 73312668 SHFNZWGTTMHHKB-UHFFFAOYSA-N 392.381 2.708 0 1 GFAF CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3cccc(S(C)(=O)=O)c3)nc12 144969824 OPDIWJLWMXZILR-UHFFFAOYSA-N 387.465 2.633 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CNC(C)=O 95894808 QIJQIIIFPLFXFT-TUNNFDKTSA-N 384.451 2.694 0 1 GFAF O=C1COCCN1CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143446414 XKRXPLUOTRHVSL-IBGZPJMESA-N 393.361 2.703 0 1 GFAF O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F 95893507 DYVLAKDHBIPRBF-HKBOAZHASA-N 394.446 2.942 0 1 GFAF O=C(O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O)N1CCN(c2ccccc2)CC1 254134974 VBQMMEXSTHWJJH-GSEOLPGOSA-N 383.492 2.735 0 3 GFAF S=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCSCC1)Nc1ccccc1 43527284 XIRPLXKNZDTNSI-ZIFCJYIRSA-N 390.622 2.732 0 1 GFAF biogenic O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 299879182 KIUONUXAPBRWKD-JZXOWHBKSA-N 383.473 2.625 0 1 GFAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)C1 299874311 BDXHQTVNOYZSIB-SVFBPWRDSA-N 377.444 2.515 0 1 GFAF O=C(O)/C=C1\[C@H]2Cc3ccc(O)cc3[C@@]1(CCCC(=O)O)CCN2CC1CC1 473224172 UVJXIPXZFLGNGR-MYENFURSSA-N 385.460 2.936 0 1 GFAF O=CNC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567861 AHVNDHXBIDEXBH-UGKGYDQZSA-N 375.380 2.995 0 1 GFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)s1 587023853 KPRNWEZCBXTWMC-UHFFFAOYSA-N 393.400 2.611 0 1 GFAF COc1ccc(C(=O)c2ccccc2-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc1F 587144249 KGGCUTHPWWIYBP-UHFFFAOYSA-N 379.351 2.517 0 1 GFAF Oc1nc(O)c2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2n1 587116507 ZXDINYVMCWPNKF-UHFFFAOYSA-N 376.092 2.607 0 1 GFAF COc1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)nn1-c1ccccc1F 587156848 SWCBQYIQNRGYBX-UHFFFAOYSA-N 388.380 2.810 0 1 GFAF CCOC(=O)[C@]1(c2ncccc2C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962766754 PAUXFBSRGWVDBD-KXBFYZLASA-N 392.377 2.842 0 1 GFAF COC(=O)/C=C1\CC[C@H]2[C@@H](C(=O)[C@H](O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C 1772586527 XHNJZNQQSVRBAW-JTZPYTRKSA-N 392.492 2.677 0 1 GFAF O=C([C@H]1CCN(c2ccccc2)C1=O)N1CCC(OCc2ccccn2)CC1 12308534 FOLPMHHZOIQJKB-HXUWFJFHSA-N 379.460 2.642 0 1 GFAF Cc1onc([C@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NCC2CC2)cn1 169685438 JNPJLUSXOXTGGB-NVXWUHKLSA-N 388.443 2.859 0 1 GFAF C[C@@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 206127458 NAEKFPKUXUOFOF-GFCCVEGCSA-N 390.490 2.717 0 1 GFAF COC1CCC2(CC1)Oc1ccc(CCC3CC3)cc1[C@@]21N=C(N)N(C)C1=O 201249985 ZMLOUJZIHIICJY-PZPSAWLHSA-N 383.492 2.731 0 1 GFAF COc1cc2cc(N(C)CCCNC(=O)[C@H]3CCCO3)cc(N)c2cc1OC 8664610 JOMJHJFVTAYZAM-GOSISDBHSA-N 387.480 2.561 0 1 GFAF in-vitro CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccoc1 101129185 XOVUJMYKTAPPTR-ZDUSSCGKSA-N 383.404 2.590 0 1 GFAF O=C(Cc1cccs1)N[C@@H]1CCN2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 25199363 LZNGPUYDVMAURF-CJNGLKHVSA-N 375.494 2.535 0 1 GFAF biogenic O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@H](Cc2ncc[nH]2)NC1=O 29127003 DAATYZFKUMYJPO-INIZCTEOSA-N 380.448 2.949 0 1 GFAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=CC(=O)O)[C@H](C)[C@@H]3[C@H](O)C(=O)[C@@H]12 2356527451 AKJOHBVQTUCYSB-CYKDJUFZSA-N 378.465 2.589 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CCC[C@H](C(=O)O)[C@]21C 2356580370 PLUOSPXAEMKKRW-HQQJGAKOSA-N 392.448 2.991 0 1 GFAF CC(C)CS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F 113488532 FAAMBXNVUIGUQX-UHFFFAOYSA-N 376.413 2.726 0 1 GFAF OC[C@@H]1[C@H](O)C[C@@H](NCc2ccccc2Cl)[C@@H]1Cc1ccnc(C2CC2)n1 2356761384 DLDNZRQBZHTLKQ-PIKOESSRSA-N 387.911 2.698 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCNCC5)C[C@@]43C)[C@@H]1CC[C@@H]2O 40957493 MBEPODKLEFVXLV-NQBGTIOHSA-N 376.585 2.635 0 1 GFAF COc1ccccc1N1CCN(Cc2cn3c(-n4cccn4)cccc3n2)CC1 89774819 BZHJMSJFFNOURP-UHFFFAOYSA-N 388.475 2.851 0 1 GFAF NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc3ccccc3c2)cc1 95586227 BPHGLAHPWFKRAW-UHFFFAOYSA-N 379.441 2.832 0 1 GFAF CCCCOC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O 95582266 XBDQGPFHYCDHEK-UHFFFAOYSA-N 387.455 2.842 0 1 GFAF CCC1=CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC 238743025 VCNYNWHVJKWJRQ-PEXNDPOOSA-N 382.460 2.968 0 1 GFAF CC1(C)CC[C@@H](O)[C@]1(C)c1ccc(C(=O)OCC[C@@](C)(O)CC(=O)O)cc1 473135878 UYLYUHNDNNVOPJ-HBGVWJBISA-N 378.465 2.898 0 1 GFAF O=[S@@](Cc1nc2c(O)nc(O)nc2[nH]1)C(c1ccccc1)c1ccccc1 586958157 DKBPVZYNHJVPMR-MHZLTWQESA-N 380.429 2.802 0 1 GFAF Cc1nn(CCO)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578888 BSMWVRRFUBDCDE-NQIIRXRSSA-N 380.400 2.901 0 1 GFAF CCOC(=O)Cc1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 587232273 VNCJGPGQTLUUSJ-CVEARBPZSA-N 387.480 2.705 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CN1[C@@H]3C[C@H](O)C[C@H]1C[C@@H]2C3 587591981 XPSAMUALZFJCGG-SDBUUMCLSA-N 393.439 2.710 0 1 GFAF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)NCc1ccccc1 13446601 KJJFMBTWERBWCG-FQEVSTJZSA-N 390.443 2.653 0 1 GFAF COC(=O)CSCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)Cc1ccccc1 13488394 MUBZHMHTJMLOHH-DOJOMBEPSA-N 391.533 2.824 0 1 GFAF CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Br 1857534638 PZZAKNGOXXCFDM-JTQLQIEISA-N 379.176 2.705 0 1 GFAF COc1cc2c(cc1OC)CN1[C@H](C(=O)O)Cc3cc4c(cc3[C@H]1C2)OCO4 1857568438 VIZBTLYHJHIQTH-CVEARBPZSA-N 383.400 2.541 0 1 GFAF Cc1ccc2c(N)c(C(=O)NCCc3ccc4c(c3)C[C@@H](C(=O)O)C4)sc2n1 1857581401 KFKVTFVKKCAABS-HNNXBMFYSA-N 395.484 2.959 0 1 GFAF CCN1CCN(c2cc(Nc3ncc(-c4cncnc4)s3)nc(C)n2)CC1 1857603118 WFHXOLHVOPFWCI-UHFFFAOYSA-N 382.497 2.584 0 1 GFAF COc1ccc(NC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cn1 100013288 DWOYLJHXYBPRPE-UHFFFAOYSA-N 388.383 2.747 0 1 GFAF CC(=O)N1CCCN(C(=O)c2onc(-c3ccc(Cl)cc3)c2[C@@H](C)O)CC1 2356312059 UHTLOYBCVDUGTR-GFCCVEGCSA-N 391.855 2.743 0 1 GFAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](N3CCCC3)C(=O)N21 26945354 VRMCCYJEFQGWSV-CMKODMSKSA-N 380.492 2.560 0 1 GFAF COc1cc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)c(O)cc1O 15271534 IBHBKQWTEARVCK-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)C1 73386593 IOPNAADUDMMVAZ-SECBINFHSA-N 378.299 2.987 0 1 GFAF Cc1ccc(NC(=O)C2(C)CCCCC2)cc1S(=O)(=O)N1CCOCC1 40402120 KLRDRQKZOQEROV-UHFFFAOYSA-N 380.510 2.925 0 1 GFAF CS(=O)(=O)NC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 221835293 OIWGENXCURWSQC-UHFFFAOYSA-N 386.351 2.647 0 1 GFAF CCn1cc(Nc2nc3c(Oc4ccc(S(C)(=O)=O)cc4)cccn3n2)cn1 148178967 KSNFPTLPRIMAQM-UHFFFAOYSA-N 398.448 2.885 0 1 GFAF CC(C)C[C@@](C)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O 146392960 RVBXBHMQWZQHMG-QGZVFWFLSA-N 387.402 2.920 0 1 GFAF CC[C@@H]1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1C(C)C 96272641 PMMISILPBLQWSZ-GFCCVEGCSA-N 383.481 2.960 0 1 GFAF CC1(C)OC[C@@H](CNC(=O)c2cnn(-c3cc(Cl)ccc3Cl)c2N)O1 299851127 YMZKUERLWXEDOF-SNVBAGLBSA-N 385.251 2.643 0 1 GFAF COC(=O)c1ccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2c1 587226727 XRZKNOMPEFOYKZ-UHFFFAOYSA-N 397.431 2.929 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C)([C@@](C)(OC(C)=O)C(=O)OCC)CC2=O 587488461 ZXZVOWXCLMXSJC-UXHICEINSA-N 378.421 2.954 0 1 GFAF Fc1cccc(Cn2nnc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2Cl)c1 587162978 YSNXFPSVRLDHDQ-UHFFFAOYSA-N 395.789 2.638 0 1 GFAF CCOC(=O)[C@](NC(=O)CC)(Nc1nc2c(s1)CCCC2)C(F)(F)F 5950702 OQUWJEFZWZDTLK-AWEZNQCLSA-N 379.404 2.782 0 3 GFAF CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)Nc4cc(C)on4)cc3)C(=O)[C@H]21 13139173 MNXBSYVVUROKIR-MOIQIXESSA-N 377.400 2.937 0 1 GFAF CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)nc(F)nc21 13839125 LKXDDJNWYCQBIX-UHFFFAOYSA-N 389.431 2.964 0 1 GFAF O=C(NCC1CCOCC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167517974 WGOBJVJTATVRHF-UHFFFAOYSA-N 380.448 2.786 0 1 GFAF Cc1ccc(CNC(=O)Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)cc1 6916387 STJDSSOOZODJOH-UHFFFAOYSA-N 392.381 2.687 0 1 GFAF O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2CCO)C[C@H]2CC[C@H]1N2 100632779 GSGOSZTWXXTXDZ-RDTXWAMCSA-N 382.485 2.816 0 1 GFAF CC[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(CC(=O)O)cc1 27630583 FSGZUUBFTYAIOW-FXAWDEMLSA-N 382.416 2.797 0 1 GFAF Nc1nc2ncn(Cc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2c(=O)[nH]1 27182107 WTMPTPFAYWCQMZ-UHFFFAOYSA-N 394.822 2.656 0 1 GFAF O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F 28230690 DZZBKQBSJLUSOL-HNNXBMFYSA-N 389.420 2.603 0 1 GFAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccco5)n4)CO[C@H]23)cc1 5434195 SLYWBELHRIKZSK-MTFMMBMASA-N 379.416 2.900 0 1 GFAF biogenic COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82080999 RVQTWDCMYLZDAG-OAHLLOKOSA-N 394.383 2.584 0 1 GFAF CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@@H](C(C)C)N2 82206728 CECNKDRZGFOXCF-HNNXBMFYSA-N 376.501 2.779 0 1 GFAF CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OC[C@H]1CCCN1C 82082665 UNWZKGFGSVPJOQ-CJNGLKHVSA-N 391.493 2.795 0 1 GFAF CCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195068914 BPECEJDPRFPPQD-XWGGYKFUSA-N 395.499 2.919 0 1 GFAF CNC(=O)C[C@](C)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C1CC1 146197483 OXCWDJBBNIVBSM-SFHVURJKSA-N 399.413 2.935 0 1 GFAF NC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1)c1ncc(CO)s1 1772606722 BCGYPAUBMXRDJQ-OAHLLOKOSA-N 394.859 2.853 0 1 GFAF Cn1cc(C2=C(c3cn(CCO)c4ccccc34)C(=O)NC2=O)c2ccccc21 13451553 SCANCBOXHLJFBT-UHFFFAOYSA-N 385.423 2.693 0 1 GFAF O=C1[C@@H]2CCCCN2C(=O)N1CN1CCN(c2cccc3ccccc23)CC1 13489207 ZQFGUYSBGPXRKA-FQEVSTJZSA-N 378.476 2.736 0 1 GFAF CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1C2 19365713 OWKRYFAFKQFHCE-UHFFFAOYSA-N 393.531 2.932 0 1 GFAF CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccco2)cc1 169687356 SYACAHCUKULFTE-YTQUADARSA-N 397.427 2.809 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC[C@@H]3COC[C@H]3C2)cc1)N1Cc2ccncc2C1 167857720 XLDPBSVADZSUQK-IEBWSBKVSA-N 392.459 2.738 0 1 GFAF Cc1cc(=O)n2nc(N3CCC(C(=O)Nc4cccc(C)c4C)CC3)sc2n1 5148901 CZVSJDRWXPTQIR-UHFFFAOYSA-N 397.504 2.931 0 3 GFAF Cc1cccc(N2CC[C@](O)(C(=O)NCc3cc(F)cc(Cl)c3)C2=O)c1 147220624 XYVDRUOIHMNQSK-IBGZPJMESA-N 376.815 2.572 0 1 GFAF COc1cc([C@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc(OC)c1OC 1493880 MDKFBOKRJCLOEH-HXUWFJFHSA-N 385.420 2.842 0 1 GFAF Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC(C)(C)C)C2CCCC2)c1 4092428 JRVGFIDNSQBKPW-UHFFFAOYSA-N 388.512 2.795 0 3 GFAF OC[C@@H]1[C@H](O)C[C@@H](NCc2cccc(Cl)c2)[C@@H]1Cc1ccnc(C2CC2)n1 2356288647 ILMHFLKWCMXTMV-IYWMVGAKSA-N 387.911 2.698 0 1 GFAF Cc1nnsc1C1=NN[C@@H]2SC(c3ccc(OC(F)(F)F)cc3)=NN12 103206371 PCOOANYQYXXJNW-LBPRGKRZSA-N 386.384 2.704 0 1 GFAF COc1ccccc1C(=O)NC[C@@H]1COCc2nc3cc(NC(C)=O)ccc3n21 2356302324 ROAHDPMJIXPVBA-OAHLLOKOSA-N 394.431 2.505 0 1 GFAF O=C(N[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1C(=O)O)c1ccc2ccccc2c1 28253364 YRXLYNBBOAEXLY-PMACEKPBSA-N 388.423 2.681 0 1 GFAF COc1cc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C=O)cc(OC)c1OC 27518416 BZCCYVICHARQHK-HXUWFJFHSA-N 385.420 2.627 0 1 GFAF O=C1CCCN1CCOc1cnc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 116909675 NDBOAALHAWZWJJ-SFHVURJKSA-N 378.350 2.861 0 1 GFAF CN1C[C@H](c2cnc[nH]2)[C@H]([C@@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 2356583870 KRIWASATEVGMCG-YZGWKJHDSA-N 375.428 2.971 0 1 GFAF CNCCN1C(=O)[C@@H](OC(C)=O)[C@H](c2ccc(O)cc2)Sc2ccccc21 26962132 WRFWPKPPSGMXIS-OALUTQOASA-N 386.473 2.723 0 1 GFAF COCCNC(=O)[C@H]1CCCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 61928316 UFDBJFCFXVSULJ-KRWDZBQOSA-N 390.524 2.754 0 3 GFAF Cn1c2c(c3c1C1(CNC1)CNC3=O)CCc1cnc(-c3ccccc3F)cc1-2 72110252 RWTCBSWLANXVDA-UHFFFAOYSA-N 388.446 2.576 0 1 GFAF CC(=O)Oc1ccc([C@H]2OC(c3ccc4c(c3)OCCO4)=NN2C(C)=O)cc1 73198936 ODGXRHXBDPVTID-HXUWFJFHSA-N 382.372 2.622 0 1 GFAF COc1cc2c(c3oc(C)cc(=O)c13)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 15263890 HIHYKIOZPNTJQD-RTBURBONSA-N 390.388 2.817 0 1 GFAF biogenic COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2CCCCC2)CC1 43011099 VNCDPAWJCNFFCR-UHFFFAOYSA-N 394.947 2.611 0 1 GFAF COc1ccc(-n2cnc3c(sc4ncnc(N(C)C5CC5)c43)c2=O)cc1 95558467 LYMJGMPDRHNJCS-UHFFFAOYSA-N 379.445 2.998 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)C3CC3)C23CN(C(=O)NC(C)C)C3)cc1 95668460 CEIDEBHYTMEGBM-UVEXCMSLSA-N 397.519 2.589 0 1 GFAF CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccccc1 95895036 ALCJIKHKHIBHCU-HBMCJLEFSA-N 395.503 2.706 0 1 GFAF C[C@@H](Oc1nn(-c2ccccc2F)c2ccc(F)cc12)C(=O)N1CCOCC1 653852843 VEUTYUARWSZCHF-CYBMUJFWSA-N 387.386 2.930 0 1 GFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)c(Cl)nc2[nH]1 586930160 NEIZDKNCNHTPNE-UHFFFAOYSA-N 387.248 2.800 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(C(=N)N)cc4[nH]3)cc12 587039514 YGTBNMRCEYQLQX-VIFPVBQESA-N 381.465 2.595 0 1 GFAF COC(=O)[C@@H]1C[C@@]2(CCN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346114 RJUAQKVPHHWBLM-LQBOVUBWSA-N 399.418 2.896 0 1 GFAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963029402 RTSLSMAVWJNFTN-JLCFBVMHSA-N 377.444 2.724 0 1 GFAF COc1ccc2c(c1OC)[C@@]1(C[C@@H]3CCO[C@@H]31)N(C(=O)c1ccccc1N)CC2 963139835 LMCVMWKKDUFNBL-VSUDMRMVSA-N 394.471 2.989 0 1 GFAF CCOC(=O)[C@@H](Cc1ccccc1)[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963526255 NZOGDPAAXFGYKS-CMKODMSKSA-N 383.444 2.763 0 1 GFAF CN1CCc2cn(C)nc2[C@@]1(C)c1ccc(OCC(=O)N2CCCCC2)cc1 963956584 YTUBSXXPOHFUEK-JOCHJYFZSA-N 382.508 2.563 0 1 GFAF O=C(C[C@@H]1SC(NN/C=C2\C=Nc3ccccc32)=NC1=O)Nc1ccccc1 15974319 FKLNIWGINAZNRT-UJGDBWEASA-N 391.456 2.864 0 3 GFAF O=C(NCc1ccco1)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 169302864 ACXNWTBYDQPFGM-SFHVURJKSA-N 381.432 2.692 0 3 GFAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C(C)=O)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]341 169343461 OHTVSMGBAJOEFI-RBJFXJGXSA-N 381.472 2.529 0 1 GFAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NCCCCO)cc1)C2 166830588 GYBXRFMBPIOHNC-UHFFFAOYSA-N 378.432 2.608 0 1 GFAF COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(OC)nc32)cc1 4238708 JEURQJHCDAVPKS-UHFFFAOYSA-N 388.427 2.978 0 1 GFAF COc1cc(-c2cnc3c(N4CCC(C(N)=O)CC4)snc3c2)ccc1N 1857634099 HGRGEWAOAPUKOW-UHFFFAOYSA-N 383.477 2.651 0 1 GFAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4040618 JIVFPOLGVJBIKA-DCPHZVHLSA-N 384.480 2.504 0 1 GFAF CO[C@]12C=C[C@@]3(C[C@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@@H]2O5 29208891 VAGUZCYSBGOWIA-RIGSFYRDSA-N 395.499 2.528 0 1 GFAF CN(C)CCSc1nc2nncc-2c(O)n1-c1ccc(Br)cc1 103976787 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380.448 2.840 0 1 GFAF O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCCCCC1 2952625 DOZZKAIFRSLFFL-UHFFFAOYSA-N 377.444 2.624 0 1 GFAF Cc1cc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)no1 104038800 JMGFZZWQVUGLHS-SKDRFNHKSA-N 381.314 2.693 0 3 GFAF CCCCNC(=O)[C@H](c1ccccc1)N1C(=O)C[C@@H]1C(=O)OCc1ccccc1 28524360 ITRGJDGWDLFSCE-CTNGQTDRSA-N 394.471 2.988 0 1 GFAF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CC[C@@H](O)C3)c(F)cc2c1=O 29340138 WLZNGGFZZWSGJT-CYBMUJFWSA-N 386.354 2.538 0 1 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4C(F)(F)F)C[C@@H]3C2)n1 116825592 FEGRSJWBCANIGL-ZIAGYGMSSA-N 391.397 2.716 0 1 GFAF CC(C)NC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 2356681402 STXAKAMTPHRWDX-AEFFLSMTSA-N 380.448 2.568 0 1 GFAF CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1 73295176 QDACXVFLMYEEMN-UHFFFAOYSA-N 388.449 2.597 0 1 GFAF COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[C@H]1SC(=N)NC1=O 45245708 OJAVDLQVOWZPEG-GFCCVEGCSA-N 389.458 2.697 0 1 GFAF O[C@H]1[C@H](O)CO[C@@H](c2cn(Cc3ccc(C4CC4)cc3)c3c(F)cccc23)[C@@H]1O 84668794 CKZTXDAVNGXTHM-PNJWGLBASA-N 397.446 2.860 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccccc2)cc1 95895643 GORVFQJRTXHRGE-XIUZFQELSA-N 378.472 2.825 0 1 GFAF CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@@H]21 95893999 ZLBPYPDXAFKISJ-GBESFXJTSA-N 387.386 2.692 0 1 GFAF [C-]#[N+]c1ccc(N2CCC[C@H](NC[C@H](O)c3ccc4c(c3C)COC4=O)C2)nc1 261177986 VIQHSFVRXXYYNC-JXFKEZNVSA-N 392.459 2.903 0 1 GFAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 299884999 UUERVZOSVGQPSA-CMBBURJTSA-N 399.491 2.961 0 1 GFAF CN1CCN(c2ccc(-c3cncc(-c4ccc5c(=O)[nH][nH]c5c4)n3)cc2)CC1 299820650 GNFSJJGDYLBIER-UHFFFAOYSA-N 386.459 2.732 0 1 GFAF O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN12 653719104 PEGQRBZZHQQJPW-VXKWHMMOSA-N 396.450 2.870 0 1 GFAF CCOC(=O)C[C@@H](C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC 587441649 LNVHLXOIKRYIAC-KUUHDYPXSA-N 390.432 2.724 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCC(N)=O)c1)CC2=O 587469071 HQJBIZHGEMGXJJ-SFHVURJKSA-N 385.416 2.924 0 1 GFAF CC(=O)N1CCN(c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587400847 RGTJVFKQEAMXMX-OAQYLSRUSA-N 379.460 2.952 0 1 GFAF O=C(O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)s1 587564023 NGLFRYUNZKOTIF-UHFFFAOYSA-N 396.222 2.944 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(C(=O)OCC)CC2=O 587479731 JCEAQRFPHNAKRN-FQEVSTJZSA-N 378.421 2.955 0 1 GFAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(C)C 586933147 NBUTWAGTSIXVEA-CQSZACIVSA-N 397.497 2.775 0 1 GFAF O[C@H](c1ccc(Br)cc1)c1nc2nc(Br)c[nH]c-2n1 586997782 UWRKSMMWHGUUBM-SECBINFHSA-N 384.031 2.911 0 1 GFAF CCc1cc(O)nc(SCc2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 586966546 IBGMZYGJSYXXOM-UHFFFAOYSA-N 385.493 2.745 0 1 GFAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587934361 CSUBYDQNMZLHPP-XIKOKIGWSA-N 389.477 2.659 0 1 GFAF COc1cccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599863 IJBJAIHBIBULMS-AVRDEDQJSA-N 394.379 2.569 0 1 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O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 587201742 BXPCXZMQQSRSGU-CQSZACIVSA-N 383.360 2.734 0 1 GFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587204931 VCHANMFSFNMCHO-SFHVURJKSA-N 392.459 2.873 0 1 GFAF O=C(O)CCC1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602669 JPVCAVJSWFCQED-KRWDZBQOSA-N 386.356 2.822 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 587232059 SFHZCDYLMAXKNL-NXEZZACHSA-N 399.264 2.896 0 1 GFAF O=C1[C@@H]2CCCCN2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 13760043 SWCCQPRTNNEVAJ-INIZCTEOSA-N 396.413 2.602 0 1 GFAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NC(C)=O 169321453 MOHAYTNTOXKPQI-RBFHUNFKSA-N 395.540 2.621 0 1 GFAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](C1CCCCC1)NCC3 209533262 GKBWPONPNCNOPC-SFHVURJKSA-N 392.503 2.930 0 1 GFAF Cc1ccc(SC[C@@H](CF)O[C@@H](C)n2cnc3c(=O)[nH]c(N)nc32)cc1 1855791 QOGHWQPMXJWPAI-NWDGAFQWSA-N 377.445 2.676 0 1 GFAF CCc1cc(Br)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O 2021189 YKRGOSHQVJQEJE-LBPRGKRZSA-N 385.302 2.940 0 1 GFAF COc1ccc([C@@H]2Oc3c4c(cc(O)c3C(=O)[C@@H]2O)OC(C)(C)CC4)c(O)c1 2356400402 YOVXQNOKBPXHOT-ICSRJNTNSA-N 386.400 2.887 0 1 GFAF CC1=C[C@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356370511 AZYFBPHCLITMSJ-OTWHNJEPSA-N 389.540 2.932 0 1 GFAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)C1CCC1 2356286924 SQCIGRLJHPPUDW-HBFSDRIKSA-N 388.439 2.848 0 1 GFAF COc1ccc(CCNC[C@H](O)C(=O)Oc2cccc3ccccc23)cc1OC 25974299 ANQBCBHPVKDLLP-IBGZPJMESA-N 395.455 2.956 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(F)c3)C2=O)cn1 115731653 CRSPWRLXFSRFTN-UHFFFAOYSA-N 383.383 2.644 0 1 GFAF CS[C@@H]1NC(=O)[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)N(C)C1=O 2356796743 NMQSSHOBHPHGEF-QFBILLFUSA-N 394.562 2.911 0 1 GFAF CO[C@@H]1CC=C2NN(c3cc4ccccc4[nH]3)C(=O)C[C@]2(c2ccncc2)O1 66259643 WKYJHSHXNQDHPH-LEWJYISDSA-N 376.416 2.976 0 1 GFAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(OC)c(OC)c1)C2 36388549 RFTQSRXVMIVTGQ-GOEBONIOSA-N 388.464 2.987 0 3 GFAF CCCCN(CCCC)Cc1cn(C[C@@H](O)COC(=O)c2ccccc2)nn1 73197307 WXOMIAOHFRJWHR-HXUWFJFHSA-N 388.512 2.898 0 1 GFAF COc1ccc([C@@](C)(O)c2nc(N3CCC(O)CC3)nc3ccccc23)cc1 1911582147 IMEYTVCMRHEHCM-JOCHJYFZSA-N 379.460 2.855 0 1 GFAF Cc1ccc(NC(=O)c2cnccn2)cc1-c1ccnc(N2CCOCC2)c1 225999257 BCZWXKUETCZJNL-UHFFFAOYSA-N 375.432 2.936 0 1 GFAF C/C=C1\CN2CCc3c([nH]c4cc(OC)ccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 238746447 BCRDPGDQDVFPNE-AWPITERFSA-N 384.476 2.823 0 1 GFAF O=C1N[C@H](Cc2ccccc2)COCn2nncc2CC[C@H]1Cc1ccccc1 95663788 GCRQLEHINYBJQK-LEWJYISDSA-N 390.487 2.785 0 1 GFAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccccn3)cc21 95560464 WFQYNLUPNZYOHZ-HNNXBMFYSA-N 382.416 2.911 0 1 GFAF C[C@@H]1CNC(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)CCn2nncc2COC1 95660997 GABXPMVNYXBBOJ-HIFRSBDPSA-N 396.413 2.828 0 1 GFAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 618005386 ICWYVWJVCSRLQT-FUHIMQAGSA-N 387.524 2.902 0 1 GFAF Cc1ccc2c(n1)SCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2 653766990 ZOEYPWOMIXAXOI-UHFFFAOYSA-N 385.474 2.844 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(SCC(=O)O)ccc21 587409173 KRGDUFYIQILJNI-IBGZPJMESA-N 384.413 2.567 0 1 GFAF N[C@H](N=O)c1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587203078 NFYNDROESJMMLI-DOTOQJQBSA-N 397.391 2.729 0 1 GFAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587141860 DMNMKHPWRGRKKB-UHFFFAOYSA-N 388.193 2.918 0 1 GFAF COc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cn1 586952702 GCLZXJKDXRMNMQ-UHFFFAOYSA-N 387.446 2.891 0 1 GFAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccccc1NC=O)[C@@H](C2)C3=O 587433212 OZBYMQOIBAKJBL-YCRPNKLZSA-N 381.384 2.771 0 1 GFAF CCC[C@]1(CNC(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522710 GLHZOUASHWWOQW-VBKZILBWSA-N 378.469 2.820 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2=O 13520000 ALBNSVAJDFJRKQ-DNKQKWOHSA-N 384.494 2.677 0 1 GFAF biogenic,in-vitro CC1=CC(=O)N(Nc2ncc(C(=O)OC(C)(C)C)c(-c3cccs3)n2)C1=O 13818230 ZRSLONPGMQLGIL-UHFFFAOYSA-N 386.433 2.802 0 1 GFAF CCc1[nH]c2nc(Sc3cncnc3)nc(N3C[C@@H]4C(N)[C@H]4C3)c2c1Cl 103084655 OOKWYXHTSPTWDS-UWVGGRQHSA-N 387.900 2.508 0 1 GFAF Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1 103256498 HBLUENCDTVSVQJ-UYAOXDASSA-N 389.471 2.592 0 1 GFAF COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C 66259773 XJHWRIGSWYOTNN-PMACEKPBSA-N 378.472 2.776 0 1 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ncoc4-c4ccccc4)C[C@H]3C2)n1 116822059 OAYYPEVCHFJEPN-HDICACEKSA-N 389.459 2.957 0 1 GFAF COc1cc(O)c2c(c1OC)C=CCCC(=O)[C@@H](O)CCC[C@H](C)OC2=O 2356581736 IXWZTCKQQIAFGC-WFASDCNBSA-N 378.421 2.862 0 1 GFAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]4([C@@H]2C(=O)OC)[C@H]2[C@@H](OCC)ON3[C@@H]12 2356799627 UQNGTWIWTORQLU-DWVNQAJQSA-N 380.444 2.756 0 1 GFAF CC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccc(C(C)=O)cc2)cc1 39980631 YETGMDIHKNICIX-UHFFFAOYSA-N 395.444 2.798 0 1 GFAF COC1=C[C@]2(Oc3ccc(-c4ccc5c(c4)OCO5)cc3C2=O)C(OC)=C[C@H]1O 73166560 UAGMWZCUVFUKDE-QRQCRPRQSA-N 394.379 2.831 0 1 GFAF CC(C)Oc1ccc(-c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 45358239 LICYGABGIVHXQG-SFHVURJKSA-N 392.411 2.542 0 1 GFAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)CO 222401422 QYKGYRLGHZIFTF-UHFFFAOYSA-N 383.427 2.541 0 1 GFAF CCn1cc(Cc2nc3c(Oc4ccc(S(C)(=O)=O)cc4)cccn3n2)cn1 96169730 QUUOUORDEGVWGJ-UHFFFAOYSA-N 397.460 2.732 0 1 GFAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCC1CCCCC1 299818796 AONDADXKJDKKDS-UHFFFAOYSA-N 386.452 2.989 0 1 GFAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(CC(F)F)n2)cc1OC(F)F 653682841 PMQMACUQTFYYKT-UWVGGRQHSA-N 399.348 2.507 0 1 GFAF COC(=O)C(=O)C[C@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516674 ZIOINKZQDNSTHX-QFIPXVFZSA-N 379.412 2.953 0 1 GFAF N=c1nc(O)c2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2[nH]1 587030747 HWBCWQDHPKVYDI-UHFFFAOYSA-N 377.227 2.697 0 1 GFAF C[C@@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962705963 GRHPDBAEPOYWPL-AEFFLSMTSA-N 397.418 2.999 0 1 GFAF CCN1CCN(c2ccc(S(=O)(=O)Oc3ccccc3OC)cc2)C1=O 1772593754 CRCUAPADVZHGHP-UHFFFAOYSA-N 376.434 2.725 0 1 GFAF CCOC(=O)c1cc2c(c(CCn3cnc4c3NC=NC[C@H]4O)c1)CCCC2 13861945 CNOMRJLBANYXCZ-GOSISDBHSA-N 382.464 2.669 0 1 GFAF O=S1(=O)CCCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2c(F)cccc21 148576859 FRYFCYONWFKTDZ-CQSZACIVSA-N 394.443 2.859 0 1 GFAF COc1ccc(C(=O)NCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1OC 4668250 FDEZWAOXVFCNTJ-SFHVURJKSA-N 398.459 2.543 0 1 GFAF O=C1O[C@@H](COc2cccc[n+]2[O-])CN1c1ccc(C2=CCOCC2)c(F)c1 27412728 XBIINEOVXHXMDJ-MRXNPFEDSA-N 386.379 2.667 0 1 GFAF CCN(CC)C[C@@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 22863734 CNAPNWNCRWDJDE-ROUUACIJSA-N 386.540 2.947 0 1 GFAF CC(=O)O[C@@H]1C(=O)[C@H](C)[C@]2(CC[C@]3(CO[C@H](O)C3)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356648333 WYYAQYOZQLIYRP-CHJBZUJLSA-N 394.508 2.996 0 1 GFAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNC[C@@H](F)c2cccc(F)c2)c1 72181063 NOLWAWWUERSXHH-AHRSYUTCSA-N 390.478 2.559 0 1 GFAF COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@H]2C(C(C)=O)=COC[C@H]2[C@@H](C3=O)N1C 14417374 RKVHXLFGCIDETB-UQWBFEFOSA-N 380.444 2.864 0 1 GFAF biogenic CCS(=O)(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 210709376 IWXCHSRQTADSCH-LLVKDONJSA-N 388.453 2.602 0 1 GFAF COc1cc(C[C@H]2[C@@H](O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc2c1OCO2 14770296 OESUUVYVASHNOY-ZSDSOXJFSA-N 386.400 2.519 0 1 GFAF biogenic COc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12 72177198 BTTVJKUPEPLYOO-UHFFFAOYSA-N 391.519 2.908 0 1 GFAF COc1ccc2c(c1O)N(C(C)=O)[C@@H]1CC[C@]34CCCN5CC[C@]21[C@@]53OCC4 14857153 QGGACCULAHXNDK-KDXIVRHGSA-N 384.476 2.770 0 1 GFAF biogenic COc1ccc(C(=O)NCc2cccc(C(=O)NCCc3ccncc3)c2)cc1 45357251 WWPWTEOCRKWNBN-UHFFFAOYSA-N 389.455 2.993 0 1 GFAF COc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](C)CN3)cc1 82210986 UMTNXVKIFWIAEK-ZDUSSCGKSA-N 398.488 2.727 0 1 GFAF CN(C(=O)C12[C@@H]3C4[C@@H]1[C@H]1C4(C(=O)C45C6C7C4C4C5C6C74C)[C@H]3C12C)C(C)(C)C 195495444 MVEPNNJIZFXFLP-AVEUPKAVSA-N 375.512 2.698 0 1 GFAF CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3)C[C@@H]21 95893564 CUGWRXNQOXUBLM-XUVXKRRUSA-N 394.475 2.985 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@H]23)cc1 95866181 VEPFCBZYAVFBSZ-SCLOWVIKSA-N 376.456 2.531 0 1 GFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799124 WHDWIBSTQPQBIB-KAFUJRNTSA-N 397.288 2.821 0 1 GFAF COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c2ccccc12 587560809 GYOPNAVRUJMNGO-UHFFFAOYSA-N 377.356 2.892 0 1 GFAF Cc1nn(C)c(C)c1[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758042 PBNLIMZZPASUJH-QPFGOUBPSA-N 396.260 2.801 0 1 GFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cncc(Br)c2[nH]1 587223740 FMHBMAGVHHCRQV-JTQLQIEISA-N 375.226 2.804 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2c1 587243014 ATXMLQRFSRFAGP-UHFFFAOYSA-N 387.465 2.751 0 1 GFAF COc1cc2c(cc1OC)[C@]1(NCCc3cc4cccc(OC)c4nc31)C(=O)N2 963060704 WEEHAWQMWLRJAU-JOCHJYFZSA-N 391.427 2.602 0 1 GFAF Cc1c2c(nn1C)[C@@](c1ccncc1)(c1cccc(Cl)c1)N[C@@H](C(=O)O)C2 962704919 DTFVARTUTFABKA-YLJYHZDGSA-N 382.851 2.668 0 1 GFAF CC(C)CN1C(=O)[C@]2(NC[C@@H]3CC(=O)N(C)c4cccc2c43)c2ccccc21 963021515 HPUQVXDQTMKOQK-WNSKOXEYSA-N 375.472 2.986 0 1 GFAF COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1[C@@H]1NCCc2ccc(O)cc21 963329559 OOLIGUTWUFESLN-LJQANCHMSA-N 382.416 2.912 0 1 GFAF C[C@]1(O)OC(=O)C(Sc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 13488623 BJXHPQCXFDPUCE-SFHVURJKSA-N 376.455 2.859 0 1 GFAF CO[C@]12C=C[C@]3(C[C@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@@H]2O5 169365199 VAGUZCYSBGOWIA-JNPPBCNJSA-N 395.499 2.528 0 1 GFAF O=C(CCCn1sc2ccccc2c1=O)N1CCN(c2ccccn2)CC1 6800130 VIOZRTQVFVQXNI-UHFFFAOYSA-N 382.489 2.587 0 1 GFAF CSc1ccc2c(c1)c(O)c(S(=O)(=O)N(C)c1ccccc1)c(=O)n2C 101258694 YDPQIDLMPWLECH-UHFFFAOYSA-N 390.486 2.791 0 1 GFAF COc1cc2nc(N3CCN(C(=O)c4ccccc4)CC3)cc(N)c2cc1OC 25983903 OSYWJTLQNPVIKQ-UHFFFAOYSA-N 392.459 2.797 0 1 GFAF COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc(O)c1OC 15271636 QKPGTCGYUWJVNT-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic CNC(=O)N1CCc2cc3c(c4c2[C@H]1Cc1ccc(OC)c(OC)c1-4)OCO3 13380119 FOASHMUOZJBSKS-CYBMUJFWSA-N 382.416 2.894 0 1 GFAF biogenic CC(=O)O[C@@H]1Cc2cc3c(cc2C2=NCc4c(ccc5c4OCO5)[C@]21C)OCO3 13380155 MGTASFKHNQIQPG-KNQAVFIVSA-N 393.395 2.892 0 1 GFAF biogenic CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196013 LJWUPDZJWCUZJF-UHFFFAOYSA-N 382.386 2.849 0 1 GFAF O[C@](CNCc1ccncc1)(Cn1cncn1)c1ccc(Cl)cc1Cl 40864777 OMELXDGHXZBRMK-QGZVFWFLSA-N 378.263 2.658 0 1 GFAF COC[C@@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(NC(C)(C)C)nc34)[nH]c21 222464645 DSUSEZJHVSEHGF-HNNXBMFYSA-N 395.463 2.570 0 1 GFAF CCc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cs1 82069011 UMYDDSOJUXQYRC-MRXNPFEDSA-N 383.473 2.956 0 1 GFAF Cn1cc(-c2ccc3[nH]nc(-c4cc(N5C[C@H](F)[C@@H](F)C5)ncn4)c3c2)cn1 225558075 MEKOCSOWSUPCIM-GJZGRUSLSA-N 381.390 2.917 0 1 GFAF Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)o1 82225305 GONAPPRDEDUMSL-CQSZACIVSA-N 381.411 2.948 0 1 GFAF CCCCCCNC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccccc1 96020321 ATNUIRLTINTZJP-QGZVFWFLSA-N 384.567 2.630 0 3 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC(C)C)C(=O)c1ccccn1 95895968 JYEONRJNSJJOQW-BDTNDASRSA-N 395.503 2.555 0 1 GFAF CCn1cc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cn1 96169728 BBLVELRPVZJYET-UHFFFAOYSA-N 382.449 2.760 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587834623 LRGUJQUHBJCISP-YOIRWDDOSA-N 386.261 2.917 0 1 GFAF COc1ccc(CN(C)Cc2cccnc2)c(OC[C@@H](O)CN2CCCC2)c1 12449295 JUEZUMNNLZMQLO-FQEVSTJZSA-N 385.508 2.558 0 1 GFAF N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 13553590 CJHLRGCXPGIPCB-MOPGFXCFSA-N 385.895 2.517 0 1 GFAF in-vivo N[C@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@@H]1c1cc(F)c(F)cc1F 14958799 DIRIFWIKLRTNMB-DYVFJYSZSA-N 392.377 2.719 0 1 GFAF in-vivo CCc1cc(-c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)nc(N)n1 116227926 USULOOHPZFLJHY-UHFFFAOYSA-N 388.479 2.953 0 1 GFAF CC1(C)Oc2ccc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)cc2C[C@H]1O 2356597610 OFDJVCBYZMERME-QZTJIDSGSA-N 382.412 2.904 0 1 GFAF CCn1nccc1Nc1cc([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn12 66101689 RLJPBCQMVIJTBN-CQSZACIVSA-N 391.483 2.557 0 1 GFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2F)[C@@H]3C)n1 218862139 OZEMPZBRQPJERB-MRVPVSSYSA-N 376.392 2.600 0 1 GFAF COc1c2c(cc3c1OCO3)[C@@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)OC[C@@H]1C2 86042564 CCJWJASNEQOVDI-UZCIPKQKSA-N 382.368 2.630 0 1 GFAF biogenic,in-vitro COc1ccc(C[C@@H](CO)Oc2ccc(CCCO)cc2OC)cc1OC 82154467 MWNKZXPDVFFATH-KRWDZBQOSA-N 376.449 2.620 0 1 GFAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@@H](NCCCc4ccccc4)CO[C@@H]23)n1 25432202 FVPIGFJANQFGHP-ZSXPUABSSA-N 396.535 2.943 0 1 GFAF biogenic C/C=C/c1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 473126059 ZAIZBRRRSNEJSF-GQCTYLIASA-N 381.524 2.688 0 1 GFAF O=C1CCc2cc(S(=O)(=O)NNc3ccc(Br)cc3)ccc2N1 653701699 JMRGEFIAYIVLSG-UHFFFAOYSA-N 396.266 2.639 0 1 GFAF N=c1[nH]ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586961004 RQFNVVBYXOMRFF-JOCHJYFZSA-N 379.283 2.873 0 1 GFAF CN(CC(=O)O)S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587216635 IGTMYVAHXBITHY-UHFFFAOYSA-N 382.441 2.706 0 1 GFAF N=c1[nH]c2nc(C[C@@H](N)c3ccc(Br)cc3F)nc-2c(Cl)[nH]1 587143158 YPTRIYWNLZJFEW-MRVPVSSYSA-N 385.628 2.515 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)O)O2 587393142 GIFZJHIPYGFZLF-HTAPYJJXSA-N 380.444 2.888 0 1 GFAF CCCc1cn([C@@H]2CCN(C(=O)c3ccccc3N=c3cc[nH]cc3)C2)nn1 1772618184 MXFUKDHWCOKHRW-GOSISDBHSA-N 376.464 2.878 0 1 GFAF Cn1cnc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](Nc3ccccc3)C2)c1 225853556 FRPYSHYFXSVLBY-MOPGFXCFSA-N 382.489 2.689 0 1 GFAF COc1ccc(OCc2cccc(C(=O)O)c2)cc1Cc1cnc(N)nc1N 3641197 JQUDVRQNCIBTMP-UHFFFAOYSA-N 380.404 2.518 0 1 GFAF CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C[C@H]3CCCO3)c2n1 4239093 CWMIRIPYLCPVHY-CQSZACIVSA-N 387.390 2.743 0 1 GFAF COCCNC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 6806412 MMNKVHDVSYIABR-UHFFFAOYSA-N 388.468 2.963 0 1 GFAF CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 104042329 CXSKFQYQAVSDMQ-INIZCTEOSA-N 385.424 2.845 0 1 GFAF CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](COC(C)(C)C)C(=O)N21 26960787 BMEMIDCWPDBZLO-AOIWGVFYSA-N 383.492 2.932 0 1 GFAF CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@@]32[C@H](C)C(=O)O[C@H]12 2356771216 SIELXTGPFIGRLA-SMAXAONOSA-N 387.476 2.607 0 1 GFAF COCCNC(=O)[C@@]1(C)CCN(C(=O)c2sc(-c3ccccc3)nc2C)C1 61898305 KLDDVYYNHQMUJZ-FQEVSTJZSA-N 387.505 2.733 0 3 GFAF COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N3CCCN=C32)cc1 34635821 LSPPQVUEXNMTCS-QHCPKHFHSA-N 398.470 2.828 0 1 GFAF COc1ccc(CCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1 73198020 NUWFPLLUINUUOX-UHFFFAOYSA-N 375.222 2.704 0 1 GFAF COc1c(OCCN2CCOCC2)cc2oc(-c3ccccc3)cc(=O)c2c1O 73158640 VGAVCALAQYUHRJ-UHFFFAOYSA-N 397.427 2.885 0 1 GFAF CC(C)[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c2=O)N1 82206232 VGFOIUQCBVXQRT-INIZCTEOSA-N 397.504 2.577 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3)C[C@@H]21 95893655 RJPJGJCXOLHHCU-XUVXKRRUSA-N 379.460 2.595 0 1 GFAF CCCNC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O 95894864 BRJDXNPJZHGCOW-HKBOAZHASA-N 385.508 2.638 0 1 GFAF CC(C)n1nc(-c2cnc3c(c2)OCCN3)cc1C1CCN(C2COC2)CC1 146491076 RFZULWQQBWTSTI-UHFFFAOYSA-N 383.496 2.909 0 1 GFAF O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)Nc1ccc(-c2ccccc2)cc1 95887737 UTTUQCGEIXLGEI-YUMYIRISSA-N 396.487 2.579 0 1 GFAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCC[C@H]1C1CCCCC1 618014954 PGDIXKOLJRMQDQ-HRDWYUFVSA-N 384.524 2.766 0 1 GFAF C[C@@H]1C[C@@H]1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1 653773175 YGHABFAGOLUFRV-IXOXFDKPSA-N 389.406 2.823 0 1 GFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCCO3 587193906 IEAHWOYZSHERPD-LBPRGKRZSA-N 376.457 2.852 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)N1 587794040 SMXUYAGDBOEOBO-GXDOZVEJSA-N 395.316 2.935 0 1 GFAF CS(=O)(=O)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532813 OPGSHRVVFVWHLZ-OAQYLSRUSA-N 385.485 2.975 0 1 GFAF COC(=O)C1=C2CCCCCN2C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395371 QJMXVGHYAKVHFV-OAQYLSRUSA-N 384.432 2.515 0 1 GFAF COC(=O)C[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587762192 DQLCLFNMFQNHKY-DYZYQPBXSA-N 396.260 2.663 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2c(Cl)ncnc2N2CCCCC2)N1 962912524 PGWMZYPLWQAVHJ-HOCLYGCPSA-N 390.846 2.948 0 1 GFAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1occc1C(=O)O 963132763 CHMDHVHKICCCSN-GHMZBOCLSA-N 394.405 2.770 0 1 GFAF CCC[C@@]1(CC2OCCO2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641750 YKOWCUOKCVYENF-SJCJKPOMSA-N 389.370 2.943 0 1 GFAF Fc1ccc(N2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1 1772601644 OJZVNEVUFLMWTR-UHFFFAOYSA-N 386.490 2.909 0 1 GFAF CCCC[C@@H](COCC(=O)O)NC(=O)C(=O)CCCCc1ccc(OC)cc1 1772589192 SQMBLCLCAUKWIQ-KRWDZBQOSA-N 393.480 2.753 0 1 GFAF CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2C[C@H]1C(=O)O)c1ccccc1 13446598 HGJKEJZBOHKPJH-FQEVSTJZSA-N 390.443 2.999 0 1 GFAF NS(=O)(=O)Oc1ccc2c(c1)[C@H](O)C[C@H](C13CC4CC(CC(C4)C1)C3)O2 13491352 BSAFHRHNJBXDTM-PSMXDOANSA-N 379.478 2.670 0 1 GFAF CCO[C@H]1OC(C(N)=O)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO 13656446 HYKLJHBXUOUBPA-ZQIUZPCESA-N 384.270 2.683 0 3 GFAF CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4cccnc4)cc23)CC[C@]1(C)N 169710826 MZYWNVPKQJNFLZ-UTKZUKDTSA-N 378.480 2.813 0 1 GFAF CCCN(CC1CC1)C(=O)CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 201445340 GMOISJSWQHCKBZ-IBGZPJMESA-N 383.492 2.677 0 3 GFAF COc1cc(/C=C2\C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC 14647034 GAPBUDODJXGASP-IJENKCAZSA-N 384.384 2.937 0 1 GFAF Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)n1 2662706 NUIUTSLPBYRSLL-RNODOKPDSA-N 395.467 2.507 0 3 GFAF COc1ccc(NC(=O)N2CC[C@](C)(O)[C@@H](NC(C)=O)[C@H]2c2ccccc2)cc1 2356288623 ICRNYZZOFNZNML-URVUXULASA-N 397.475 2.930 0 1 GFAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@H](NC2CCCC2)C[C@H]1O 2356288993 NRZATCAWOURNJI-FMWKFLBASA-N 385.483 2.715 0 1 GFAF CC1=C2C[C@H](O)[C@@H]3[C@H](C)C(=CC(=O)OCCN(C)C)CC[C@@H]3[C@]2(C)CC[C@H]1O 2356583800 IACCOBWNMQUOBF-XTNMYNAQSA-N 391.552 2.922 0 1 GFAF COc1ccc(-c2n[nH]nc2/C=C2\SC(=N)N(c3nccs3)C2=O)cc1 40950387 ZCJGJXBBPRJBCD-QDKNBVMZSA-N 384.446 2.992 0 1 GFAF CN1CC[C@]23c4c5ccc(NCc6ccc(O)cc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 84669829 HQYWOJDYXZKIOI-UPQYSNQFSA-N 390.483 2.810 0 1 GFAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCc1ccccc1F 82213004 XAIVQCBWJADDIB-UHFFFAOYSA-N 379.443 2.653 0 1 GFAF CC(=O)NCCn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 82181026 UUSJXWBJYJEDBO-UHFFFAOYSA-N 382.443 2.634 0 1 GFAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN[C@@H](CF)C3)cc2n1 221617602 YZTZMXSXPRJVLX-KRWDZBQOSA-N 396.441 2.883 0 1 GFAF Cn1cc(-c2cc(S(N)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O 146715615 VDNCUTQIFKFSCK-UHFFFAOYSA-N 395.440 2.973 0 1 GFAF Cc1ncccc1N1C[C@@H](C(=O)NCc2ccc(F)cc2Cl)N(C)C1=O 95565867 DNNDMYAIIAOQNB-INIZCTEOSA-N 376.819 2.739 0 1 GFAF CCc1[nH]c2nc(Sc3cncnc3)nc(N3C[C@H]4C(N)[C@H]4C3)c2c1Cl 95586004 OOKWYXHTSPTWDS-XFLKPENQSA-N 387.900 2.508 0 1 GFAF in-vitro COc1cc(CC(=O)c2c(O)cc3c(c2OC)OCO3)cc(OC)c1OC 95918628 CXFDIAPJVDDVDX-UHFFFAOYSA-N 376.361 2.581 0 1 GFAF biogenic,in-vitro CC(C)c1nc(C(=O)N[C@H]2[C@@H]3CN(CC4CCOCC4)C[C@@H]32)c2ccccn12 653780369 IZYUXJNZOBEOMC-DZFIZOCASA-N 382.508 2.544 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cncc(C)c2[nH]1 586945738 KYMDFNHYCUPZSI-CQSZACIVSA-N 386.477 2.699 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(C)on1 587868298 YWIUYCHNDIBVKE-UHFFFAOYSA-N 382.298 2.988 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587616617 LBFCSLOKQDJEHG-OXTHUFEASA-N 384.384 2.692 0 1 GFAF N=c1nc(O)c2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2[nH]1 587024479 ANUIUMXVAKOZHS-XQQFMLRXSA-N 398.492 2.607 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(O)c2cnn(C)c2n1 587863132 DAMCWTZBIBRASY-UHFFFAOYSA-N 390.325 2.949 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@@](CC3OCCO3)(c3ccc(F)cc3)c3cccc1c32 963027658 OULLSBPSCUNENM-PEBXRYMYSA-N 382.435 2.886 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CCC(OCC(C)C)CC3)n2)c1 1772587258 FJPZBIRNNFYCDB-UHFFFAOYSA-N 384.484 2.616 0 1 GFAF O=C1NCN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c1c[nH]c1nccc2-1 1772644972 RFXARLGUMXFLLG-HAQNSBGRSA-N 381.402 2.733 0 1 GFAF CCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 14947684 RNAWARZODNEZLL-SJORKVTESA-N 385.464 2.548 0 1 GFAF O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Cl)cn1 205217070 YUMJYMLVVGYABE-AWEZNQCLSA-N 387.724 2.680 0 1 GFAF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055176 XYEVPHPIMPQCGQ-DOTOQJQBSA-N 394.880 2.618 0 1 GFAF CC[C@H]1C[C@H]2CN3CC[C@@]4(O)C(=Nc5cc(OC)ccc54)[C@](C(=O)OC)(C2)[C@H]13 1911578973 CRDGLAXFUDHWQF-YPENQOSPSA-N 384.476 2.652 0 1 GFAF CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO 95783969 OHNXJPRLMSNGKE-WFXMLNOXSA-N 381.513 2.707 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccc(F)c1 95794048 YXWKKMWYJNDYCQ-LEWJYISDSA-N 397.494 2.960 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](O)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)[C@@]1(C)COC(C)=O 238730949 PVAHTNYAMKYLCM-QDVSCTAJSA-N 392.492 2.676 0 1 GFAF CCOc1ccccc1[C@](N)(c1nc2ccc(C(N)=O)cc2[nH]1)C(F)(F)F 587093618 WELNYGSQAMMAFJ-KRWDZBQOSA-N 378.354 2.825 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N2CCCC2=C1C(=O)OC 587485126 PRZRICIDOWBZDU-NRFANRHFSA-N 385.416 2.502 0 1 GFAF O=C(N[C@H]1C[C@@H](n2cnc3c(NCc4cccnc4)ncnc32)C1)c1ccccc1 1772626850 PUGMEMZUNMZNJM-HDICACEKSA-N 399.458 2.967 0 1 GFAF COc1cc(C(=N)N)ccc1OCCCCOc1ccc(C(=N)N)cc1OC 5999162 AWCKLOPZHLHTAD-UHFFFAOYSA-N 386.452 2.510 0 1 GFAF COc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1 13582636 ILJWGWQUBUXSLL-UHFFFAOYSA-N 376.376 2.710 0 1 GFAF O[C@H]1CCN(CCOc2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 169708938 TVXSEYQIZAVRRR-ORAYPTAESA-N 379.378 2.911 0 1 GFAF Cc1nc([C@H]2C[C@@H]2c2nnc(-c3ccn(C)n3)s2)cc(-n2nc(C)nc2C)n1 205300297 GZOFQHUAWOEFEB-STQMWFEESA-N 393.480 2.506 0 1 GFAF CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O 213523210 QXUQZMDJJGCZDT-UHFFFAOYSA-N 397.460 2.727 0 1 GFAF COCC(=O)N1CCC2(CCCN(C(=O)Nc3ccc(OC)cc3)C2)CC1 3956269 SEFRDWQPJISTDD-UHFFFAOYSA-N 375.469 2.578 0 1 GFAF COCCNc1nc(NC(=O)c2ccc(OC)cc2)nc2c1ncn2C(C)C 28642495 QEOGMZVIFXUITQ-UHFFFAOYSA-N 384.440 2.726 0 1 GFAF CCCC[C@H](O[P@@](=O)(CC[C@H](N)C(=O)O)Oc1ccccc1)C(=O)OC 103233391 HZRQGOGHVLPKBQ-FLDNJWGVSA-N 387.369 2.809 0 1 GFAF CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCCC3)C[C@@H]21 95893321 NUHGALHHGHVKKL-XUVXKRRUSA-N 385.508 2.860 0 1 GFAF O=C1c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2CN1CCO)OCO4 96909331 KVSCTHDULKALJR-UHFFFAOYSA-N 391.379 2.912 0 1 GFAF O=C(CN1CCCC1)Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCCC2 95562844 SPJOFALIUYDWEQ-UHFFFAOYSA-N 383.464 2.752 0 1 GFAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1cnn(C)c1 261091183 DODSQSOSCBLNMX-INIZCTEOSA-N 398.394 2.576 0 1 GFAF COc1nccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 587184952 HWWKPLIRHNAMKS-LLVKDONJSA-N 394.216 2.814 0 1 GFAF N=c1[nH]cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)nc-2[nH]1 587230362 FMNDCHGMJUKQFV-UHFFFAOYSA-N 389.419 2.606 0 1 GFAF O=C(O)c1cc2n(n1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584526 ATEDJJFAEZPLSV-UWJYYQICSA-N 392.367 2.938 0 1 GFAF CCNC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587433681 UJGYBMCRBNSSFR-IVZQSRNASA-N 397.427 2.707 0 1 GFAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(Br)cnc(Cl)c2[nH]1 587256690 NCASJTMTTRNBMV-MRVPVSSYSA-N 389.681 2.975 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587035150 MEHRHFUVITTYIQ-HNNXBMFYSA-N 377.491 2.731 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(CC(=O)NCc1ccccc1OC)[C@@H](C2)C3=O 587433038 OYSTYGXSXWVGIM-KSFYIVLOSA-N 381.428 2.916 0 1 GFAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)CC[C@@H](CC)N2 169719746 FFIXBUDQBZXXIF-OZJRSANCSA-N 385.512 2.886 0 1 GFAF Cn1cc([C@@]2(C)CCCCO2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857563727 FHHDFBLOEQYULL-LJQANCHMSA-N 376.478 2.816 0 1 GFAF Cc1cc2c(s1)c1cnn(CC(=O)NCCc3ccccc3)c(=O)c1n2C 1350597 GDZOZESVMXARHZ-UHFFFAOYSA-N 380.473 2.617 0 3 GFAF COc1c(O)ccc(CCC(=O)C[C@@H](O)CCCO)c1-c1ccc(CN)cc1 2356357094 OUQQFAOHAXMFFG-SFHVURJKSA-N 387.476 2.552 0 1 GFAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4038688 RHXVUHHGYPGFGP-BUKVSMQUSA-N 394.519 2.911 0 1 GFAF CC(C)[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(Cl)cc1 7158618 ZOELWKCNBBHPTL-MRXNPFEDSA-N 397.903 2.622 0 3 GFAF CCCCn1c(=O)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c(O)c2ccccc21 100743232 WGDQFZMBDVNRCW-HZPDHXFCSA-N 383.492 2.862 0 1 GFAF CC[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(Cl)cc2)C1=O 61959666 IMBUNDYSCNDKQC-OAHLLOKOSA-N 387.871 2.704 0 3 GFAF COc1cc(N2C(=O)[C@H](OC)[C@H]2c2ccc3c(c2)OCO3)cc(OC)c1OC 26176961 ASJCRGVHHQDGLN-IEBWSBKVSA-N 387.388 2.544 0 1 GFAF O=C(O)c1ccccc1OC(=O)[C@H]1CCCN1C(=O)CC[C@@H](O)c1ccccc1 29337959 GVVIUPKACUDUER-QZTJIDSGSA-N 397.427 2.795 0 1 GFAF COc1cccc2nc(C[C@H]3CN(C(=O)NC(C)C)CC[C@@H]3CC(=O)O)[nH]c12 2356617725 OIBGKKNBXJUHDF-KGLIPLIRSA-N 388.468 2.645 0 1 GFAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NCCO)[C@@H]3CC[C@@H]12 26390629 RYYSYRHPOPBMEU-QHPZLZSXSA-N 376.541 2.575 0 1 GFAF c1ccc(OCc2cn([C@@H]3CO[C@H]4[C@H]3OC[C@H]4NCC3CCCCC3)nn2)cc1 2356828205 ITOWZWWTAQIUIR-YSFYHYPLSA-N 398.507 2.734 0 1 GFAF CN(C)c1ccccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 68247218 SQDAALIAXGSERX-UHFFFAOYSA-N 375.831 2.921 0 1 GFAF CC(=O)OC[C@]12[C@@H](C(=O)CC[C@@]13CO3)[C@@](C)(CCc1ccoc1)[C@@H](C)C[C@H]2O 14969781 XFXPUVAJQDQQQD-HDZKCZOLSA-N 390.476 2.917 0 1 GFAF biogenic C[C@H](CNC(=O)[C@H]1CNCCN1C(=O)CCCc1ccccc1)c1ccccc1 45322670 KASNWXNSVQPZCN-DENIHFKCSA-N 393.531 2.730 0 1 GFAF CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@@H](N)C3)n2)cn1 224835795 KSUJTDNWWVQOFC-QGZVFWFLSA-N 388.479 2.626 0 1 GFAF CC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)C1CC1 95895045 JPCTYBULYRPUFB-FDFHNCONSA-N 378.472 2.555 0 1 GFAF O=C([C@H]1CC[C@H](Nc2nccc(-n3nnc4ccccc43)n2)CC1)N1CCCC1 299845594 KTJOPUTZKZLREI-WKILWMFISA-N 391.479 2.804 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]21 587591118 BHCLICLSLFASJT-CPGPQNBOSA-N 395.411 2.565 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@@H]3CCS(=O)(=O)C3)c1)CC2=O 587489500 CQULMIRQTFEXLL-FZKQIMNGSA-N 390.461 2.607 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cncc(Br)c2[nH]1 587230581 IKXCSXWDSHSFNL-GHMZBOCLSA-N 381.274 2.757 0 1 GFAF CC1=C[C@]2(CC(=O)N1Cc1ccco1)NC[C@@H]1CC(=O)N(C)c3cccc2c31 963038709 XYXOTHAAQZLCKM-OYHNWAKOSA-N 377.444 2.865 0 1 GFAF CCN(CCn1cccn1)C(=O)CCc1nnc(CCCc2ccccc2)o1 11816354 LXMWFMMUXZVOIA-UHFFFAOYSA-N 381.480 2.923 0 3 GFAF COC(=O)/C=C\c1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 15152995 DPDJZJNYBSGDHT-CXANYAOZSA-N 386.400 2.805 0 1 GFAF endogenous,in-man CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2ccccn2)CC1 169302673 KNKZYCJBFKLOOG-IBGZPJMESA-N 377.496 2.735 0 3 GFAF O=C(CCn1cncn1)N1CCC(C2=NN=C(c3ccccc3Cl)C2)CC1 1857543933 PUFOTTZYVOYMGH-UHFFFAOYSA-N 384.871 2.809 0 1 GFAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@H]1c1cccc(Cl)c1 1857585581 BXUAUPLCCNHISG-KRWDZBQOSA-N 393.852 2.620 0 1 GFAF CC(C)Cc1ccc([C@H](C)C(=O)OCCOCCOCCOCCO)cc1 27658079 PAOXYFXYDDJJBB-SFHVURJKSA-N 382.497 2.574 0 1 GFAF O=C1c2ccccc2-c2onc3c2[C@H]1[C@@H](NC1CCCCC1)C=C3NCCO 101414606 WZYDCGZTCKJLKJ-FUHWJXTLSA-N 379.460 2.849 0 1 GFAF Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3C[C@@H](C)O)nc2n1 113420725 ZWZHAWCKFMTSMU-MRXNPFEDSA-N 376.464 2.771 0 1 GFAF CC(=O)O[C@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 29567157 XRTNIJWWOGBHSQ-LJQANCHMSA-N 390.434 2.961 0 1 GFAF CC1(C)Oc2cc(F)ccc2[C@@H]2C1=CCn1c(=O)n(-c3ccccc3)c(=O)n12 72109083 OUJCPQQANJSWNM-GOSISDBHSA-N 379.391 2.640 0 1 GFAF CCC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1 40567610 WNDLFGIZONICLJ-HNNXBMFYSA-N 384.411 2.592 0 1 GFAF CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OC[C@@H]1CCCN1C 82082660 UNWZKGFGSVPJOQ-BBRMVZONSA-N 391.493 2.795 0 1 GFAF Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)o1 82225303 GONAPPRDEDUMSL-AWEZNQCLSA-N 381.411 2.948 0 1 GFAF Cc1cn2ccc(N3CCC(OC(=O)N4CCN(C(C)C)CC4)CC3)cc2n1 223513995 XAQBWJISZRMNHF-UHFFFAOYSA-N 385.512 2.774 0 1 GFAF Cc1[nH]c2c(c1C(=O)NCCN(C)C)CCC/C2=C1/C(=O)Nc2ccc(F)cc21 96284774 CARLZFLTQJQGIP-CYVLTUHYSA-N 396.466 2.953 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2 238784696 KZMMOGWSMBTTFY-PTERDXODSA-N 392.448 2.546 0 1 GFAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccc2ccccc2c1)C(=O)O 95562591 LJXMUWHMGUIHQQ-SFHVURJKSA-N 384.432 2.992 0 1 GFAF Cc1cn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)nn1 143101363 QHHUEFOVSJJGOE-UHFFFAOYSA-N 386.463 2.734 0 1 GFAF O=C(c1ccc(Cl)c(F)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1 95565458 JYVDDGMTFMGMOW-UHFFFAOYSA-N 393.209 2.837 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)C2CCCC2)CC1 95666704 KQPALVUJXGNASF-IBGZPJMESA-N 397.519 2.864 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 299882204 PIFWXBWASJVRLX-ANTGDGSKSA-N 397.475 2.857 0 1 GFAF COC(=O)CC(=O)N[C@@]1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 653668908 CPAGCMZOWOMHJA-FQEVSTJZSA-N 387.819 2.608 0 1 GFAF Cc1nc2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2cc1Br 586931689 JGKWFBXXDYRCJE-UHFFFAOYSA-N 385.243 2.539 0 1 GFAF CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC1 586955106 UEYJTDFCQLZNIY-UHFFFAOYSA-N 396.822 2.879 0 1 GFAF COc1cc2nc(-c3nccnc3I)[nH]c2cc1OC 587185904 AWSJYVXYBRKTPQ-UHFFFAOYSA-N 382.161 2.642 0 1 GFAF CCC[C@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169296583 JPAYKFOGOBDDJL-IDVKNYFZSA-N 396.443 2.750 0 3 GFAF O=C1C[C@@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccccc3)CC2)N1 1857568566 NHQVPJBEDLXMDB-KRWDZBQOSA-N 380.370 2.886 0 1 GFAF Cn1cc(-c2ccc(C(F)(F)F)cc2)c2cnc(C(=O)NS(C)(=O)=O)cc21 1857604180 PNAJSKAAPLQLIH-UHFFFAOYSA-N 397.378 2.949 0 1 GFAF O=C(N[C@H](CO)[C@H](O)c1ccccc1)[C@H]1C[C@@H](CCC2CCCCC2)CCN1 218773208 PENBWBSQIIAKHU-BDKRGJGYSA-N 388.552 2.926 0 1 GFAF O=C(O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356347461 RKFPDYPKQWBDRM-LSDHHAIUSA-N 399.495 2.956 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC2CCCCC2)n1 2356497302 JXBFJFLNIDUJBR-MTQWCTHYSA-N 375.557 2.844 0 1 GFAF CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]cn1 29567707 YUQHSJYXGSISEE-IBGZPJMESA-N 397.479 2.543 0 1 GFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4Br)C[C@H]32)n1 116828610 CTTAQNIKFVJOHR-XJKSGUPXSA-N 387.281 2.817 0 1 GFAF CN(C)CCc1c[nH]c2ccc(O)c(N3c4ccccc4[C@@]4(O)CCN(C)[C@H]34)c12 2356648662 LJSAOKIBMQABTP-PKTZIBPZSA-N 392.503 2.979 0 1 GFAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccsc1 2356737882 YGYJZDJSMUWKQG-NBMJBFSESA-N 392.569 2.691 0 1 GFAF NS(=O)(=O)c1ccc(-n2cc(C(=O)O)c(-c3ccc(Cl)cc3)n2)cc1 71318958 AMGLJTTXODUYEM-UHFFFAOYSA-N 377.809 2.538 0 1 GFAF Cn1c(=O)c(Cc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21 71296784 CXVKBXOZBZAXOY-UHFFFAOYSA-N 386.402 2.788 0 1 GFAF Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCN(C)CC4)c3)cc12 45338243 QNTFZQLJODAFJB-UHFFFAOYSA-N 391.471 2.803 0 1 GFAF Cc1cc(-c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccn1 96168848 OFBPPCCRWWNETG-UHFFFAOYSA-N 386.415 2.627 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(=N)[nH]cc32)N1 587748991 ZHUQVZFOQKRDOV-VVVCHXIZSA-N 377.261 2.905 0 1 GFAF COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCOCC1 587401085 SKYDVPWSMBMNSE-FQEVSTJZSA-N 396.443 2.907 0 1 GFAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc3c(c2[nH]1)CCCC3 587226556 BHSRNMDYXGLAMG-UHFFFAOYSA-N 392.459 2.984 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@](Cn1cncn1)(c1ccc(Cl)cc1)NCC2 962926451 OSQRBCLWOKKSQB-OAQYLSRUSA-N 395.894 2.723 0 1 GFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 1772636268 LSNKGZBUULWFKF-CYBMUJFWSA-N 392.198 2.831 0 1 GFAF Cc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1 5067361 HDIFTRGWNXCHRD-UHFFFAOYSA-N 397.500 2.523 0 1 GFAF Cc1c[nH]c(CN(C)Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)n1 11663255 HESPDLDXVFOGSY-HXUWFJFHSA-N 386.540 2.966 0 1 GFAF CCOC(=O)[C@@]1(CC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169363823 YIKURKMRWAQOKN-QLDGJZPUSA-N 396.443 2.750 0 1 GFAF O=c1[nH]c(Cc2ccccc2-c2cccnn2)nc2c1cnn2C1CCOCC1 169699897 WJAWLLISFGRPAN-UHFFFAOYSA-N 388.431 2.519 0 1 GFAF CNC[C@H]1Cc2c(C3=C(Nc4ccccc4)C(=O)NC3=O)c3ccccc3n2C1 103201709 TYJWFYQRCLDXMR-CQSZACIVSA-N 386.455 2.513 0 1 GFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2ccccc2)[C@@H]1C5 101038336 JIZIIPYPMGBADK-ZNEWLNCYSA-N 391.467 2.970 0 1 GFAF O=c1[nH]c(-c2ccc(O)cc2O)nc2ccc(I)cc12 102991621 YLINVTWHWIOHEH-UHFFFAOYSA-N 380.141 2.606 0 1 GFAF C[C@H]1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 26977029 YQRUTUAWBZXTFD-VIFPVBQESA-N 390.241 2.959 0 1 GFAF NCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C1=O 1911574049 IBEPCZMPULYCBG-QUCCMNQESA-N 392.434 2.934 0 1 GFAF Cc1ccccc1[C@@H]1CC(=O)N(CCN2CCN(c3ccccc3)CC2)C1=O 40423424 FICDGEILCFQCQD-NRFANRHFSA-N 377.488 2.660 0 1 GFAF Cc1ccc(C)c(-n2[nH]c(C(=O)N[C@H](CC(=O)O)c3ccc(F)cc3)cc2=O)c1 95556894 YBVHBZGXPINVMH-MRXNPFEDSA-N 397.406 2.867 0 1 GFAF COC(=O)C[C@@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582610 QEMCPYHCPVKTOW-RXVVDRJESA-N 394.383 2.546 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cc(C)on1)CC2=O 587480100 CCBPCFZUCCZGSO-HXUWFJFHSA-N 387.388 2.634 0 1 GFAF Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(I)cc1 587368835 AGRHYRPSTALCLC-UHFFFAOYSA-N 393.184 2.940 0 1 GFAF COc1ccc2c(c1OC)[C@H](O)O[C@@H]1c3cc4c(cc3CCN(C)[C@H]21)OCO4 14887251 BTORBKYDJDEQNX-SFHLNBCPSA-N 385.416 2.724 0 1 GFAF biogenic CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1 169689795 KIMNGRGQSXOADQ-WOJBJXKFSA-N 393.487 2.683 0 1 GFAF COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCO)c(OC)c1 2484753 ZLLSFGDQXHGBPT-UHFFFAOYSA-N 386.379 2.887 0 1 GFAF CC(C)(C)n1nnnc1CN1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2 4410579 XQIQQLOYGWJBCC-ALOPSCKCSA-N 383.500 2.745 0 1 GFAF N=C(NC[C@@H](O)CO)c1c(O)nsc1Nc1ccc(Nc2ccccc2)cc1 101101170 UTVKTGBQMLSAEF-OAHLLOKOSA-N 399.476 2.604 0 1 GFAF O=C(C1CCOCC1)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55098957 DSXIQPZJUZYTMW-FQEVSTJZSA-N 391.943 2.880 0 3 GFAF O[C@@H]1[C@H](NCc2ccccc2F)[C@H]2CO[C@@H](O2)[C@H]1n1cc(-c2ccccc2)cn1 2356298180 ZRFIJLSFTZPRMZ-BDHVOXNPSA-N 395.434 2.505 0 1 GFAF Cc1ccc2nc(C[C@@H]3CN(C(=O)C4CCOCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302718 RNPJDDSBXVCBGB-IAGOWNOFSA-N 399.491 2.780 0 1 GFAF COc1cc(-n2ccc(COc3ccccn3)cc2=O)ccc1OCC(C)(C)O 116938642 ZICDKHDGRXIGBS-UHFFFAOYSA-N 396.443 2.970 0 1 GFAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(C2CCCCC2)CC1 20215829 ZIXWDMOOPZXCBT-UHFFFAOYSA-N 394.475 2.620 0 1 GFAF COc1cc(C[C@H]2COC(=O)C2=Cc2cc(O)c(OC)c(OC)c2)ccc1O 2356490958 AQRZXICAIIHSSY-AWEZNQCLSA-N 386.400 2.923 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)c4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 95871294 BEFCMBFVMVBGFU-WBIRTCKXSA-N 394.446 2.670 0 1 GFAF CCN1C(=O)N(c2ccc(OC)cc2OC)C(=O)[C@]12OC(=O)c1ccccc12 653851568 RKVMLKXUAPVBOJ-FQEVSTJZSA-N 382.372 2.516 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC(=O)N(C)C)CC2)N1 587767742 KLGAUYOXGPKNTM-LBPRGKRZSA-N 398.320 2.502 0 1 GFAF CC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1 586946786 PQCJSNGMUJLZKP-INIZCTEOSA-N 399.472 2.890 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(CCCC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587434745 AJMGJAMKZZIEGP-OYHNWAKOSA-N 393.395 2.550 0 1 GFAF O=[S@](CCCc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1 586960835 PXNWBEHNPDFSQO-JOCHJYFZSA-N 381.255 2.561 0 1 GFAF CCOC(=O)[C@]1([C@@H]2CCCC2=O)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962629389 HOWJOQADLZWFFT-KUUHDYPXSA-N 375.465 2.708 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(NCc3cn4cc(C)ccc4n3)n2)c1 1772614734 LRISQPXASCLJSW-UHFFFAOYSA-N 388.435 2.543 0 1 GFAF CC(C)(C)OC(=O)NCCC(=O)N1CCN(CCCc2ccccc2)CC1 13782178 KAZPYGCUIYEGLN-UHFFFAOYSA-N 375.513 2.678 0 1 GFAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CNOCCCN)CC[C@]12O 13809012 AOJWIMOZVSIYID-GTOCWNLFSA-N 394.600 2.991 0 1 GFAF CCCN(Cc1c[n+]([O-])c2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1 169334033 CJYLPRLTFDJBHQ-UHFFFAOYSA-N 394.266 2.546 0 1 GFAF NCc1cc(Oc2cccc3c2CCC(=O)N3CC(=O)O)nc(C(F)(F)F)c1 1857551672 OSMKMFKICCUISZ-UHFFFAOYSA-N 395.337 2.715 0 1 GFAF O=S(=O)(/C=C/c1ccccn1)c1ccccc1OCCCN1CCOCC1 1857559450 MSPUVYALGJVTNM-RQZCQDPDSA-N 388.489 2.627 0 1 GFAF CCCNC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)nc2ccccn12 1857586397 XBXAHHUJBHITTB-UHFFFAOYSA-N 382.420 2.744 0 1 GFAF CN(C)c1ccc(-c2cc3nccnc3c(NC[C@@H]3CNCC(F)(F)C3)n2)cn1 204340976 MDZNNHJKFFMBHO-ZDUSSCGKSA-N 399.449 2.810 0 1 GFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCC(C)(C)CO 771414 UOBMMUOQEFNPBT-PKOBYXMFSA-N 386.448 2.905 0 1 GFAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 4875601 ICWYVWJVCSRLQT-QKLQHJQFSA-N 387.524 2.902 0 1 GFAF COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2cccc(OC)c2)Oc2ccccc21 2356301555 BIPVHPCWXACWOM-AZUAARDMSA-N 382.460 2.710 0 1 GFAF COc1ccc(OC(C)(C)C(=O)NC2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)cc1 28882093 MNVKIDPRYUGTTG-ZLAJUMPISA-N 386.492 2.649 0 1 GFAF in-vitro O=C(CCNC(=O)c1ccccc1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 28391798 QVODQTBNWDTWIK-LJQANCHMSA-N 385.895 2.851 0 1 GFAF O=C1C(=O)N2CCc3ccccc3[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 73219108 MDWPUZITRBRKBG-MRXNPFEDSA-N 388.345 2.814 0 1 GFAF CCc1oc(=O)c(Cc2c(OC(C)=O)c(C)c(C)oc2=O)c(OC(C)=O)c1C 15268751 MOQDKFWAXSTUFU-UHFFFAOYSA-N 390.388 2.522 0 1 GFAF biogenic CCO[C@@H](Cc1ccc(OCCN2CC=C(c3ncccn3)CC2)cc1)C(=O)O 40422120 USOMNPQLEODMFJ-FQEVSTJZSA-N 397.475 2.677 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 40632032 IZVJUXYHPCHSDO-UHFFFAOYSA-N 388.489 2.939 0 1 GFAF Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2F)o1 82175706 LXYXKQXJCYUCTK-CYBMUJFWSA-N 381.411 2.948 0 1 GFAF COCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 82209687 SLLYSKSZBDZPJS-MRXNPFEDSA-N 386.496 2.519 0 1 GFAF C=C(c1ccccc1OC[C@@H](O)CNC(C)C)n1cnc(C(=O)OCC)c1C 40632317 AMRDNKZCKDKZFE-KRWDZBQOSA-N 387.480 2.625 0 1 GFAF CCN(CC)CCCNc1nc(NC[C@H](C)O)c2cc(OC)c(OC)cc2n1 82129257 WPAOVIIADKBHIF-AWEZNQCLSA-N 391.516 2.584 0 1 GFAF CC[C@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc(C)c1 82146363 VGKHETIUGUCAEJ-RDJZCZTQSA-N 395.507 2.682 0 1 GFAF CC(C)C(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253639086 WXJKTTVGVITSOL-LTSYSURUSA-N 395.499 2.862 0 1 GFAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccc(C)c(F)c1)C2 261178902 VORGPFXKYVZSDW-BJWYYQGGSA-N 377.460 2.605 0 1 GFAF N[C@H](Cc1ccc(I)cc1)c1nc2c(Cl)ncnc2[nH]1 587183825 IYVCXQKJDKPZAV-SECBINFHSA-N 399.623 2.853 0 1 GFAF COC(=O)C(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595742 SAJRQHSMLAOYKA-UYTHQXMGSA-N 382.368 2.635 0 1 GFAF Cc1cc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c(C)n1 586947324 WCCDBDLTIHSIHM-HNNXBMFYSA-N 386.477 2.699 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(=O)O)(c2cnn(C)c2)N1 587764757 QRAVHOBDPJUNAD-PNGOAEJUSA-N 394.244 2.740 0 1 GFAF COC(=O)CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583814 VDOYZSQTVKXNEA-IBGZPJMESA-N 397.427 2.752 0 1 GFAF CC1=C[C@]2(c3c(Cl)ccc4c3CCN2[C@H]4C(=O)O)[C@@H](c2cc[nH]n2)C(=O)O1 962577177 VTDJOROMTSQKEW-FCEWJHQRSA-N 385.807 2.500 0 1 GFAF Cc1[nH]c(C[C@H]2C(=O)Nc3ccc(Cl)cc32)c(C)c1C(=O)NCCN(C)C 1772586323 SGRZLWHBSZPPHH-OAHLLOKOSA-N 388.899 2.855 0 1 GFAF N[C@H](CCc1ccccc1)[P@](=O)(O)C[C@@H](Cc1ccc(O)cc1)C(=O)O 13522036 STVSJGZHUJJREA-AEFFLSMTSA-N 377.377 2.824 0 1 GFAF CCN1C(NCCc2cccnc2)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C 15937385 HQMPZXHJADPLRQ-AHRSYUTCSA-N 380.492 2.824 0 3 GFAF NC1=N[C@@H](CCc2ccc(Nc3ncc(OCC(F)(F)F)cn3)cc2)CO1 169701208 YOORQVZJJKMBFS-ZDUSSCGKSA-N 381.358 2.807 0 1 GFAF NCc1cc(Oc2cccc(C(=O)N3CC[C@@H](CO)C3)c2)nc(C(F)(F)F)c1 1857577413 JOSCNYCOYXTLTN-GFCCVEGCSA-N 395.381 2.806 0 1 GFAF COc1ccc(OC)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c1 1857586549 GSIJXUXLBIMFDI-UHFFFAOYSA-N 382.526 2.589 0 1 GFAF O=C(NC1CCCC1)c1ccc(CNc2c(N3CCCCC3)c(=O)c2=O)cc1 4955663 DXYHCMVOODPJSG-UHFFFAOYSA-N 381.476 2.557 0 1 GFAF COC[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](OC)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356396267 GIRBZGMOKYPJOD-BKHNOZMVSA-N 394.552 2.529 0 1 GFAF O=S1(=O)N=C(Nc2ccccc2Br)Nc2c(O)ccc(F)c21 28822796 DEZUWVMYFUOVEE-UHFFFAOYSA-N 386.202 2.876 0 1 GFAF COCCN[C]1C=C(c2noc([C@@H]3CCCN3Cc3ccccc3)n2)C=CN1 2356851557 YPSWWXLJUJCCEM-SFHVURJKSA-N 380.472 2.632 0 1 GFAF CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1)C(=O)C1CCC1 95895771 KEXUMZGYEIHSGS-BHIFYINESA-N 392.499 2.914 0 1 GFAF CC[C@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1F 299884722 UISWZXHDBIIOFJ-UONOGXRCSA-N 399.470 2.513 0 1 GFAF COC(=O)/C(=C/N(C)C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758885 ZAHREFYDDWHPCX-QGJWVSIGSA-N 385.277 2.956 0 1 GFAF C[C@@]1(C2CCS(=O)(=O)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610288 BJLZRFYKZQPXBO-PXNSSMCTSA-N 388.441 2.937 0 1 GFAF COc1cc(OC)c2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c1 587202197 GMMBCLNWPWOCMN-HNNXBMFYSA-N 399.403 2.502 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1)CC2=O 587482711 VDHTWOJMPNFZIK-MEELVIRWSA-N 390.432 2.811 0 1 GFAF COC(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2n1 586983716 HSQHWMFKGKYVCY-LLVKDONJSA-N 375.226 2.750 0 1 GFAF CS(=O)(=O)c1cccc(-c2nc3cc(I)cnc3[nH]2)c1 586925746 IZUZFJDGHLAQMF-UHFFFAOYSA-N 399.213 2.633 0 1 GFAF CCn1cc(Br)c(Cc2nc3nc(Br)c[nH]c-3n2)n1 587000906 OEZPMSKDAPQAHY-UHFFFAOYSA-N 386.051 2.637 0 1 GFAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(F)c(F)c(F)c2[nH]1 587227327 KPVMIROFEMBMTO-UHFFFAOYSA-N 392.337 2.523 0 1 GFAF COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CCSC(N)=N3)c2)cn1 139170038 XVSCHNRASRAPMA-KRWDZBQOSA-N 375.429 2.543 0 1 GFAF O=C(CC(F)(F)F)NC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772635450 UJMJZXSYNTYGBE-XYPYZODXSA-N 380.374 2.948 0 1 GFAF COc1ccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)cc1 150251095 IGDJORLIAKMRJS-HXUWFJFHSA-N 378.432 2.999 0 1 GFAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCCC(=O)O)C[C@H]2[C@H](O)/C=C\C(=O)O1 169345719 HXHHXTKXCWAIQQ-HOWIRWCWSA-N 394.464 2.768 0 1 GFAF C[C@H]1CN(Cc2ccccc2)C[C@@H]1c1nc(=O)c2cnc(-c3cccnc3)n2[nH]1 205433846 QLHVOVBIRWGIOW-YJBOKZPZSA-N 386.459 2.715 0 1 GFAF O=C(CN1CCOCC1)Nc1ccc(Nc2cc(=O)oc3ccccc23)cc1 1857539348 HXLFQYXBBZAZFR-UHFFFAOYSA-N 379.416 2.807 0 1 GFAF CC(=O)N1CCC(N2C[C@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)CC1 2356342916 FYLVHTLTKLCDMQ-PXNSSMCTSA-N 388.487 2.730 0 1 GFAF CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 2487105 IVSRVEFQRLRXTB-INIZCTEOSA-N 377.485 2.669 0 1 GFAF CCOC(=O)[C@H](CCc1ccccc1)S[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O 28756425 JFGSPCGBBXYKKA-OIISXLGYSA-N 393.505 2.748 0 1 GFAF CNC(=O)c1cccc(Nc2ccnc(N3CC(Oc4ccc(F)cc4)C3)n2)c1 118578645 FYNANCZLBFMMEX-UHFFFAOYSA-N 393.422 2.987 0 1 GFAF CC(C)CC[C@]1(O)c2cc3c(O)cccc3c(O)c2C(=O)[C@H](C)[C@]1(O)C(=O)O 2356789164 CZCMNEIPHMQXSR-MWECQKEOSA-N 388.416 2.523 0 1 GFAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 31357243 CDMVQQAHEQVSMF-ARQOOKJBSA-N 390.520 2.577 0 1 GFAF CN(Cc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)C[C@H]1CCCN1C 139546796 QEASPZMNDHXKFK-GOSISDBHSA-N 398.526 2.905 0 1 GFAF CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21 82185836 RQISHNMRZKRMRQ-UHFFFAOYSA-N 378.480 2.570 0 1 GFAF C#CCOc1cnc(C(=O)Nc2cccc([C@]3(C)C=CSC(N)=N3)c2)cn1 147081381 NHQLXBRSWMNBEX-IBGZPJMESA-N 379.445 2.531 0 1 GFAF CC1(C)Oc2ccc(-c3cccc4[nH]ncc34)cc2[C@@]2(COC(N)=N2)C12COC2 149217020 DESFPGMIDIOQPB-QFIPXVFZSA-N 390.443 2.958 0 1 GFAF O=S(=O)(NC[C@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)c1ccccc1 95895567 YFBQRLSNPCBTOS-FSSWDIPSSA-N 398.528 2.649 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)c3ccccn3)N(C(=O)CC)[C@H]2CO)cc1 95895588 ZTEWFAWSZJMPKN-WLGXWFGXSA-N 393.487 2.610 0 1 GFAF Fc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 95603811 BXAAFXBATHNFJC-UHFFFAOYSA-N 380.349 2.604 0 1 GFAF C[C@@H]1C[C@H]1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1 653773177 YGHABFAGOLUFRV-LPTSXCQYSA-N 389.406 2.823 0 1 GFAF CCOC(=O)[C@]1(c2c(C)nc3ccccn23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434917 BVCGLYGFOLLGJU-QRQCRPRQSA-N 392.411 2.857 0 1 GFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(F)cnc(Br)c2[nH]1 587224393 IJAYKDFWAJTAFC-VIFPVBQESA-N 393.216 2.943 0 1 GFAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)n1 587587579 NGYHTFHRIAUGRY-YJBOKZPZSA-N 380.356 2.902 0 1 GFAF COc1ccc2c(c1)[C@](CC(=O)c1ccnn1C)(c1ccnn1C)N[C@@H]1CC[C@@H]21 962998796 WAXAFBKDPYBGRT-AQOAWAETSA-N 391.475 2.528 0 1 GFAF Cc1ccnc2c1CCN[C@@]21c2ccccc2NS(=O)(=O)c2ccccc21 963072473 RYQIVYFKPLAFGQ-OAQYLSRUSA-N 377.469 2.942 0 1 GFAF CCc1nc(N)cc(C)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(C)O2 1772644603 NHVZWIMGOAQLPT-UHFFFAOYSA-N 396.491 2.842 0 1 GFAF NCCOCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1 1772583890 RXYWXMDDVUSFNI-UHFFFAOYSA-N 391.431 2.542 0 1 GFAF CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CCc2ccc(=O)[nH]n2)C1 12597088 QRVUUUGJVWEBIU-SFHVURJKSA-N 391.475 2.718 0 3 GFAF CC[C@H](C)[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O 15955605 QLTMYRPBRYJFFD-HXPMCKFVSA-N 383.400 2.941 0 1 GFAF biogenic O=C(CN1CCOCC1)Nc1ccc(Nc2cc(=O)oc3ccccc23)cc1F 1857539810 DIDXXGGBWBVFFU-UHFFFAOYSA-N 397.406 2.946 0 1 GFAF COc1ccc(CN=c2[nH]c(N3CCC[C@H]3CO)nc3ccccc23)cc1OC 1857540283 NPWQBDONVIJTSE-INIZCTEOSA-N 394.475 2.642 0 1 GFAF O=C1Nc2cc(F)cc(F)c2C12CCN(c1nc(O)c3c(n1)CCCC3)CC2 1857585073 YVWYZVHKYSEWDY-UHFFFAOYSA-N 386.402 2.830 0 1 GFAF CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 101000139 NGDXDQSSXJGFDM-OYWYANMWSA-N 383.488 2.829 0 1 GFAF OCCOCn1cnc2c(O)n3cc(-c4ccc5ccccc5c4)nc3nc21 27425511 XHLXJLQPPFMOEB-UHFFFAOYSA-N 375.388 2.571 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)C[C@]23CC[C@@H]2C[C@](C)([C@H](O)CO)C[C@H](O)[C@]2(C)[C@H]13 2356638986 ZSNIMPKKVQQYAC-ITTCTNIYSA-N 380.525 2.655 0 1 GFAF CC(C)(C)c1ccc([S@@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1 73163158 AFILGFZWTMPJFV-HSZRJFAPSA-N 398.531 2.554 0 1 GFAF CCCC[C@]1(CO)C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H](O5)[C@@H]1O 40639611 FUENFDZJVVFQJQ-NTWYEOATSA-N 387.520 2.504 0 1 GFAF CCn1nc2c(c1C)OC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)CC2=O 73311334 PIJARKRHEJFSCX-UHFFFAOYSA-N 393.447 2.728 0 1 GFAF Cc1ccc(-c2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)s1 144854467 MLXOKUOCKKDEET-MLPAPPSSSA-N 380.433 2.521 0 1 GFAF Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)N(C)C2=O)nn1 95565878 AOTMXWYPHYGLCO-AWEZNQCLSA-N 394.262 2.649 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cnc(NC4CCC4)nc3)C2)cc1 142310459 DGIITDCLEWIALQ-AWEZNQCLSA-N 381.480 2.906 0 1 GFAF COc1cc(-c2cc3c(C(C)=O)c(C)oc(=O)c3c(=O)o2)cc(OC)c1OC 96939906 PWCGCHDQMWGBQX-UHFFFAOYSA-N 386.356 2.950 0 1 GFAF C[C@@H](CN1CCN(c2cccc(Cl)c2)[C@H](C)C1)Cn1nc2ccccn2c1=O 253636458 LOEADZDEGAOQMK-DLBZAZTESA-N 399.926 2.996 0 1 GFAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 257387723 BMPRGPGLZWJNOP-IBKLUPTASA-N 378.465 2.897 0 1 GFAF endogenous,in-man Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586942094 ZYTNMDUABXVANO-SREVYHEPSA-N 389.408 2.799 0 1 GFAF Cc1c(Br)ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 586928449 BTCDFROYJPITHH-UHFFFAOYSA-N 395.282 2.850 0 1 GFAF CC(C)(C)[C@H]1c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963700795 GBRXTEVHIYLMQL-SLFFLAALSA-N 396.487 2.887 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2ccc(C)o2)NCCc2cnc3c(OC)cccc3c21 963057146 LQOMJXASOCLREQ-QFIPXVFZSA-N 394.427 2.666 0 1 GFAF Cc1c(F)ccc2c1[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)NCC2 962296710 HBBJXQLNSKLTCK-YWZLYKJASA-N 378.444 2.959 0 1 GFAF Cc1c(O)ccc2c1[C@@H](c1cc(-c3ccc4c(c3)OCO4)no1)N[C@H](C(=O)O)C2 963528399 SGRARNSSBOYOGT-VBKZILBWSA-N 394.383 2.773 0 1 GFAF Cc1nc(NCCCC(=O)O)sc1[C@]1(C)NCCc2c(C(=O)O)cccc21 963124007 PEHDKUACMLQCNV-LJQANCHMSA-N 389.477 2.836 0 1 GFAF O=C1COc2ccc([C@]3(C(=O)O)c4ccc(F)cc4C[C@H]4CCCN43)cc2N1 963113443 TYBYBJKRWPFESR-QVKFZJNVSA-N 382.391 2.505 0 1 GFAF CCCCCC(=O)Nc1ccc2c(c1)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C 13493067 VQHYLMMCTRQCIX-PXNSSMCTSA-N 375.513 2.699 0 1 GFAF N=C(N)c1ccc(CNC(=O)[C@H]2CCCC=C2C(=O)NC2CCCCC2)cc1 13493959 UORPAZIWMLBTTP-SFHVURJKSA-N 382.508 2.762 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C(=O)O)cc3[C@@H]2C(=O)O)ccc1O 15153037 JTHPLBUVRLOJBB-DXNDIVFVSA-N 386.356 2.809 0 1 GFAF endogenous,in-man CN(CCCn1c(O)c2n(c1=O)Cc1ccccc1C2)CCc1ccccc1 169718929 HXGWZLJXYOVSBV-UHFFFAOYSA-N 377.488 2.873 0 1 GFAF O=C1C(=O)N(CCN2C(=O)C(=O)c3cc(Cl)ccc32)c2ccc(Cl)cc21 1857769526 AITGPXGBXXGAFL-UHFFFAOYSA-N 389.194 2.752 0 1 GFAF c1cnc2c(c1)nc(N1CCN(Cc3ccc4c(c3)OCO4)CC1)c1cccn12 1540240 AZJGEHAZLNOBGW-UHFFFAOYSA-N 387.443 2.933 0 1 GFAF O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNC1CCOCC1 2356408991 VBTFHSQADAKFMH-SFHLNBCPSA-N 390.455 2.700 0 1 GFAF COc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(C[C@H]3CCCO3)c2n1 4239030 IUVSBDNOQQVIJH-CYBMUJFWSA-N 391.431 2.533 0 1 GFAF Cc1ccccc1NC(=O)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 6877496 DRHIBYGZFXOUCD-HXUWFJFHSA-N 391.471 2.971 0 3 GFAF O=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C(F)F 28821033 VNZSHBXUUNJPLF-UHFFFAOYSA-N 387.390 2.764 0 1 GFAF Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)CC1CCCCC1 61904105 WWYUURDFODCALO-HXUWFJFHSA-N 392.521 2.761 0 3 GFAF CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(CC)[C@H]1c1ccccc1 61958792 FLIAEUBYDPEBFK-SFHVURJKSA-N 390.461 2.850 0 3 GFAF C[C@@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356583049 HKRMRITZYIPSSH-ZOGPWEQVSA-N 378.509 2.877 0 1 GFAF O=S(=O)(O)[C@@H](CC=C[C@H](O)c1ccc(O)cc1)CCc1ccc(O)cc1 2356821573 GCOXCNWFFQOSSA-OALUTQOASA-N 378.446 2.967 0 1 GFAF COc1cc(O)c(Cc2c(O)c(C)c(O)c(C(C)=O)c2OC)c(O)c1C(C)=O 13437428 HDXIOGOJXSHOIE-UHFFFAOYSA-N 390.388 2.831 0 1 GFAF biogenic COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ncccc1C3=O 72123015 OANWLTOLWCLRIF-UHFFFAOYSA-N 393.443 2.577 0 1 GFAF CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1csc(-c2ccccc2)n1 82088102 OUTXMKFOLZPQEV-UHFFFAOYSA-N 375.494 2.766 0 1 GFAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)C(=O)CC[C@@](C)(O)[C@@H]2O1 198522012 XTZRJSQVKAGUBF-BIQOJAMWSA-N 396.524 2.629 0 1 GFAF CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C(C)C)N2 82206655 QWSKLHGZOKTGNQ-GOSISDBHSA-N 392.459 2.620 0 1 GFAF Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](O)C3)n2)n1 224849717 QEULBJUCNBXCDE-INIZCTEOSA-N 387.447 2.542 0 1 GFAF NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2(F)CCC2)c(OCC2CC2)n1 146329386 ROILYTSORRJSDC-AWEZNQCLSA-N 397.397 2.554 0 1 GFAF CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3C)cc1)[C@@H](CO)N2C(C)=O 95793974 HFPFWOUAQJBAPK-YADHBBJMSA-N 378.472 2.570 0 1 GFAF CN(C)C(=O)N=c1cccc2n(C)c(-c3ccc(OC(=O)N(C)C)cc3)cn12 377819938 DISUNGYVPYEJON-UHFFFAOYSA-N 381.436 2.588 0 1 GFAF CC(C)(C)CN1C[C@@H](COc2ccccc2)Oc2ccncc2S1(=O)=O 299851088 FANOFSRPUSDDCD-INIZCTEOSA-N 376.478 2.958 0 1 GFAF CCOC(=O)[C@@H](F)[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587507361 PTOFCZZDWYULTI-YLJYHZDGSA-N 378.396 2.734 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)N3CCOCC3)cc1)O2 587401626 URDBLJMIKZMXHY-HXUWFJFHSA-N 396.443 2.521 0 1 GFAF CC[C@H](c1nc2c(N)ccnc2[nH]1)n1cc(I)c(C)n1 587185057 PCQJLWREGWDVRN-SNVBAGLBSA-N 382.209 2.649 0 1 GFAF CC(C)COc1cc2nc(-c3c[nH]c(=N)nc3O)[nH]c2cc1Br 587253519 LGNKLUPCGBNJLS-UHFFFAOYSA-N 378.230 2.935 0 1 GFAF COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395942 WLHPOWXHTPEGHU-GHTZIAJQSA-N 382.416 2.588 0 1 GFAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(C)cc3[nH]2)c1 587232330 WVEQZEIAMPAPQH-UHFFFAOYSA-N 380.448 2.819 0 1 GFAF COc1cncc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 587186256 TVUTWCKZJOJSRB-NSHDSACASA-N 394.216 2.814 0 1 GFAF CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccnn1C 13583758 HAGIEVUAKJPHTP-AWEZNQCLSA-N 378.473 2.793 0 1 GFAF N=C(N)N1CCc2ccc(OCC3CCN(Cc4ccccc4N)CC3)cc2C1 13644363 OJVAJRYNUFMJTP-UHFFFAOYSA-N 393.535 2.811 0 1 GFAF CCS(=O)(=O)N[C@H]1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204987272 LVDKZTHQIJVVBW-IBGZPJMESA-N 399.516 2.974 0 1 GFAF CC[C@H](CNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1ccccc1 208986375 GOECOLXFQMXWTH-HPNQWNLUSA-N 380.492 2.504 0 1 GFAF CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccnc1 4733528 WANQJNGGFTWHKP-WOJBJXKFSA-N 397.475 2.926 0 1 GFAF CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 101068885 ILEJORXRDPNPIM-HNNXBMFYSA-N 393.443 2.997 0 1 GFAF CC[C@]12CCCN3CCc4c(n(c5c(OC)cccc45)[C@](O)(C(=O)OC)C1)[C@H]32 2356434625 YOPDTZWFESWRCS-ILWGZMRPSA-N 384.476 2.961 0 1 GFAF O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2ncn(CCCCO)c12 28356271 SIJYBMLNZYHCPV-UHFFFAOYSA-N 382.251 2.811 0 1 GFAF CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1C=C(OC)C(=O)OC 2356754437 CHASADHUGZYMJT-RIELGZFVSA-N 384.476 2.700 0 1 GFAF COCCNC(=O)[C@]1(C)CCN(C(=O)c2sc(-c3ccccc3)nc2C)C1 61898302 KLDDVYYNHQMUJZ-HXUWFJFHSA-N 387.505 2.733 0 3 GFAF CN(C#N)CCc1cc(Br)c(OCCCN)c(Br)c1 14594687 OCLFQHXQMZLXNI-UHFFFAOYSA-N 391.107 2.895 0 1 GFAF biogenic CCCC[C@@H](CC)CNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl 43076330 QNBONRHBWWFPLO-GFCCVEGCSA-N 378.860 2.520 0 1 GFAF COc1cc([C@@H]2c3ccccc3C(=O)N3C=CN(C(C)=O)C[C@@H]23)cc2c1OCO2 13918891 XXMYEEZJCBJUQK-FXAWDEMLSA-N 392.411 2.714 0 1 GFAF biogenic COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCOC[C@H]4C)ncn3)c2c1 225561861 BAVGNJJJQKUERA-KGLIPLIRSA-N 383.452 2.659 0 1 GFAF CN(C)C(C)(C)COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085526 JLOIAEOVJXPQFB-CQSZACIVSA-N 391.493 2.891 0 1 GFAF COC(=O)c1ccc(Cn2cc(/C=C3/C(=O)N=C(N)N3C)c3ccccc32)cc1 45387584 GZPRMGUFQDSMBC-ODLFYWEKSA-N 388.427 2.604 0 1 GFAF CC(C)Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)nc(N)n1 146496146 UUPNCUHSQHBGSS-CQSZACIVSA-N 376.844 2.857 0 1 GFAF CC(=O)N1CCC(c2nc(=NCc3ccccn3)[nH]cc2-c2cc(C)no2)CC1 473135168 LYFPYYHYWZMJNN-UHFFFAOYSA-N 392.463 2.595 0 1 GFAF COC(=O)CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587581468 LHOZRMAXVQCQKQ-RXVVDRJESA-N 394.383 2.855 0 1 GFAF CCOC(=O)[C@@]1(c2nccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574893 CPYKZMNDZKMTTP-HRAATJIYSA-N 394.383 2.546 0 1 GFAF COc1cccc([C@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807750 MATKNIZDJXWZGQ-YPMLDQLKSA-N 396.256 2.685 0 1 GFAF O=C1N[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)Nc2ccccc21 587593400 JJHJISFAASTFQC-JRGCBEDISA-N 388.379 2.904 0 1 GFAF COC(=O)C[C@@]1(c2cccc(OC)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963037994 ZFEDGOMEUXJULI-FPTDNZKUSA-N 380.444 2.555 0 1 GFAF COc1cc(/C=C2\SC(=O)N(C)C2=O)c(I)cc1O 1857573106 GEPVCTCKAKBDMS-WMZJFQQLSA-N 391.186 2.672 0 1 GFAF COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(=O)c1ccccc1 1772632679 ZJKAEGLLMBLWNT-UHFFFAOYSA-N 394.431 2.511 0 1 GFAF COc1ccc2c3c1O[C@H]1C4(CC[C@@H]5[C@H](C2)N(CC2CC2)CC[C@]351)OCCO4 16980358 ZKNHXBONWOGIMA-WOSNLTMFSA-N 383.488 2.888 0 1 GFAF O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC3)c21 2459285 FNFZYHGZWQJDBV-UHFFFAOYSA-N 399.310 2.533 0 1 GFAF CO[C@H]1O[C@@H](OC)[C@@]2(O)CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]12O 2356391694 ZREXTCZRHMQYKD-RQEBWHQUSA-N 396.524 2.646 0 1 GFAF CN1[C@H]2CCC[C@@H]1C[C@@H](OC(=O)/C=C/C(=O)O[C@H]1C[C@@H]3CCC[C@H](C1)N3C)C2 103234042 MFNAFDPWZJRJGO-UFDOXLIFSA-N 390.524 2.660 0 1 GFAF NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1 103269439 VGEOKMJZNOMHTI-UHFFFAOYSA-N 376.829 2.660 0 1 GFAF Oc1cccc(-c2cc(NCCc3cccnc3)nc(N3CCOCC3)n2)c1 66252300 IHJQXAWZJZIBPD-UHFFFAOYSA-N 377.448 2.735 0 1 GFAF CC[C@@H]1C=CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(NC(=N2)N34)O[C@@H](C)CC[C@H]5O)O1 2356508057 PVERDUFTDYLFAY-OFRBEMTDSA-N 375.513 2.670 0 1 GFAF CC=C1CN2COC[C@@]3(C(=O)OC)[C@H]1CC(=O)c1[nH]c4ccccc4c1C[C@@H]23 2356560266 REDFKTMHKJZVCQ-DKZVUGQWSA-N 380.444 2.691 0 1 GFAF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2CC[C@H]1O 6018800 DBCVUIBEXPYXAJ-AKMABLNSSA-N 384.476 2.656 0 1 GFAF biogenic Cn1c(=O)nc2n(CCC3CCCCC3)nc(-c3cccc(F)c3)nc-2c1=O 49069082 RTGFJCYBOGPTTD-UHFFFAOYSA-N 383.427 2.613 0 1 GFAF O=C(CN1CC(=O)N(c2ccccc2)C1=O)NCc1ccc(F)cc1Cl 49784789 SYEIXMRHVLTFBN-UHFFFAOYSA-N 375.787 2.564 0 1 GFAF Nc1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccn1 144426024 CKSIAVBIICXVIU-MRXNPFEDSA-N 379.420 2.846 0 1 GFAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)c3c(n2)CCC3)c1O 299838952 RNZDPRPLOFMQLN-UHFFFAOYSA-N 383.857 2.956 0 1 GFAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(=O)n(C)c(=O)n1C 587860254 SAWCOKBIUWEKAU-UHFFFAOYSA-N 395.246 2.642 0 1 GFAF Oc1nc(O)c2nc(-c3cc(I)ccc3Cl)[nH]c2n1 587182870 ONSPVJTYYWHYJZ-UHFFFAOYSA-N 388.552 2.689 0 1 GFAF COc1ccc2c(c1OC)[C@]1(CCCN(C)C1)N(C(=O)c1ccccc1N)CC2 963148383 ZLMNVFRUAWRZCB-HSZRJFAPSA-N 395.503 2.905 0 1 GFAF CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1 169689794 KIMNGRGQSXOADQ-PMACEKPBSA-N 393.487 2.683 0 1 GFAF CNc1nc(Nc2ccc(S(C)(=O)=O)cc2OC)ncc1C(F)(F)F 205924815 WJLZAIIJHMGDNS-UHFFFAOYSA-N 376.360 2.693 0 1 GFAF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)C1 4051787 DVBWTGDJUHVJQV-LNLFQRSKSA-N 383.473 2.577 0 1 GFAF Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C[C@@H]2C)c1 4057356 RYKXPNFSKZQLRP-INIZCTEOSA-N 399.516 2.779 0 3 GFAF aggregator CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCO 4310675 KJBZPCCWWUNKBW-MOPGFXCFSA-N 378.469 2.826 0 1 GFAF CCOC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 100998227 NGDXDQSSXJGFDM-QUZFRVLNSA-N 383.488 2.829 0 1 GFAF CCCCN1CC2(CCN(C[C@H](O)COc3ccccc3OC)CC2)OC1=O 28760041 AXHBFXSQBQSROO-KRWDZBQOSA-N 392.496 2.522 0 1 GFAF Oc1cccc(-c2cc(NCCc3ccncc3)nc(N3CCOCC3)n2)c1 66252526 AFMIHLJFMZGXFK-UHFFFAOYSA-N 377.448 2.735 0 1 GFAF COc1cccc(OCc2nc3c(OC)cc(-c4cn[nH]c4)cc3c(=O)[nH]2)c1 66074388 UYTMCHWFMUYGJQ-UHFFFAOYSA-N 378.388 2.909 0 1 GFAF C[S@](=O)c1cc2n(c1C(=O)c1ccc(Br)cc1)CC[C@@H]2C(=O)O 28224398 BLIQSPOMTUZSPX-BSNNYGBQSA-N 396.262 2.791 0 1 GFAF OC[C@@H]1[C@H](O)C[C@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 2356462208 JXUBJTNCLGIIGI-CLAROIROSA-N 396.535 2.609 0 1 GFAF CCN1CCC[C@H]1CNC(=O)c1c(F)c(Br)cc(O)c1OC 64436367 ZDHMIAFTJQSDLK-VIFPVBQESA-N 375.238 2.517 0 1 GFAF O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 72175755 XHLJZYGFINEFMX-QYZOEREBSA-N 396.491 2.533 0 1 GFAF COc1cccc(C(=O)NCc2cccc(C(=O)NCCc3ccncc3)c2)c1 45335562 BWSLHIWAZHDBCF-UHFFFAOYSA-N 389.455 2.993 0 1 GFAF COC(=O)C1=C(OC)C(=O)O[C@@H]1c1c(Cl)c2cc(C)c(C)cc2oc1=O 1911571342 KEVFCEYGDJFMPR-CQSZACIVSA-N 378.764 2.735 0 1 GFAF CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ncc(Br)cn3)C2)cc1 145733991 MDPIYITZHPSWQW-LBPRGKRZSA-N 389.297 2.910 0 1 GFAF COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)OC)[C@@H]1N(CCc1c2[nH]c2ccccc12)[C@@H]3OC 238761597 JJOKMAKPXJZYLG-XKIUFVLVSA-N 398.503 2.853 0 1 GFAF COc1ccc(-c2ccc3ncc4[nH]c(=O)n([C@H]5CC[C@H](O)CC5)c4c3n2)cn1 261190209 YWKQALJDAFOFGE-HDJSIYSDSA-N 391.431 2.819 0 1 GFAF Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(F)cc3)ccc12 299831356 JDBAVTHSLBRRSD-UHFFFAOYSA-N 376.365 2.751 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)C2CCOCC2)N1 587752602 DVBWRCWUKZZWHQ-MGPLVRAMSA-N 385.277 2.706 0 1 GFAF O=S(=O)(NCCc1nc2cnc3ccccc3c2[nH]1)c1ccc(Cl)nc1 586942056 GGINKZWHIZJVEB-UHFFFAOYSA-N 387.852 2.681 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3[C@@H](C(=O)O)NC[C@@H]32)N1 587799055 VZTJJJJPYJISPX-ILULZNAHSA-N 397.288 2.790 0 1 GFAF CC(C)COc1cccc(OCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587565460 BCUXOXKIAOSOJD-UHFFFAOYSA-N 375.450 2.824 0 1 GFAF O=C1N[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)Nc2ccccc21 587593397 JJHJISFAASTFQC-DUXKGJEZSA-N 388.379 2.904 0 1 GFAF COC(=O)[C@@H]1CC[C@H](C)[C@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N12 962661913 IJZTVCMCZUVBRA-TWNWIDSVSA-N 382.460 2.748 0 1 GFAF C[C@@]1(CC(=O)Nc2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962898891 MTHMQFKXVDOMTC-KXBFYZLASA-N 378.350 2.947 0 1 GFAF O=C(NC[C@H](c1cnc(C(F)F)nc1)N1CCOCC1)c1ccccc1Cl 1772597273 ZQEUYWGTZUNJCO-OAHLLOKOSA-N 396.825 2.871 0 1 GFAF COc1cnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)cc1OC 13451963 QHJAZTPZMQWHLD-AREMUKBSSA-N 383.376 2.884 0 1 GFAF O=C(Cc1ccccc1)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 14487464 IESHQCNZSICVDD-FCMAGTKHSA-N 382.504 2.636 0 1 GFAF COC(=O)/C=C\c1cc(OC)c2c(c1)[C@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 15152993 DPDJZJNYBSGDHT-UOPUXJMHSA-N 386.400 2.805 0 1 GFAF endogenous,in-man CCCc1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 169322264 LNZXODVTCPWAAL-KRWDZBQOSA-N 391.427 2.784 0 1 GFAF CO[C@]12C=C[C@]3(C[C@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 169716258 VAGUZCYSBGOWIA-SJRIGITRSA-N 395.499 2.528 0 1 GFAF O=C(NC[C@@H]1CCCCO1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166511938 LMLAHQXYKBGDEV-IBGZPJMESA-N 380.448 2.928 0 1 GFAF CC(C)(CCC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(CC(=O)O)CC1 26183086 UNHGPTSJDSBRQV-UHFFFAOYSA-N 387.480 2.673 0 1 GFAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)C[C@@H]1O 26508707 NBDWJVSTDQLLBS-DZKIICNBSA-N 380.876 2.860 0 1 GFAF CN1[C@@H]2CC[C@@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)CC2 102293226 SZZGPPLXAUEWHX-TZMCWYRMSA-N 385.439 2.847 0 1 GFAF N#Cc1cccc(N2C(=O)c3ccccc3[C@]2(O)c2ccc3c(c2)NC(=O)CO3)c1 116253003 RGSGFWJUJNUZIO-HSZRJFAPSA-N 397.390 2.743 0 1 GFAF N[C@@H](Cc1ccccc1)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 61908471 WMKFDWYUSKPXKD-INIZCTEOSA-N 397.504 2.636 0 3 GFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncc[nH]4)C[C@H]3C2)n1 116828039 QEVBCAXNRGHXGN-IRXDYDNUSA-N 388.475 2.692 0 1 GFAF Cc1cccc([C@H](CC(=O)O)NC(=O)c2cc(=O)n(-c3ccccc3F)[nH]2)c1 95555179 SBFJKFXXBXPDTM-HNNXBMFYSA-N 383.379 2.559 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1c(Br)cc(C(=O)O)n1C)[C@@H](C2)C3=O 587412511 IPMKMFIDVYZHTC-FVMDXXJSSA-N 392.205 2.983 0 1 GFAF O=C1COc2cc3[nH]c(-c4cncc(I)c4)nc3cc2N1 587184223 FUIBRGKMHDGCDN-UHFFFAOYSA-N 392.156 2.560 0 1 GFAF CN(Cc1nc2cc(Br)c(F)cc2[nH]1)S(=O)(=O)c1cccnc1 586928748 JKTQEWVVYIVDOZ-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587393429 IIHOEIJMNWFSIE-FDDCHVKYSA-N 394.471 2.976 0 1 GFAF CN[C@H](c1cccnc1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587220454 CAEHACBGYCHQKK-CYBMUJFWSA-N 375.226 2.816 0 1 GFAF CCOC(=O)CC[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440880 IJSUTPPTVBUJSV-ZSDSOXJFSA-N 390.432 2.724 0 1 GFAF COCCNc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12 1772586741 QUABZIZLNWICDH-MRXNPFEDSA-N 384.440 2.525 0 1 GFAF COc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1 13759345 VDVCCROWWDIMIS-UHFFFAOYSA-N 377.554 2.909 0 1 GFAF O=C1c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H](O)c2cc(O)cc(O)c21 14637626 QLUPKRIWOVDUPU-FXAWDEMLSA-N 380.352 2.625 0 1 GFAF biogenic,in-vitro COc1c2c(nc3occc13)[C@@](/C=C/C(C)(C)O)(OC)[C@H](OC(C)=O)CC2 15267402 COPSXBJZFMKKPE-VYJOMICCSA-N 375.421 2.883 0 1 GFAF biogenic,in-vitro COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C(C)=O)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 169343459 OHTVSMGBAJOEFI-MYFMVCCBSA-N 381.472 2.529 0 1 GFAF O=C1NC(=O)/C(=C2\CN(Cc3ccccc3)S(=O)(=O)c3ccccc32)S1 3630132 XPQKMTDZQDCSDY-PEZBUJJGSA-N 386.454 2.585 0 1 GFAF Cc1cccc(N2CCC(c3[nH]nc4c3[C@@](O)(C(F)(F)F)CC(=O)N4)CC2)n1 1857563106 FHIYIFMIKLJBBV-QGZVFWFLSA-N 395.385 2.589 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2cccc(n2)NC/C=C/COc2ccc(Cl)c1c2 103260911 NNZXXIHLUGBLFO-PYKQWIPUSA-N 387.823 2.521 0 1 GFAF CC(=O)Oc1ccc2c(c1)c1c(=O)oc(=O)[nH]c1n2CCCc1ccccc1 28015649 NSPUXNOJTKCOJP-UHFFFAOYSA-N 378.384 2.994 0 1 GFAF CC(=O)Oc1cc2c(cc1C(CO)CO)CC[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 2356671984 RFZYDRDAPXBEPG-ILWGZMRPSA-N 390.476 2.775 0 1 GFAF COc1c(C(=O)O)c(O)c(NS(=O)(=O)c2ccc(C)cc2)c2occc12 64527842 ZPMRUJAOQRGOOB-UHFFFAOYSA-N 377.374 2.954 0 1 GFAF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]2(C)[C@@H]1C(=O)CO 40475174 FFWNOWIHZBNWLB-ZKBDHOCYSA-N 392.923 2.906 0 1 GFAF Nc1n[nH]c2nc(N3CCCCC3)c3c(c12)CCN(C(=O)c1ccc(F)cc1)C3 49089095 RTRVVHLTJHRRNU-UHFFFAOYSA-N 394.454 2.868 0 1 GFAF CCCCOCCCNC(=O)CNC(=O)c1csc(Nc2ccccc2)n1 82084832 VMYLLMVYTFFEHC-UHFFFAOYSA-N 390.509 2.940 0 1 GFAF COc1ccc(-c2cc3ncccc3c(OC[C@H]3CC(=O)NO3)n2)cc1OC 141918314 ZYYLVPQUUBPENL-CYBMUJFWSA-N 381.388 2.513 0 1 GFAF NS(=O)(=O)c1ccc(-n2cc(CO)c(-c3ccc4ccccc4c3)n2)cc1 95589494 CZBNBNMWMXVDGO-UHFFFAOYSA-N 379.441 2.832 0 1 GFAF CCCC(=O)N1CC2(CCN(C)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO 95661760 UFULIBISIAPRDQ-LJQANCHMSA-N 399.535 2.826 0 3 GFAF O=C(C1CCC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 95794745 MUVVKOMLIFNIHE-IAGOWNOFSA-N 382.426 2.780 0 1 GFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C(C)=O)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 253638115 OHTVSMGBAJOEFI-OMJSCAMYSA-N 381.472 2.529 0 1 GFAF COc1cc2c(cc1OC)[C@@H]1Cc3cc(O)c(OC)c(OC)c3C(=O)N1CC2 49033692 DIVIAERXGKYILW-AWEZNQCLSA-N 385.416 2.722 0 1 GFAF biogenic Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(C)ccnc2[nH]1 586947142 XCEJLCCIVSNUIF-AWEZNQCLSA-N 386.477 2.699 0 1 GFAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587079025 FMMQDAAWMMZHFA-LBPRGKRZSA-N 389.868 2.588 0 1 GFAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccccc1NC=O)[C@@H](C2)C3=O 587433210 OZBYMQOIBAKJBL-BTYIYWSLSA-N 381.384 2.771 0 1 GFAF COC(=O)/C(=C\N(C)C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587756268 QPKALWZLZIGICN-TWTFLCLZSA-N 385.277 2.956 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092871 HOYQFUXOAIKGPU-UHFFFAOYSA-N 388.396 2.927 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(n2)NC(=O)CO3)N1 587798297 ZTPKFXXTDVUVGH-PWJLMRLQSA-N 392.228 2.938 0 1 GFAF COc1cc2c3c(c1)O[C@]1([C@@H](C(=O)C(=O)O)[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587446811 GAYAMQLPPPGKSF-SMYCDACTSA-N 384.428 2.907 0 1 GFAF c1cc2c(Cc3c[nH]c4cc(C5=NCCN5)ccc34)c[nH]c2cc1C1=NCCN1 1772634217 AUMVRLFITXLDOS-UHFFFAOYSA-N 382.471 2.940 0 1 GFAF CC(=O)N[C@@H](Cc1ccc2[nH]c(N)nc2c1)C(=O)c1nc2ccccc2s1 14955365 IFINCNCFBNELQY-HNNXBMFYSA-N 379.445 2.685 0 1 GFAF Fc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1 205249282 LDNKOJMEWRTTJB-UHFFFAOYSA-N 375.411 2.631 0 1 GFAF O=C(NCCCN1CCOCC1)c1csc(=Nc2ccc(Cl)c(F)c2)[nH]1 1857574095 GXODMZVGUHGYND-UHFFFAOYSA-N 398.891 2.553 0 1 GFAF COc1ccc2c(c1)O[C@H]1Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)[C@]21O 2356396230 FIMAXIYZYKLKSA-LEWJYISDSA-N 384.384 2.797 0 1 GFAF CC(C)C(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356527968 MRZVSQHCBLKLKZ-SCTDSRPQSA-N 376.428 2.704 0 1 GFAF CC(C)[C@H](C(=O)NC1CC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 8235907 UWZYFRAAONHVCD-VGOFRKELSA-N 394.475 2.507 0 1 GFAF biogenic COc1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1 35279660 UUSYXRWQMSIPSN-UHFFFAOYSA-N 386.477 2.568 0 1 GFAF CC[C@@H]1C(C(=O)OC)=C2Nc3cc(OC)ccc3[C@@]23CCN2C(=O)C=C[C@H]1[C@H]23 33833161 GAFRJVYOKFJQKI-WPCGYXSLSA-N 380.444 2.612 0 1 GFAF COc1c2c(cc3c1OCO3)[C@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)OC[C@H]1C2 14641205 CCJWJASNEQOVDI-CNOZUTPLSA-N 382.368 2.630 0 1 GFAF biogenic N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1)C1CCCCC1 45386851 BLSWPXPYVBVUER-ZWKOTPCHSA-N 377.916 2.855 0 1 GFAF O=C1NCCCC[C@H]1N(Cc1nccs1)S(=O)(=O)c1ccc(Cl)cc1 71340283 XHGPKPGCQISHQT-CQSZACIVSA-N 399.925 2.656 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CNC(=O)C1CC1 95895032 DZMKJVSMHVDZJH-BDTNDASRSA-N 396.462 2.694 0 1 GFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(OC)cc1 95893860 SHFUOGPGKDYKCR-BHDDXSALSA-N 395.503 2.964 0 1 GFAF COc1ccc(Nc2ncc(CN3CCCC3)cc2-c2nc(C)nc(N)n2)cn1 95555375 KPKRMMWVCSAMKZ-UHFFFAOYSA-N 392.467 2.567 0 1 GFAF N[C@@H](CCOc1ccc(O)n1-c1cc(Cl)cc(Br)c1)C(=O)O 587941547 SHNPTAPTGAKZQC-NSHDSACASA-N 389.633 2.780 0 1 GFAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 586980841 GIUJCUNXKZXJRV-UHFFFAOYSA-N 385.225 3.000 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)O)O2 587393146 GIFZJHIPYGFZLF-JTSKRJEESA-N 380.444 2.888 0 1 GFAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4nc5nonc5nc41)[C@@H](C2)C3=O 587437676 JCAGFOFOILXLCB-YEJXKQKISA-N 384.351 2.693 0 1 GFAF CS(=O)(=O)Nc1ccccc1Cc1nc2c(Br)ccnc2[nH]1 586950587 ZNWFFMDPECTMDI-UHFFFAOYSA-N 381.255 2.683 0 1 GFAF Nc1ncc(-c2ccc(CN3CCOCC3)s2)cc1C(=O)Nc1ccncc1 150124134 BXMGOFSMDOETKZ-UHFFFAOYSA-N 395.488 2.872 0 1 GFAF CO[C@@H]1CCN(C(=O)C2CCN(c3cncnc3-c3ccc(F)cc3)CC2)C1 1857613863 IJAVAHHYIVEODK-GOSISDBHSA-N 384.455 2.746 0 1 GFAF CCc1nnc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)s1 4411356 MKUUSBDOFHLNDM-UHFFFAOYSA-N 391.478 2.814 0 3 GFAF CN1CCN(C(=O)c2ccc(-c3nn(C)/c(=N/C4CCCCC4)s3)cc2)CC1 28386915 VPXVKAVMTZIQPH-DQRAZIAOSA-N 399.564 2.770 0 1 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C1CCCCC1 61902224 ZMPMNXGSMHWTFJ-SFHVURJKSA-N 398.912 2.716 0 3 GFAF CCCC[C@H](O)[C@@H](O)C=CC=C(CCCCCCCC(=O)O)C[C@H](O)CO 2356499146 VNDAARHBSHHHLS-UFYCRDLUSA-N 386.529 2.940 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@]3(O)OC(=O)C(C)=C3[C@H](OC)[C@]2(C)[C@H]1C 2356545829 PRSQOZKCWFGGER-PHWYYDIVSA-N 376.449 2.818 0 1 GFAF CO[C@@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)C[C@H](C(C)(C)O)O2 2356851358 QGWNXSMDRPLOFM-DENIHFKCSA-N 396.439 2.992 0 1 GFAF Cc1cc(C)n(-c2nc3sc(C(N)=O)c(C)c3c(=O)n2Cc2ccccc2)n1 84727721 PQMHFYBGZCJHOY-UHFFFAOYSA-N 393.472 2.716 0 1 GFAF CCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCCC1 198921047 JTDDMJSBKREXAP-ROUUACIJSA-N 393.528 2.731 0 3 GFAF CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437342 YDIFSAUQWSALNM-ZMPRRUGASA-N 379.412 2.777 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)[C@@H](C2)C3=O 587426709 ATUXHNAYMQGNCQ-QAJFTPDKSA-N 391.420 2.569 0 1 GFAF CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)c1Br 586980413 XXBMRSZUJOVPKL-UHFFFAOYSA-N 399.270 2.908 0 1 GFAF CC1(C)OC(=O)C([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O1 587619804 ZJHMMCGBUHZJFO-LHSJRXKWSA-N 398.367 2.565 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(N)(=O)=O)c2)N1 587840142 JSNIHEFUGMYVNL-JDNHERCYSA-N 399.285 2.859 0 1 GFAF Cc1c(O)ccc2c1[C@](C)([C@@H](NC(=O)c1ccccc1)C(C)C)N[C@H](C(=O)O)C2 963510379 QHBHZLWGZCPQDK-KPDCDPCYSA-N 396.487 2.969 0 1 GFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2c(Cl)ncnc2N2CCCCC2)N1 962913197 RARDSRIIQKVVGT-XJKSGUPXSA-N 390.846 2.948 0 1 GFAF COC(=O)C[C@]1(c2ccc(Cl)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962924574 KWALZIQQJNFSTF-OAQYLSRUSA-N 386.879 2.994 0 1 GFAF COc1ccc(Cc2nc3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3o2)cc1 12592872 VNJLLDOPOYSMDB-UHFFFAOYSA-N 393.443 2.765 0 3 GFAF O=C1c2ccccc2C(=O)N1CCn1nc(-c2cccnc2)c2ccccc2c1=O 13600571 XGDWMNHLNMFBFI-UHFFFAOYSA-N 396.406 2.755 0 1 GFAF CC(=O)NCC[C@H]1CN(C(=O)/C=C/I)c2ccccc21 1644523 MHGHKECOHLJWOC-WMADIVHISA-N 384.217 2.592 0 1 GFAF O=C(c1ccn(-c2nc(O)c3sccc3n2)n1)N1CCC(C(F)(F)F)CC1 1857591236 GLXTXOGKSLXELJ-UHFFFAOYSA-N 397.382 2.997 0 1 GFAF Cc1cccc(Nc2ncnc3oc(C)c(C(=O)NCCN4CCOCC4)c23)c1 1857654803 RCHHFCPZUQGQEZ-UHFFFAOYSA-N 395.463 2.645 0 1 GFAF COC(=O)c1c(O)c2c(c3c1O[C@@H]1OCCC[C@@H]1C3)O[C@@H]1OCCC[C@@H]1C2 1857749329 VLCZSLVUCNVMRL-HPUVFHFKSA-N 376.405 2.554 0 1 GFAF O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2cccnc2)CC1 1347992 RCOATEVJJUMFQT-UHFFFAOYSA-N 386.395 2.773 0 3 GFAF CCN1c2nc(-c3ccccc3)cnc2C(NCc2ccccc2)=NS1(=O)=O 27419373 LZQXPGOUCHMIRC-UHFFFAOYSA-N 393.472 2.765 0 1 GFAF CCCc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 28949198 KGDXJZWTCQGIGS-INIZCTEOSA-N 382.464 2.979 0 1 GFAF CC(=O)OC[C@]1(C)C2=CC[C@@H]3C[C@](C)([C@H](O)CO)CC[C@]3(C)[C@H]2CC[C@@H]1O 2356391470 WTYBTRGTZZAJCG-ZHPQJHMVSA-N 380.525 2.823 0 1 GFAF CC[C@H]1CN2CC[C@]3(O)C(=Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 26836879 PJGRQHUQRFABAE-BRSGZFOASA-N 384.476 2.784 0 1 GFAF OCCN1CCN(c2nccc(NC(c3ccccc3)c3ccccc3)n2)CC1 72125797 FZADFPZVKLQJAL-UHFFFAOYSA-N 389.503 2.792 0 1 GFAF Cc1ccc(-n2c(=O)n3n(c2=O)[C@H]2C(=CC3)C(C)(C)Oc3cc(O)ccc32)cc1 71331065 WYRMDJLRCUMOCP-LJQANCHMSA-N 391.427 2.515 0 1 GFAF CNC[C@@H]1Oc2ncc(/C=C/c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95734605 HURDRCJWSCCATG-RKXYDSBSSA-N 395.503 2.692 0 1 GFAF Cc1nn(-c2ncccn2)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F 95565225 NQDWFEXHXNDFQQ-UHFFFAOYSA-N 375.354 2.555 0 1 GFAF O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95893652 LBULXBMGSONBTN-VJBWXMMDSA-N 392.499 2.789 0 1 GFAF O=C1C[C@]2(CNS(=O)(=O)c3ccsc32)Oc2c1ccc1c2CCCC1 587533884 YAYRIFFTWMOINB-GOSISDBHSA-N 375.471 2.780 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1c[nH]c3ccccc13)O2 587407926 JVTUXAPMFHCFSA-HXUWFJFHSA-N 384.457 2.964 0 1 GFAF N=c1ncc(-c2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c[nH]1 587253664 CJSJZBOSLAOAJO-UHFFFAOYSA-N 386.459 2.932 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(O)cc2[nH]1 586945061 CMGAPAQYQJMFLU-CQSZACIVSA-N 387.461 2.701 0 1 GFAF CCOC(=O)C[C@H](C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC 587441652 LNVHLXOIKRYIAC-MFLXSWDHSA-N 390.432 2.724 0 1 GFAF CCOc1ccccc1[C@](N)(c1nc2cc(C(=O)OC)ncc2[nH]1)C(F)(F)F 587093296 RTTDIOCDPVUYKY-KRWDZBQOSA-N 394.353 2.908 0 1 GFAF C[C@H]1CN(c2ccc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cn2)C[C@@H](C)O1 962897468 CWXDXBGMVWQHKJ-JTWHMJLVSA-N 385.439 2.523 0 1 GFAF COc1cccc(C(=O)c2cc(C(=O)C(F)(F)F)n(-c3cnn(O)c3)c2)c1 1772601102 HQCQHGZKKHYKHL-UHFFFAOYSA-N 379.294 2.896 0 1 GFAF N=C(N)c1ccc2nc(-c3ccc(-c4nc5ccc(C(=N)N)cc5[nH]4)o3)[nH]c2c1 5974298 FZFQYUOWNRDPNY-UHFFFAOYSA-N 384.403 2.934 0 1 GFAF O=C(NC1CCOCC1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12429315 CPRSQGSBHRBPQW-AWEZNQCLSA-N 384.398 2.739 0 3 GFAF Cc1ccc(-c2noc([C@H]3C[C@H]3O)n2)cc1NC(=O)c1cnc2ccccn12 206107600 VVYKXEVSEJUERS-XJKSGUPXSA-N 375.388 2.793 0 1 GFAF [O-][n+]1ccc(Cl)cc1-c1cc(Cl)cc(-c2cc(Cl)cc[n+]2[O-])[n+]1[O-] 238809334 PTPZMOJYZCKVBN-UHFFFAOYSA-N 384.606 2.881 0 1 GFAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100703203 PYKOICJEFGYRSR-MRXNPFEDSA-N 381.432 2.697 0 1 GFAF CN1CCN(C2=Nc3cc(Br)ccc3Nc3nn(C)cc32)CC1 26576962 IYGACQNPUQTXDA-UHFFFAOYSA-N 375.274 2.565 0 1 GFAF O=C1OC[C@H]2CCN(S(=O)(=O)Cc3ccccc3)Cc3ccc(F)cc3N12 2356582932 CPUONOCYHFAEKD-QGZVFWFLSA-N 390.436 2.887 0 1 GFAF COc1cc(OC)c(OC)cc1CNc1ncnc2c1ncn2[C@@H]1CCCO1 40916653 GWTFLOUWTWTJIF-INIZCTEOSA-N 385.424 2.773 0 1 GFAF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(S(N)(=O)=O)CC2 40894795 ITRRXDRKBBXWKJ-QGZVFWFLSA-N 382.869 2.508 0 1 GFAF CCN1CCN(c2c(C(=O)N(CC)CC)c3nccn3c3ncccc23)CC1 45261099 NRCPXIHNHNPXGC-UHFFFAOYSA-N 380.496 2.506 0 1 GFAF COC[C@@H]1CCCN1c1nc(N(C)C2CCN(C)CC2)nc2ccsc12 1911577424 KRZYVICJMVGWPV-HNNXBMFYSA-N 375.542 2.837 0 1 GFAF O=C(Nc1cnccn1)Nc1ccnc2ccc(N3C[C@H]4COC[C@@H]4C3)cc12 43208203 VEZQCXWMPWTPJL-KBPBESRZSA-N 376.420 2.751 0 1 GFAF C[C@@H]1Cc2c(nnn2-c2ccn[nH]2)CN1C(=O)c1cccc(C(F)(F)F)c1F 222375288 JWJNXWJNUVFQCA-SECBINFHSA-N 394.332 2.735 0 1 GFAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCCC(F)(F)C4)ccc23)cn1 221609236 DKUXSCIUWREULD-UHFFFAOYSA-N 385.418 2.965 0 1 GFAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OS(N)(=O)=O 49067573 AOEHUXLJSHGXHN-UPCNGNSLSA-N 381.494 2.846 0 1 GFAF Cc1n[nH]c(C(=O)Nc2nnn[nH]2)c1Cc1cccc(-c2ccc(F)cc2)c1 95553391 FUYIFFDZNKCNQC-UHFFFAOYSA-N 377.383 2.880 0 1 GFAF N[C@@H](N=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587185912 YIPHOQPRTLUWNJ-LBPRGKRZSA-N 379.161 2.953 0 1 GFAF COc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602185 XECXUFNSIKVEMW-AVRDEDQJSA-N 394.379 2.569 0 1 GFAF O=C1COc2cc3nc(-c4cccn5c(Br)cnc45)[nH]c3cc2N1 587007666 MQNIDLGXMXNKPM-UHFFFAOYSA-N 384.193 2.971 0 1 GFAF CC[C@H](C)n1ncc(I)c1-c1nc2c(=N)[nH]ccc2[nH]1 587181186 OIERWFHJTQUFFV-ZETCQYMHSA-N 382.209 2.810 0 1 GFAF COC(=O)c1ccnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 587143652 CQEOTASTOPLTCD-LBPRGKRZSA-N 393.216 2.889 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(C)cc1C(=O)O 587863168 SQZKLUXZNIGONW-UHFFFAOYSA-N 394.309 2.698 0 1 GFAF O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1C(=O)c2ccccc2OS1(=O)=O 957624390 YITSGCKTRUMHBN-CQSZACIVSA-N 385.319 2.618 0 1 GFAF O=C(O)Cc1nn(Cc2nc3c(F)ccc(F)c3s2)c(=O)c2ccccc12 13860772 YAYWWCMKONHXDP-UHFFFAOYSA-N 387.367 2.960 0 1 GFAF CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1 202492761 BHSOLLYTCBMHEW-UHFFFAOYSA-N 388.474 2.758 0 1 GFAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(C(=O)c3ccccc3F)CCN21 2356408865 RAIUAXDKTNFINP-GOSISDBHSA-N 395.478 2.887 0 1 GFAF N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 101334638 DSZNDPYATDNBQS-YHPBZONMSA-N 389.402 2.771 0 1 GFAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NCCO)[C@H]2C)OCO4)c1OC 105520962 CKUCWPTUZQKDGP-VYAXVDJTSA-N 387.432 2.501 0 1 GFAF CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12 53226552 XDBJHHAFLGPGOE-FQEVSTJZSA-N 398.898 2.511 0 1 GFAF COc1cc(C[C@H]2[C@H](OC)OC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 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CCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)cc([C@@H]3CCCO3)c2[nH]1 299841437 ZVIYSCPSTJWANT-INIZCTEOSA-N 381.436 2.922 0 1 GFAF CCOC(=O)[C@H]1CN(C(C)C)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517274 KEEHPHFDMMTJSI-VGOFRKELSA-N 385.460 2.699 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(N5CCCC5)ccc41)[C@@H](C2)C3=O 587440544 BEIOAILRXHZPAQ-KSFYIVLOSA-N 376.412 2.890 0 1 GFAF COC(=O)[C@@H]1C[C@@]2(CCN1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587757642 AXDVTXOLPJKZSU-GLZQIGESSA-N 385.277 2.585 0 1 GFAF COC(=O)c1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587202722 LBUCJKBVDINRJG-INIZCTEOSA-N 397.387 2.792 0 1 GFAF COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442364 KKLAKTHVVRYQON-OPAMFIHVSA-N 380.396 2.779 0 1 GFAF COc1ccc(CC[C@@H](C)NC[C@H](O)c2ccc(O)c([S@](C)=O)c2)cc1 5751319 PAQZZCOZHPGCFW-XEOXFEJOSA-N 377.506 2.783 0 1 GFAF in-man CC(C)CCN(CCC(=O)Nc1cnc2ccccc2c1)C(=O)[C@H](N)CCCN 13587008 VEMQKEIAOLFEMX-LJQANCHMSA-N 399.539 2.504 0 1 GFAF O=C1CSCN1CCCCN1CCN(c2nc3ccccc3s2)CC1 13759450 PNMRNVZNUVLBHY-UHFFFAOYSA-N 376.551 2.731 0 1 GFAF CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1ccccc1 203472630 XAFUIYPOLDRTAG-WZONZLPQSA-N 396.487 2.933 0 3 GFAF O=C1N[C@]2(CCCc3ccccc32)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 1857554938 WWNWSLZCQVQJTE-SFHVURJKSA-N 390.848 2.812 0 1 GFAF CO[C@@H]1C=C[C@@]23c4cc5c(cc4C(=O)N(CCC(C)C)[C@@H]2CN(C)[C@@H]3C1)OCO5 1857747376 VPSOISOVNIAAKX-SBMLGJNUSA-N 398.503 2.813 0 1 GFAF NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 1554300 XXLQDUXYQQSPMF-UHFFFAOYSA-N 397.544 2.799 0 1 GFAF CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)C1 4051154 BDXHQTVNOYZSIB-ZVDOUQERSA-N 377.444 2.515 0 1 GFAF O=C(N[C@@H]1[C@H](c2ccccc2)C[C@@H](O)[C@@H]1O)c1cccnc1Oc1ccccc1 2356287187 DQWJQTGSJUUJEP-BQJUDKOJSA-N 390.439 2.882 0 1 GFAF COCCNc1nc(NCCNC(C)=O)c2sc(-c3ccccc3)cc2n1 61930972 UBOQETXCHSSLPF-UHFFFAOYSA-N 385.493 2.965 0 3 GFAF CN(Cc1ccccc1F)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 28572369 RBPUNCOZVARSRU-LJQANCHMSA-N 376.382 2.715 0 1 GFAF CC1(C)Oc2ccc(-c3nc4ncccc4[nH]3)cc2[C@H](N2CCCC2=O)[C@@H]1O 27558003 XGNABNAIXIEDRG-ROUUACIJSA-N 378.432 2.820 0 1 GFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 2356742123 URGORGLYIPMNMS-LFGUQSLTSA-N 387.499 2.819 0 1 GFAF O=C(C=CCCCC[C@@H](O)[C@@H](O)c1ccc2c(c1)OCO2)N1CCCCC1 2356756339 UEJKTNXAIXCFSD-UTKZUKDTSA-N 375.465 2.939 0 1 GFAF CO[C@H]1[C@H](OC)[C@H](CCC(C)C)O[C@@H](OCC(=O)O)[C@@H]1OCc1ccccc1 27648378 VAEAPLDXQLTUQK-JOZSIVFUSA-N 396.480 2.864 0 1 GFAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3F)nc12 95586419 UBHXBJAMMWFZRB-UHFFFAOYSA-N 375.381 2.703 0 1 GFAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(C)=O 95666936 NDGIBXUBSDKIPM-IFMALSPDSA-N 396.462 2.790 0 1 GFAF C[C@H]1CN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCO1 96168753 XNLXOHITJNIOAU-HNNXBMFYSA-N 377.448 2.518 0 1 GFAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccc(F)cc3)nc12 95587428 IUUCVBYYDKECBK-UHFFFAOYSA-N 375.381 2.703 0 1 GFAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587142253 PXKXVJVZISBKQB-UHFFFAOYSA-N 388.193 2.918 0 1 GFAF COC(=O)c1cccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 586928619 GECYWKPTCXACLG-UHFFFAOYSA-N 393.852 2.824 0 1 GFAF C[C@]1(c2ccc(C(=O)O)o2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962674067 VHEXJXKYNTULLX-RTWAWAEBSA-N 380.400 2.888 0 1 GFAF Cn1ccc(CNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)n1 167411934 ZENNHUHDCNRQOF-UHFFFAOYSA-N 375.432 2.898 0 1 GFAF O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 1857554937 WWNWSLZCQVQJTE-GOSISDBHSA-N 390.848 2.812 0 1 GFAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5cccnc5)cc4)c12)CCC3 1857577738 JYKIVYDYXAHRRV-UHFFFAOYSA-N 384.443 2.898 0 1 GFAF COc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1 1857616064 NBUAVJSFZXZRLL-UHFFFAOYSA-N 393.443 2.798 0 1 GFAF CCCCN=c1[nH]c(=N)[nH]c2cccc(OCc3ccc(CO)cc3OC)c12 1857753465 JKOASNLADJSLBV-UHFFFAOYSA-N 382.464 2.756 0 1 GFAF CCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 103108541 QUDLZXRYDTUMMH-JYTXLUNMSA-N 385.460 2.882 0 1 GFAF CNC(=O)/C=C1/COc2c1ccc(OS(=O)(=O)c1cccc(Cl)c1)c2C 101662734 QUPGVLWRENCHPD-WQLSENKSSA-N 393.848 2.938 0 1 GFAF CO[C@@H]1OC(=O)[C@H](c2ccc(O)cc2)[C@@H]1Cc1ccc2c(c1)C[C@H](C(C)(C)O)O2 2356713263 CQGQUEUOOGWKAW-RJJVWVDVSA-N 398.455 2.938 0 1 GFAF COc1ccc(CNc2nc(N3CC[C@@H](O)C3)nc3c2ncn3C(C)C)cc1 26643864 RPSNOLXNJKIIBZ-OAHLLOKOSA-N 382.468 2.599 0 1 GFAF CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2cnc(N3CCNCC3)cn2)n1 64539032 CBXUCIVRWLMEBP-UHFFFAOYSA-N 399.890 2.587 0 1 GFAF CC[C@@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccccc2F)n1 82152239 DILONIFSYOCLET-CQSZACIVSA-N 399.470 2.797 0 1 GFAF O=c1[nH]c2ccc(N3CCC[C@@H]3CO)nc2nc1CSCc1ccccc1 82231416 WYBPCGKJWSVUNQ-OAHLLOKOSA-N 382.489 2.713 0 1 GFAF CC[C@@H](C)C(=O)OC(C)(C)[C@@H]1O[C@@H]2C=Cc3ccc(=O)oc3[C@@H]2[C@H]1OC(C)=O 238744814 RGWXVYCMAYKPRS-YESNPLEBSA-N 390.432 2.817 0 1 GFAF CCCCCNC(=O)[C@@H]1C(=O)Nc2ccccc2C(=O)N1c1ccc(OC)cc1 95599887 XTXNBAALPSUFTA-LJQANCHMSA-N 395.459 2.969 0 3 GFAF COc1ccc(-c2cc(-c3ccc(S(=O)(=O)NC4CC4)cc3)cnc2N)cn1 95575796 DCOOJMBFLSZUEL-UHFFFAOYSA-N 396.472 2.842 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]1CNC(=O)C1CC1 95895033 DZMKJVSMHVDZJH-YPAWHYETSA-N 396.462 2.694 0 1 GFAF COC(=O)N1c2ccc(OC)cc2[C@]23CCN4CC=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3 238743617 WIRDHJSGFBXCLT-JJCGOBCMSA-N 396.443 2.587 0 1 GFAF CCN1CCC(Oc2ncccc2-c2nc(Cc3c(C)nn(C)c3C)no2)CC1 653759974 VGCLEAKZDSHWCT-UHFFFAOYSA-N 396.495 2.936 0 1 GFAF NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(Cl)cc3[nH]2)c1 586930762 XQTOIWFSNNURDY-UHFFFAOYSA-N 375.635 2.621 0 1 GFAF Nc1ccn2c1[C@]1(CNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332388 ACOWEDXPQXHPBL-GHTZIAJQSA-N 379.391 2.730 0 1 GFAF COc1cncc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587187041 AZZKCQJTROEZNP-UHFFFAOYSA-N 391.172 2.886 0 1 GFAF COc1cc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 587143377 FCJMMJKKGJHZTI-UHFFFAOYSA-N 379.351 2.897 0 1 GFAF CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650653 PXXSZKBNBZNGAD-UHFFFAOYSA-N 386.429 2.740 0 1 GFAF O=C(O)c1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587112080 HYFWSNZEKAIGGE-UHFFFAOYSA-N 388.309 2.982 0 1 GFAF COC(=O)c1cc2[nH]c([C@@]3(N)CCc4cc(OC)ccc4C3)nc2cc1OC 587246465 GNOCMJDLLQBPAE-OAQYLSRUSA-N 381.432 2.710 0 1 GFAF O=S(=O)(c1ccc2nc(CCc3ccccc3F)[nH]c2c1)N1CCOCC1 587148675 DCQRDTNUCDRBGF-UHFFFAOYSA-N 389.452 2.508 0 1 GFAF COc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2N)cc1 958054848 MRWBFYZSJZIYRB-UHFFFAOYSA-N 375.475 2.772 0 1 GFAF CCN1C=C(C(=O)O)[C@@]2(NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962934207 VYZZWMPOWXIZCX-HSZRJFAPSA-N 391.471 2.586 0 1 GFAF CCOC(=O)[C@@]1([C@H]2CCC(C)(C)CC2=O)NCCc2c1c(C(C)C)nn2C 962916958 XZBJAGLZZUWLAP-QKKBWIMNSA-N 375.513 2.843 0 1 GFAF CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962906608 HHAINQMKHLPSGX-RZQQEMMASA-N 396.434 2.989 0 1 GFAF CC[C@@H](C)CC(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 12195421 LLTKHVNWFVOTAA-OPAMFIHVSA-N 385.508 2.872 0 1 GFAF Nc1nnc(-c2ccc3[nH]cc(-c4nccc(N5CCOCC5)n4)c3c2)s1 204761108 RMTAUHCHXYNQOT-UHFFFAOYSA-N 379.449 2.562 0 1 GFAF COc1ccc(-c2cc(C(N)=O)nc3cc(CN4CCOCC4)sc23)cc1 1857575726 VAGJZHYRXRYBBV-UHFFFAOYSA-N 383.473 2.903 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2CC[C@H]1[C@]3(C)CC[C@@H](O)[C@@]1(C)CO 2356326055 UDOUCXFBZBBUEB-OWLUANBVSA-N 378.509 2.577 0 1 GFAF CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 103257086 FRDIHQHLDNCXGU-SFHVURJKSA-N 377.444 2.562 0 1 GFAF CCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(OC(C)C)cc1)C2 101283331 HOUXHTDZMAEMTQ-QGTPRVQTSA-N 380.510 2.863 0 1 GFAF CCc1ccc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)nc1 117498660 YERYLVIVSXKONQ-IBGZPJMESA-N 392.381 2.883 0 1 GFAF CCC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27312263 BCVLCSWDAXCGNM-AAEUAGOBSA-N 379.457 2.839 0 1 GFAF O=C([C@@H]1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNCC1 1911578747 HOYXFXCLPCBVPO-KRWDZBQOSA-N 382.851 2.619 0 1 GFAF Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(-n2cccn2)cc1 84688250 CKUSCWLPGIBNJZ-HNNXBMFYSA-N 396.476 2.786 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587236098 ZFSXDIASSQPZSK-CHWSQXEVSA-N 394.497 2.761 0 1 GFAF COc1cc2c3c(c1)O[C@@](CSc1nc(O)cc(O)n1)(C1CC1)[C@@H](C2)C3=O 587453438 SLXYIUTVXLYZGP-BUXKBTBVSA-N 386.429 2.585 0 1 GFAF O=S(=O)(N[C@H](c1ccccc1)c1nc2ncc[nH]c-2n1)c1ccc(F)cc1 587171147 KNPOYSLKPLVODZ-OAHLLOKOSA-N 383.408 2.512 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(C)nccc2[nH]1 586945032 BQBWCJNGQJKAQQ-CQSZACIVSA-N 386.477 2.699 0 1 GFAF CC[C@]1([C@H](C)C(=O)OC)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623540 BPVXKSZXASHUJA-SEFYAATASA-N 375.343 2.599 0 1 GFAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CCOC3)c2)CC1 1772638885 DXTJGXRZOUQCAQ-SFHVURJKSA-N 387.524 2.788 0 1 GFAF CC(C)NC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5835026 RILZGKZVARWTMN-ZDUSSCGKSA-N 387.455 2.998 0 1 GFAF COc1cccc(CN2C[C@H](C(=O)NCCCCc3ccccn3)CCC2=O)c1 12304855 DJWPSJLKMBVVCO-LJQANCHMSA-N 395.503 2.968 0 3 GFAF CN(C)CCCCNC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166679914 JVQBSMUVYJNDLD-UHFFFAOYSA-N 381.480 2.701 0 1 GFAF COc1ccc2c(-c3ccnc(N[C@H]4CC[C@H](O)CC4)n3)c(C3CC3)nn2n1 1857569049 VVRVHWYSWLLDBR-HDJSIYSDSA-N 380.452 2.788 0 1 GFAF NCc1cc(OCc2cccc(C(=O)NCc3nc4ccccc4o3)c2)ncn1 1857590970 NRUPPONSCHRASF-UHFFFAOYSA-N 389.415 2.586 0 1 GFAF CC(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@@]1(C)O 1198494 XJTOZJAEUQGOBW-BMQTXXJKSA-N 394.439 2.769 0 1 GFAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@@]4(O)CO 2356415653 RPLIDLJMEABHAT-YZWRWILZSA-N 380.525 2.657 0 1 GFAF CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(N)=O)ccc1O2 2492618 CZMBFDHNYJCBIU-FQEVSTJZSA-N 393.487 2.780 0 1 GFAF O=S(=O)(CC[C@@H](O)[C@H]1CC[C@H](COCc2ccccc2)O1)c1ccccc1 25972016 SCVMJGQGMMTLCX-HMXCVIKNSA-N 390.501 2.976 0 1 GFAF CCOc1cccc(C2(N3CCN(c4ncncn4)CC3)[C@H]3CC(C)C[C@@H]32)c1 101685151 ANPFSBYUHWCSQO-IABZKBCVSA-N 379.508 2.964 0 1 GFAF C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc(F)cnc2n1)c1ncc(F)cn1 103260254 HWMRIZDUVJSJGB-VIFPVBQESA-N 383.366 2.743 0 1 GFAF OC[C@H](O)CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28011520 GCSNYHBLOFJHDQ-KAGYGMCKSA-N 388.458 2.512 0 1 GFAF Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1 28950616 ZKWWEOIHGRQYDB-UHFFFAOYSA-N 395.448 2.796 0 1 GFAF CCCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)OC)cc1 33613944 CSTHWOKSJUJRPW-LJQANCHMSA-N 391.489 2.928 0 1 GFAF CCOC(=O)CCc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231677 SFBIYFXNTMTPKB-PBHICJAKSA-N 384.480 2.973 0 1 GFAF COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 95566003 BPBCIZXGJQIHRC-CQSZACIVSA-N 375.421 2.521 0 1 GFAF N[C@H](Cc1ccc(I)cc1)c1nc2ccc(CO)cc2[nH]1 587183924 LMNJUPQXSNQGJT-CYBMUJFWSA-N 393.228 2.902 0 1 GFAF CC(=O)N[C@@H](Cc1nc2cc(N)c(N)cc2[nH]1)c1ccc(Br)cc1 586985131 KLOGLXMXNIGZBY-AWEZNQCLSA-N 388.269 2.910 0 1 GFAF CN=c1nc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]s1 587619144 QVLQUDGRRFGHIW-HNAYVOBHSA-N 383.429 2.670 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](c1nc3ccccc3[nH]1)S(C)(=O)=O)O2 587410207 WCRDKNMCOBBOQS-AEFFLSMTSA-N 385.445 2.573 0 1 GFAF COC(=O)/C(=C/N(C)C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587756267 QPKALWZLZIGICN-KTGZFIFYSA-N 385.277 2.956 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)O)O2 587393151 GIFZJHIPYGFZLF-VGOFRKELSA-N 380.444 2.888 0 1 GFAF C[C@@]1(n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CCS(=O)(=O)C1 587658217 LROFMFSOCOHYGV-LJQANCHMSA-N 390.411 2.875 0 1 GFAF COC(=O)c1cc(Br)c2[nH]c([C@H](O)c3cccc(O)c3)nc2c1 586888808 CYBFOXKCCVHPQM-CQSZACIVSA-N 377.194 2.899 0 1 GFAF COC1=COC(C(=O)O)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587618950 VPLVYDGZGHXNOY-OXQOHEQNSA-N 382.324 2.579 0 1 GFAF COc1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2n1 586939254 ZSLQJZDLESUXEX-AWEZNQCLSA-N 392.506 2.739 0 1 GFAF CCOC(=O)[C@@]1([C@@H]2CCC(C)(C)CC2=O)NCCc2c1c(C(C)C)nn2C 962916962 XZBJAGLZZUWLAP-SZNDQCEHSA-N 375.513 2.843 0 1 GFAF CCOC(=O)[C@H](Cc1ccccc1)[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963526257 NZOGDPAAXFGYKS-HBFSDRIKSA-N 383.444 2.763 0 1 GFAF Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccccc1Br 1772623623 KOHNERARXNBCKZ-UHFFFAOYSA-N 388.269 2.782 0 1 GFAF Cc1cccc(C2CN([C@H](C)c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)n1 1772655701 ZMJGKMRHKFVVGS-CQSZACIVSA-N 394.479 2.747 0 1 GFAF CC1=C(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)OCCO1 13596088 UFVJSNHEMNWIOU-INIZCTEOSA-N 390.455 2.739 0 3 GFAF Nc1nn(CCOCCO)c2nnc(-c3ccccc3)c(-c3ccccc3)c12 13674805 BDFQAJUORUKIRF-UHFFFAOYSA-N 375.432 2.751 0 1 GFAF CC(=O)N[C@H](Cc1ccc2[nH]c(N)nc2c1)C(=O)c1nc2ccccc2s1 14955369 IFINCNCFBNELQY-OAHLLOKOSA-N 379.445 2.685 0 1 GFAF O=C(c1nc2ccccc2[nH]1)N1CC(Oc2ncccc2[C@H]2CC[C@H](O)CC2)C1 146326686 QTHUPAWFDLKDHX-GASCZTMLSA-N 392.459 2.880 0 1 GFAF COc1cc2ncc(-c3ccccc3C(N)=O)n2cc1S(=O)(=O)C(C)(C)C 1857630589 PVGRZCXTMIDYDK-UHFFFAOYSA-N 387.461 2.681 0 1 GFAF Cc1ccc(N[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]2c2ccccc2)cc1 225875907 FKLXITNLZHSNFA-UXHICEINSA-N 396.516 2.997 0 1 GFAF Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNCc3ccc4c(c3)OCO4)cc1-2 103945292 SYOIWODYRAYMLH-UHFFFAOYSA-N 388.427 2.992 0 3 GFAF C[C@H]1CCCN(C(=O)c2ccc(C/N=c3/c(N4CCCCC4)c(O)c3=O)cc2)C1 101636572 CDDLHINDYCJWLH-WGCOJADFSA-N 395.503 2.591 0 1 GFAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O)c1ccncc1 2356302565 ZENKZFSDFRRVRC-SBHAEUEKSA-N 393.443 2.618 0 1 GFAF Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(COCc3ccccc3)cnc21 27657991 ITFKVCGWSXOCLD-UHFFFAOYSA-N 387.439 2.860 0 1 GFAF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cccc(F)c2)CC1 28770862 XYPRKLHPKBHNCI-UHFFFAOYSA-N 399.397 2.719 0 1 GFAF COc1ccc([C@H]2Oc3c4c(cc(O)c3C(=O)[C@H]2O)OC(C)(C)C=C4)cc1O 2356754508 KAJUHLFVBDUNFT-RTBURBONSA-N 384.384 2.968 0 1 GFAF CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1NC1CCN(C)CC1 73221706 FPBCOFYFVBCSPA-UHFFFAOYSA-N 394.859 2.662 0 1 GFAF CCCC(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)O[C@H](C(C)(C)O)C2 13429613 KJESFZJNOLYRHM-JSGCOSHPSA-N 390.432 2.999 0 1 GFAF biogenic COc1ccc(CCNC[C@@H](O)COc2ccc3c(c2)CCCN3)cc1OC 40861414 APXBKQSWPZDMQL-GOSISDBHSA-N 386.492 2.634 0 1 GFAF CCCCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085284 CIJZIYGTRGVNEV-HNNXBMFYSA-N 385.420 2.591 0 1 GFAF CCCC[C@]1(CO)C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)[C@@H]1O 195150160 FUENFDZJVVFQJQ-QWMJFVRESA-N 387.520 2.504 0 1 GFAF CC(C)[C@H]1COCn2nncc2CC[C@H](Cc2ccc(Cl)cc2)C(=O)N1 95661022 OPPXWTKBHLLPNM-CRAIPNDOSA-N 376.888 2.852 0 1 GFAF NC(=O)c1cnc(C(=O)Nc2ccc(CCC(=O)O)cc2C2=CCCCC2)[nH]1 146892027 LUXRWROAGMQUNW-UHFFFAOYSA-N 382.420 2.736 0 1 GFAF COc1cccc(OC)c1[C@@H](C)NS(=O)(=O)NC(=O)OCc1ccccc1 473129023 DSRVEVDNVDPNPP-CYBMUJFWSA-N 394.449 2.526 0 1 GFAF Cc1cc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c(C)n1 586947326 WCCDBDLTIHSIHM-OAHLLOKOSA-N 386.477 2.699 0 1 GFAF N=C(N)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587019228 IHUZVIKHKSZLMV-UHFFFAOYSA-N 392.444 2.852 0 1 GFAF COC(=O)c1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cn1 587150207 QMHWYVFRGAJFFS-NSHDSACASA-N 386.358 2.539 0 1 GFAF O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(Cc3cccs3)CC2)CC1 12474973 FAGAIURTUMXFGC-IBGZPJMESA-N 391.581 2.720 0 3 GFAF CCN(C(=O)[C@H]1CCC=C1C(=O)NCc1ccc(C(=N)N)cc1)c1ccccc1 13493951 TYBOHAPHMIGLFE-FQEVSTJZSA-N 390.487 2.976 0 1 GFAF COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@H]2OC)cc1OC 14436136 PGNQWVRBASDKDK-MBOZVWFJSA-N 376.405 2.903 0 1 GFAF Cn1cc([C@H]2NC(=O)N[C@H](c3ccc(C(=O)O)c(O)c3)[C@@H]2c2ccsc2)cn1 169688236 KQQKKFDAXNYXTL-GVDBMIGSSA-N 398.444 2.764 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1)N1Cc2ccncc2C1 167857500 XLDPBSVADZSUQK-MJGOQNOKSA-N 392.459 2.738 0 1 GFAF CCn1nnc2c1CC[C@@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857751493 WCCANVKKUIIMMK-OAHLLOKOSA-N 391.454 2.847 0 1 GFAF CN1CCN(c2ncnc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc23)CC1 4265373 NOHUDVOAOMQOQM-UHFFFAOYSA-N 375.476 2.750 0 1 GFAF COc1ccccc1CNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C 4787775 OWGLIKXTRGOGIF-UHFFFAOYSA-N 375.428 2.969 0 1 GFAF CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CN2CCCCC2)on1 12482427 JLWPATFPJXHSSV-ROUUACIJSA-N 376.545 2.687 0 1 GFAF biogenic CN1C(=O)N2C(=NC[C@H]2CN2CCN(c3ccccc3)CC2)c2ccccc21 13832340 DDBDQJLGWORGPW-SFHVURJKSA-N 375.476 2.509 0 1 GFAF CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)OCCCO[N+](=O)[O-])O2 28876930 PYFDZJNQEWPKNB-IBGZPJMESA-N 395.408 2.762 0 1 GFAF CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2 82209814 WXDIPORFCLPXJO-SFHVURJKSA-N 391.475 2.536 0 1 GFAF C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(CC3CCCCC3)c(=O)n21 82211044 UFFWSYYNWWCOSK-AWEZNQCLSA-N 384.480 2.895 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CNC(C)=O 95895053 VHZPWRJIRZNYCG-VWPQPMDRSA-N 384.451 2.694 0 1 GFAF COC(=O)[C@H](NCC(=O)c1cc(Br)c(Br)[nH]1)C(C)C 96909834 YJESAUWGYVUYQS-SNVBAGLBSA-N 396.079 2.510 0 1 GFAF CO[C@H]1[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C/SC)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@]12O3 100774361 ULNGGZOBSDELFB-FEADEPORSA-N 396.505 2.904 0 1 GFAF endogenous,in-man CCCCNC(=S)SC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 103264661 UXRVUBGJJWCPHZ-INIZCTEOSA-N 386.493 2.852 0 1 GFAF CNC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N 219622676 SITWLMHTJSBMSX-UHFFFAOYSA-N 393.472 2.701 0 1 GFAF CC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)nc1 223512071 AUSHZVFWOJCVHQ-UHFFFAOYSA-N 386.496 2.560 0 1 GFAF O=C(O)C[C@@H](O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586887934 GXPFDGIURJLDCG-YFKPBYRVSA-N 383.120 2.602 0 1 GFAF NS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587608462 QVAVPJAOLFCXHP-FXAWDEMLSA-N 397.408 2.743 0 1 GFAF COC(=O)C[C@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587762189 DQLCLFNMFQNHKY-BMLIUANNSA-N 396.260 2.663 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@@]1(C)CCS(=O)(=O)C1 587869477 KOGLZJVBFVNTFZ-AWEZNQCLSA-N 375.372 2.506 0 1 GFAF COc1ccccc1C(=O)Nc1cc2c(cc1C1=CCNCC1)n(C)c(=O)n2C 653823161 PQCLUCQXGZDSTH-UHFFFAOYSA-N 392.459 2.515 0 1 GFAF COc1ccc2c(c1OC)[C@H](c1cc(C)n(-n3cnnc3)c1C)N(C)[C@H](C)C2 962638655 XENKPIAHMVVZCE-XCLFUZPHSA-N 381.480 2.991 0 1 GFAF COc1ccc([C@]2(CC3OCCO3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963038591 WMFLOSQBZCILOR-CMJOXMDJSA-N 394.471 2.755 0 1 GFAF CCOC(=O)C[C@@]1(c2ccc(C)o2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219200 DCQSCIUYRGTXGA-XMSQKQJNSA-N 394.427 2.932 0 1 GFAF N=c1nc(-c2cc(Cl)ccc2CO)[nH]c(=NCCCCc2ccccc2)[nH]1 1857553262 BEDJMKDZWNWVHN-UHFFFAOYSA-N 383.883 2.954 0 1 GFAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1nsc2ccccc12 1857561591 OORVHTBPNPKNTD-CQSZACIVSA-N 393.468 2.852 0 1 GFAF Cc1cc(=O)oc2cc(OCCSC(=S)N3CCN(C)CC3)ccc12 1857635001 HUASUTPBEQYDBT-UHFFFAOYSA-N 378.519 2.746 0 1 GFAF Cc1ccc(S(=O)(=O)NC(=O)[C@@H](O)c2c3c(cc4c2CCC4)CCC3)cc1 1911579966 QBHLKOAXKDLPNW-FQEVSTJZSA-N 385.485 2.511 0 1 GFAF O=C(O)c1ccc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@@H]3C2)cc1 2356299682 LXXHNSREYBSANX-IBGZPJMESA-N 383.423 2.646 0 1 GFAF CCOC1=C(c2ccc(O)cc2)[C@@](Cc2ccc(O)cc2)(C(=O)OC)OC1=O 2356717970 ZKPLXHLJGTUBJR-NRFANRHFSA-N 384.384 2.557 0 1 GFAF Cc1cccc(C)c1NC(=O)[C@H](c1ccncc1)N1CCN(CCN(C)C)CC1 199245573 RLUAXZNXIOLWCU-QFIPXVFZSA-N 395.551 2.557 0 3 GFAF Cc1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 6818034 YHSWHLGMWMGLDR-LLVKDONJSA-N 380.495 2.581 0 1 GFAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1[C@@H](C)CCC[C@H]1C)C2 101505669 WJZPRHGNRRYURO-PECIQYQJSA-N 380.533 2.700 0 1 GFAF COc1ccc([C@@]23OC[C@H](Cc4cc(OC)c(OC)cc42)[C@@H]3CO)cc1OC 102961625 CIQMFHJWBNOVQL-ICSGCJEQSA-N 386.444 2.776 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 2356655220 BMPRGPGLZWJNOP-QGBSIWJGSA-N 378.465 2.897 0 1 GFAF COC(=O)[C@H]1O[C@H]2C[C@]1(C)[C@@H](CCCO)[C@]1(C)C[C@@H](c3ccoc3)OC(=O)[C@H]21 38231529 OZFCLAKIBWLJPK-OCWMMRLVSA-N 392.448 2.629 0 1 GFAF O=C(O)CCCCCN1CCN(c2ncnc3[nH]c4ccc(O)cc4c23)CC1 221380041 DKBVNUUNWCDWCT-UHFFFAOYSA-N 383.452 2.584 0 1 GFAF NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1 84405605 WPDHASUWSYKMLT-UHFFFAOYSA-N 383.883 2.830 0 1 GFAF COc1cc2cc[n+]3c(c2cc1OC)[C@@](C)(O)c1ccc(OC)c(OC)c1C3 1911573235 JJMIHADXEBJJTB-QFIPXVFZSA-N 382.436 2.779 0 1 GFAF C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c(=O)n(C)c(NC5(C)CC5)nc34)[nH]c21 222358228 OLFGXMCJTMYBMY-SECBINFHSA-N 381.411 2.837 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3ccccn3)[C@H]2CNC(=O)CC)cc1 95570104 JQIVQIXEWIJDCO-VXEHQLPOSA-N 379.504 2.970 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)C12CN(C(=O)C1CC1)C2 95794570 LNSNZMRCRLNWNI-RTWAWAEBSA-N 380.488 2.552 0 1 GFAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCC[C@@H]1C1CCCCC1 618014957 PGDIXKOLJRMQDQ-RWCSOYMTSA-N 384.524 2.766 0 1 GFAF CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2nc(Cl)cnc2N)cc1 473153680 CFFFNXQFTXBUDN-UHFFFAOYSA-N 391.859 2.918 0 1 GFAF CS(=O)(=O)c1ccc(NC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587654059 HCPPHPFYXVLJOT-UHFFFAOYSA-N 377.809 2.534 0 1 GFAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(N)ncnc4[nH]3)c2)cc1 586930221 APQISQCHALIJBC-UHFFFAOYSA-N 394.460 2.736 0 1 GFAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586931821 LGMSNPBTVOMLSO-UHFFFAOYSA-N 385.367 2.810 0 1 GFAF N=c1nc(O)c2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2[nH]1 587024475 ANUIUMXVAKOZHS-AGIUHOORSA-N 398.492 2.607 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c(C(=O)N3CCC[C@H](CO)C3)c1)O2 587396350 JMMXSCXRDWHBMR-RCDICMHDSA-N 397.475 2.630 0 1 GFAF Nc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cnn1-c1ccc(F)cc1 587651508 KYPNBQUFZDSVQG-UHFFFAOYSA-N 383.770 2.645 0 1 GFAF COc1ccc2c(c1OC)[C@](Cc1nc(N)n[nH]1)(c1ccccc1)N(C)[C@@H](C)C2 962576135 WNAAEVVHIJLICD-FPTDNZKUSA-N 393.491 2.767 0 1 GFAF COC[C@@H](C)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 12479869 QQGITOMXCVDLFQ-QGZVFWFLSA-N 386.496 2.963 0 3 GFAF CC(=O)c1ccc(OCc2cc(C(=O)NCCn3nc(C)cc3C)no2)cc1 12745492 NADYBPJMJKZGJW-UHFFFAOYSA-N 382.420 2.700 0 3 GFAF C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 13386261 RRLBJDXMEHIJNG-AVVHFEGISA-N 392.835 2.605 0 1 GFAF biogenic CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)CC1 13561115 QZEPCMOLJKXOMT-UHFFFAOYSA-N 376.497 3.000 0 1 GFAF CCOC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169302185 NKVDDHHSNMJOSL-GBPOLFSSSA-N 392.455 2.767 0 1 GFAF COC(=O)[C@@H]1[C@H]2C[C@@H]3c4[nH]c5cccc(OC)c5c4CCN3C[C@H]2CC[C@H]1O 203556890 WMMZYEBFJWWUJX-CSENRNQMSA-N 384.476 2.656 0 1 GFAF CS(=O)(=O)c1n[nH]c(-c2cc(-c3ccc(F)cc3F)n(C3CCC3)n2)n1 1857750639 ORZAUNVPXYBIRZ-UHFFFAOYSA-N 379.392 2.742 0 1 GFAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(N(C)C)cc2)CC1 2356286356 NDKUVWQXAFUQAK-QZNHQXDQSA-N 398.595 2.925 0 1 GFAF CC1(C)Oc2ccc(-c3nc4ncccc4[nH]3)cc2[C@@H](N2CCCC2=O)[C@@H]1O 27558001 XGNABNAIXIEDRG-MSOLQXFVSA-N 378.432 2.820 0 1 GFAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)CC1 68204274 UVZFOQOOVKBQPL-YADHBBJMSA-N 397.494 2.624 0 1 GFAF CN(C)[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 2356495305 OELGKSSJJXGXLW-MLHJIOFPSA-N 395.425 2.624 0 1 GFAF Cn1ccnc1CN1CC[C@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356726035 QFWLLFMMQVVXQV-FUDKSRODSA-N 396.535 2.793 0 1 GFAF COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NCCO 36384255 RSOCMNSDKGKYGZ-PKOBYXMFSA-N 380.444 2.705 0 3 GFAF CN(C)CCCOc1c(Br)cc([C@H](O)CN)cc1Br 14594689 ZGSSHJZNVVQNAE-GFCCVEGCSA-N 396.123 2.534 0 1 GFAF biogenic COC(=O)[C@]12CC[C@H]3CN(C(=O)OCc4ccccc4)[C@H]([C@H]31)[C@H](c1ccco1)N2 73402936 LHVMCQHRZMYHPI-FSWZZPBRSA-N 396.443 2.883 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]1CNC(=O)C1CC1 95895079 BLSCEVGOPDFIED-YPAWHYETSA-N 396.462 2.694 0 1 GFAF CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@@H](C1)[C@H]2NS(C)(=O)=O 141485515 IIGBHFJNVWQBMB-PCJJGOFDSA-N 377.897 2.994 0 1 GFAF Cc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C)O3)cc1 95710895 FPYFRAAYXDWLDR-FVJLSDCUSA-N 397.519 2.839 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)N1 587789074 BQQHOLALLUAFJU-XRFBTCTNSA-N 395.316 2.935 0 1 GFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 586941425 STGRMANMWCZASI-RMKNXTFCSA-N 385.445 2.733 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN[C@H](C(=O)O)[C@@H]3C2)N1 587797269 RNDIXZSEJOLELO-MBPYNVJDSA-N 397.288 2.790 0 1 GFAF CC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587830459 FHIQTDFARZQEGK-JXNTTYISSA-N 382.229 2.984 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(CC(=O)OC(C)C)c1C)[C@@H](C2)C3=O 587429923 BYTQFYGNHAUZGY-YCRPNKLZSA-N 384.432 2.949 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@H](C(=O)O)[C@@H]1C3 586989983 TVKONIGIOJYEPE-HWBVIDEXSA-N 386.407 2.539 0 1 GFAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)ccc1OC(=O)C1CC1 963508754 MFTROMNEJURVQV-YWZLYKJASA-N 397.427 2.713 0 1 GFAF CCC(CC)(NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1)C(=O)O 150148517 AYMLHRWXLOHRLD-UHFFFAOYSA-N 375.469 2.844 0 1 GFAF Cc1nc(-c2cnn(C)c2-c2ncc(Cl)cc2F)c2c(N3CCC3)ncnn12 169697317 WNHLNDDFXPFPSH-UHFFFAOYSA-N 398.833 2.898 0 1 GFAF COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c(OC)c1 773132 TVCDOYUDGDPEJK-FPOVZHCZSA-N 397.475 2.950 0 1 GFAF COC(=O)c1cnc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)s1 28902272 MFUFGIWZXLEILE-QMMMGPOBSA-N 384.417 2.510 0 1 GFAF CCN(CCOc1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 27184123 KSSXQYQYZBUPPF-GOSISDBHSA-N 382.460 2.669 0 1 GFAF CC(=O)O[C@@H]1CC(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1 27709269 WTYIECVUBNDTIX-MISYRCLQSA-N 396.395 2.732 0 1 GFAF Cc1cccc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1 115730590 AGPKDTOVGUTSRB-UHFFFAOYSA-N 379.420 2.813 0 1 GFAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F 113490303 NTJWGAMUBSMNEW-UHFFFAOYSA-N 394.403 2.927 0 1 GFAF COc1ccc(CNc2nc(N3CCC[C@H]3CO)nc3c2ncn3C(C)C)cc1 27405871 KTBJYVKCWKFJRD-INIZCTEOSA-N 396.495 2.989 0 1 GFAF C[C@@H]([C@H](O)c1ccc2c(c1)CNC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 28952083 LIIMZDKZANZWFU-XOBRGWDASA-N 399.466 2.866 0 1 GFAF COc1cc(=O)oc(C=CC=CC=CC=C[C@]2(C)O[C@H](C)[C@@](C)(O)[C@H]2O)c1C 2356536777 BXUGQFINZUXAKN-YPVJZLTNSA-N 388.460 2.928 0 1 GFAF COc1c(O)ccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3 28954056 NGVIJPSZRGAUGY-AGILITTLSA-N 390.483 2.910 0 1 GFAF FC(F)(F)Oc1ccc(Nc2ccc(NCCN3CCOCC3)nn2)cc1 64528165 SQNJWSYADODDSY-UHFFFAOYSA-N 383.374 2.863 0 1 GFAF CCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O 38298882 CTVYBDZFLIPCGP-UHFFFAOYSA-N 378.432 2.539 0 1 GFAF O=S1(=O)N(CC[C@H]2CNCCO2)c2cc(F)ccc2N1c1ccccc1F 72120642 VOAKSCZKUWRXKS-AWEZNQCLSA-N 395.431 2.546 0 1 GFAF CC(C)(C)OC(=O)N1CCC[C@@H](OC[C@H](O)CN2CCc3ccccc3C2)C1 219751621 FUBQOXCXAVTJNG-WOJBJXKFSA-N 390.524 2.822 0 1 GFAF C[C@@H](CS(=O)(=O)Nc1ccccc1S(N)(=O)=O)c1ccc(Cl)cc1 148637419 SVCVCZULARUJMJ-NSHDSACASA-N 388.898 2.533 0 1 GFAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)CN)cc12 653720587 WKWPWYCQMSTPOB-KRWDZBQOSA-N 382.460 2.873 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1c(OC)c(OC)nc(OC)c1OC)[C@@H](C2)C3=O 587435132 DABMAAOTXIRVKM-ZBEGNZNMSA-N 387.388 2.613 0 1 GFAF CCCCC[C@@]1(CC(=O)N[C@H]2CCOC2=O)CC(=O)c2cc(C)cc(N)c2O1 587387345 PFIFFTANBUMDBP-KKSFZXQISA-N 388.464 2.683 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)o1 586931151 MNRQUKRUMCMVPG-UHFFFAOYSA-N 375.328 2.972 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2S(C)(=O)=O)N1 587838982 FKOQGOVXWRPABN-PSLIRLAXSA-N 387.274 2.821 0 1 GFAF CC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587830796 FTEHBYWLCOMPPP-CPQOQLRJSA-N 382.229 2.984 0 1 GFAF COc1cc2c3c(c1)O[C@](Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587425321 BRIKZEHPMWXFES-MGPUTAFESA-N 383.354 2.908 0 1 GFAF CCOC(=O)CCCCC[C@]1(C(=O)OCC)NCCc2c(C(=O)O)cccc21 963131812 OPLSREKFPQFEPJ-NRFANRHFSA-N 391.464 2.803 0 1 GFAF CNc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1 12405862 IKLSILSIWVEUSQ-UHFFFAOYSA-N 394.220 2.622 0 1 GFAF CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O 13583406 OGUGPIPQYDYEFE-IAGOWNOFSA-N 383.533 2.622 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 14782101 BMPRGPGLZWJNOP-XTAHRFFHSA-N 378.465 2.897 0 1 GFAF endogenous,in-man COc1cc2c(c3oc(=O)ccc13)[C@H](O)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 15263503 KULKFALUVSLOHX-PKOBYXMFSA-N 376.405 2.964 0 1 GFAF endogenous,in-man CC(=O)O[C@H]1C[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@H]2C[C@@H](O)C[C@]3(CO3)[C@]12C 169667712 XQZXGCYFESACPZ-DNKCWYIRSA-N 392.492 2.774 0 1 GFAF NC(=O)c1ncc(N[C@H]2CC[C@H](N)CC2)c2nc(-c3ccc(Cl)cc3)cn12 101677352 DJXPMLBJIXXVFI-OKILXGFUSA-N 384.871 2.830 0 1 GFAF C[C@H](c1ccc(O)cc1)[C@@H](CS)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 58482460 GBDLVTPTPMZHQV-NXOUGTEYSA-N 389.473 2.559 0 1 GFAF COc1ccc([C@@H]2O[C@H](O)[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]32)cc1OC 2356475171 RFMVVAAYBGTQPS-QNZPNERBSA-N 386.400 2.826 0 1 GFAF CC(C)(O)[C@@H]1CC[C@H]2[C@@H]1[C@@H](O)C[C@H]1[C@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@H]4[C@H]3CC[C@H]12 2356611053 HQSCGCHTEXSADB-ZGKNVNAXSA-N 392.580 2.965 0 1 GFAF COc1ccc(C(=O)[C@@H]2c3cc4c(cc3CCN2C)OCO4)c(C(=O)O)c1OC 14919467 GJRNGHJRNCNOTD-SFHVURJKSA-N 399.399 2.543 0 1 GFAF biogenic CC[C@@H](C)CN1C(=O)CSC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 199231424 RPKQBIUBFDVKBM-BFUOFWGJSA-N 378.494 2.777 0 3 GFAF CC1(C)c2[nH]c3cc(Cl)ccc3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@@H]13 40394096 FVUWYWRUTUPOIL-JHVJFLLYSA-N 383.879 2.905 0 1 GFAF CCc1nn(-c2ccccc2)c2nc(C3CCN([C@@H]4CCNC4)CC3)nc(O)c12 147361478 LKFFLHOESDJYRB-QGZVFWFLSA-N 392.507 2.625 0 1 GFAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3C)cc1)[C@@H](CO)N2C(C)=O 95668382 IQYKJSFBOZGNLR-FYYLOGMGSA-N 392.499 2.960 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(CC)C(=O)c1ccccc1 95895340 XOJCLLCNPDDULP-KCZVDYSFSA-N 380.488 2.914 0 1 GFAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13OC[C@@H](C[C@@H]21)[C@](O)(C(C)C)[C@H]3O 254095686 HRQUJKIMIXCOBO-QEZIDLHRSA-N 380.525 2.919 0 3 GFAF COC(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1OC 586978785 HMODZKNLCXUJAW-UHFFFAOYSA-N 393.241 2.982 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]1CN[C@@H](C(=O)O)[C@@H]12 587591121 BHCLICLSLFASJT-CPHBWGPTSA-N 395.411 2.565 0 1 GFAF Cc1nn(C)c(C)c1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754176 DBWYEMTZDJDFMI-QPFGOUBPSA-N 396.260 2.801 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(C2CC2)N1 587848234 HPCWXKUMNVQRCF-PSLIRLAXSA-N 376.291 2.772 0 1 GFAF CC(=O)C[C@@]1(C(F)(F)Br)NC[C@H]2CC(=O)N(C)c3cccc1c32 963031653 OJTHLFGGGJBCJP-MEBBXXQBSA-N 387.224 2.902 0 1 GFAF Cc1cc(Nc2nc(C(=O)NC3CCNCC3)nc3ccc(Cl)cc23)n[nH]1 1772620100 BTHQCLQSAJRZKR-UHFFFAOYSA-N 385.859 2.540 0 1 GFAF O=C(NCCn1cccc1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166956442 KSQXAQDNWWVTBH-UHFFFAOYSA-N 375.432 2.861 0 1 GFAF CNS(=O)(=O)c1ccc(N2CCC[C@@H]2C)c(Nc2ncnc3[nH]ccc23)c1 204875748 DFKMDVKXVKOZRJ-LBPRGKRZSA-N 386.481 2.598 0 1 GFAF CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 2469318 QZHQZIQMDAHUCK-LEWJYISDSA-N 390.487 2.756 0 1 GFAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](C)CN(C)C 4049327 ZBHYHCBADIFJEA-JJXUHFIVSA-N 381.476 2.853 0 1 GFAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c1 4055225 VGJAMQQXZLGRKK-HKUYNNGSSA-N 388.851 2.939 0 1 GFAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)C1CCC1 2356286922 SQCIGRLJHPPUDW-BJLQDIEVSA-N 388.439 2.848 0 1 GFAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccc(OC)nc4)C[C@H]3F)[nH]c2c1 2356302006 JSIJNCQFHGWLKR-CRAIPNDOSA-N 386.427 2.714 0 1 GFAF O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO 68245835 GIJZJSDRDUSCSE-OLZOCXBDSA-N 384.354 2.886 0 1 GFAF Ic1ccc(CCC2(Cn3ccnc3)OCCO2)cc1 28648004 WTDMNEAQDCUYSH-UHFFFAOYSA-N 384.217 2.864 0 1 GFAF O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 28359629 IMDDOAUHJPXTRQ-UHFFFAOYSA-N 379.416 2.953 0 1 GFAF CCN(CC)CCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccn1 110663120 XEQTUEZWFDHATI-UXHICEINSA-N 393.487 2.765 0 1 GFAF CO[C@@H]1CC[C@]2(C)[C@H](OC(C)=O)C(C)(C)[C@@H]3[C@H](OC(C)=O)C[C@H](C)[C@H]1[C@]32O 2356592911 PKPLUXCTSIEECK-ICHOXIKESA-N 382.497 2.708 0 1 GFAF CC[C@@H](C)[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O 36330567 DPOYFOOAZSRFCW-GZOFFPIQSA-N 393.528 2.650 0 1 GFAF O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)C1CCCCC1 72170664 YZZQGRVCSPFTRS-GOSISDBHSA-N 379.501 2.587 0 1 GFAF CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O 34575872 GODOFGUHKFCHSR-UHFFFAOYSA-N 379.460 2.647 0 1 GFAF in-vitro O=C1C[C@@H](O)CN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1 38796310 VQHKVYFDAVBUHF-HXUWFJFHSA-N 393.487 2.925 0 1 GFAF Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(F)(F)F)cn1 45315582 MPLVLOOLHBDAKJ-LBPRGKRZSA-N 392.341 2.785 0 1 GFAF Cc1nn(CCOc2ccc(C[C@@H]3SCNC3=O)cc2)c(=O)c2ccccc12 1911573353 SGAGFPMTGHASAA-IBGZPJMESA-N 395.484 2.516 0 1 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@@H]1CCCNC1 1911574825 LOQXKJSRFQSJNX-SNVBAGLBSA-N 379.346 2.539 0 1 GFAF CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@@H](C)N2 82207018 DCADYPOVJIXGQS-LLVKDONJSA-N 398.385 2.745 0 1 GFAF Cc1ccc(Nc2nc3cc(C(N)=O)ccc3n2CCN2CCOCC2)cc1 82191452 PRNHFCGHMSRSHE-UHFFFAOYSA-N 379.464 2.519 0 1 GFAF O=C(Cc1cccs1)N[C@H]1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 25199376 LZNGPUYDVMAURF-XJKSGUPXSA-N 375.494 2.535 0 1 GFAF biogenic COC[C@@H]1CN(CCc2ccc(F)cc2)S(=O)(=O)c2c(F)cccc2O1 96021265 TUJGRBQNPIUCDZ-HNNXBMFYSA-N 383.416 2.606 0 3 GFAF COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl 95894008 SRLOYXLMZJAYMN-DYXWJJEUSA-N 386.879 2.662 0 1 GFAF O=c1[nH]c2ncc3ccc(CNC4CCOCC4)nc3c2n1Cc1ccccc1 299830107 WKACUBYWTDSGTF-UHFFFAOYSA-N 389.459 2.590 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587762513 SRHPPJHPYSEBDT-FNFWKMNBSA-N 399.304 2.833 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H](C(=O)O)NC[C@@H]3C2)N1 587789239 APKVJKVIAXPZAX-JCYYLGHZSA-N 397.288 2.790 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(CCO)cc4[nH]3)CC2)cc1 586955254 NVUZAIDEAUBCFU-UHFFFAOYSA-N 399.516 2.974 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1cn(CC(N)=O)c4ccccc14)[C@@H](C2)C3=O 587430372 HEAYGVUIXITLQP-OYHNWAKOSA-N 376.412 2.798 0 1 GFAF COC(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454685 VYBNLGRNGYCACH-SPLOXXLWSA-N 382.368 2.630 0 1 GFAF Cc1ccc(-n2ccc(=O)c(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)cc1 587654859 OSMKZQWKHCJGKI-UHFFFAOYSA-N 392.802 2.593 0 1 GFAF CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 587253718 CUYWVCDOUJXFQB-UHFFFAOYSA-N 379.445 2.893 0 1 GFAF COc1cc(OC)c(OC)cc1C[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962894047 HBKGXDYDXWNBDK-YCRPNKLZSA-N 389.423 2.908 0 1 GFAF NS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1 198825871 FXOHCTKPTOIZGK-UHFFFAOYSA-N 390.856 2.789 0 1 GFAF O=C(O[C@@H](CO)C(F)(F)F)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccn(-c2ccc(F)cc2)n1 1772615572 MEDCQBUTCWNKGW-LQKXBSAESA-N 399.344 2.716 0 1 GFAF CSC(=O)NCCCN(CCCCNC=O)C(=O)/C=C/c1ccccc1 13385727 CGBLBCRVDKYKCU-ZHACJKMWSA-N 377.510 2.517 0 1 GFAF CSc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)[C@@](C)(O)OC2=O)cc1 13488599 QSIMEXGETHTWEY-IBGZPJMESA-N 390.482 2.988 0 1 GFAF Cc1cn(CCCNC(=O)[C@@]2(C)CC2(Br)Br)cn1 169347271 MIOVETAEYCNGMJ-LLVKDONJSA-N 379.096 2.594 0 1 GFAF C[C@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 206127482 NAEKFPKUXUOFOF-LBPRGKRZSA-N 390.490 2.717 0 1 GFAF Cn1cccc1CNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166998128 CNGKXIDWCFJKHG-UHFFFAOYSA-N 375.432 2.898 0 1 GFAF CC(=O)c1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)c(=O)n2c1CCC2 203461167 GZOXURMVMMCUPP-UHFFFAOYSA-N 388.489 2.741 0 3 GFAF O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CCC2(CNC2)C1 1857631397 SBZYEXRPODOXGK-UHFFFAOYSA-N 392.434 2.501 0 1 GFAF COc1cccc(-c2ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc2)c1 143918400 CYUXFAHRLNDKQJ-QGZVFWFLSA-N 385.416 2.729 0 1 GFAF CC1CCN(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)CC1 3060391 XSWIQGFJJNCSFI-KRWDZBQOSA-N 393.553 2.553 0 3 GFAF CC(C)O[C@@H]1C=C([C@H](O)c2ccc(F)cc2)[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 28656224 WPSNIZSFJWMXIQ-HCXYKTFWSA-N 396.455 2.886 0 1 GFAF CC1(C)CC(=O)N(CCCCN2CCN(c3ncccc3Cl)CC2)C(=O)C1 27711671 VXLBZLIRRKSIMG-UHFFFAOYSA-N 392.931 2.812 0 1 GFAF O=C(O)COc1c(-c2nnn[nH]2)sc(-c2ccccc2)c1Br 28887007 AMEXJQUHIDOGOM-UHFFFAOYSA-N 381.211 2.821 0 1 GFAF CCNc1nc(-c2ccc(C3CCN(C)CC3)nc2)cc2ncn(C)c(=O)c12 115624256 ANQRTXSEVHPHCH-UHFFFAOYSA-N 378.480 2.632 0 1 GFAF CN1C(=O)/C(=C/c2c[nH]c3cc(Br)c(Br)cc23)N=C1N 38837808 XUVBKQXEGSJTDJ-FUQNDXKWSA-N 398.058 2.821 0 1 GFAF COc1cc(-c2cn([C@H]3CC(C)(C)CCNC3=O)nn2)ccc1-n1cnc(C)c1 84633622 TZFGTKRUKLTQQK-SFHVURJKSA-N 394.479 2.925 0 1 GFAF COc1cc2c(cc1OC)[C@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 85801175 XYWRZQQANNOTTD-QKNQBKEWSA-N 385.416 2.724 0 1 GFAF endogenous,in-man O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)C[C@@H]1c1ccccc1 40936450 RHQQBOMMVMDSSA-NVXWUHKLSA-N 386.839 2.804 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1ccc(F)cc1 95895016 MJDWAAMJSXRTDT-XUVXKRRUSA-N 399.466 2.504 0 1 GFAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCC(C)CC1 299820798 ITNLMOLGRLALKQ-UHFFFAOYSA-N 386.452 2.988 0 1 GFAF COc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1 299835843 YGZAZLRDGFPXHX-SHTZXODSSA-N 392.477 2.809 0 1 GFAF COc1cc2c(cc1O)[C@H]1Cc3ccc(OCCCO)c(OC)c3CN1CC2 653724721 BTJSYOUOQORWBA-GOSISDBHSA-N 385.460 2.826 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H](O)[C@@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587435138 DBZSARWPRNMTGX-AGOUYOECSA-N 391.467 2.979 0 1 GFAF CN[C@@H](c1cccnc1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587220455 CAEHACBGYCHQKK-ZDUSSCGKSA-N 375.226 2.816 0 1 GFAF COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2n1 587233763 CMBGGTXPCNGRPT-UHFFFAOYSA-N 388.424 2.608 0 1 GFAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CS(C)(=O)=O 587859732 LCLUNMNKILLRBK-UHFFFAOYSA-N 377.249 2.940 0 1 GFAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963228887 OMZFYHZODBMLBK-VVUGWJFESA-N 383.448 2.668 0 1 GFAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230884 QKYOIWJHKNLDNS-PXNSSMCTSA-N 393.491 2.846 0 1 GFAF C=CN1CC[C@H]([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)C1=O 962669972 PRTMFZAHQRDSPJ-WTOYTKOKSA-N 379.460 2.541 0 1 GFAF CC1=NC(C(=O)O)=C(C(=O)O)[C@@H](c2ccccc2Cl)[C@@H]1C(=O)OC(C)C 169717751 KJBHUDXNQBUFOA-OLZOCXBDSA-N 379.796 2.889 0 1 GFAF OC12C[C@H]3C[C@@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1F)(C3)C2 101134955 IJBCBNGKYORYDI-RPMOLYCXSA-N 376.476 2.827 0 1 GFAF N#CN1CC[C@@H](N2CCCN(c3ccc(-c4ccccc4)cc3)S2(=O)=O)C1 1857604233 ZSCWNYVGGAKPPO-HXUWFJFHSA-N 382.489 2.666 0 1 GFAF C#CCN(Cc1ccccc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 140372626 SOABYFANBYJVTR-NRFANRHFSA-N 382.414 2.580 0 1 GFAF O=S1(=O)CCCCN1C[C@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21 148302162 FWUPFSPYRTZMGW-HNNXBMFYSA-N 394.443 2.859 0 1 GFAF O=C1CSc2ccc(C(=O)N3CCC[C@H](C(=O)N4CCCCC4)C3)cc2N1 50659206 BMKKSTGRTGDSSS-HNNXBMFYSA-N 387.505 2.596 0 3 GFAF CC(C)(C)OC(=O)NCCCCNC(=O)C[C@H]1CC(c2ccc(O)cc2)=NO1 34633592 SDSVEMLPYFFBLM-MRXNPFEDSA-N 391.468 2.696 0 1 GFAF O=C(N[C@@H]1CCC[C@@H](C(=O)N2CCOCC2)C1)NC12CC3CC(CC(C3)C1)C2 84758399 WOWHTGZSYYPCMC-SSAUXNHXSA-N 389.540 2.672 0 1 GFAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc[nH]c3c2)c1F 82154044 CWDHWLRBSAIDBH-UHFFFAOYSA-N 395.391 2.640 0 1 GFAF in-vitro Cn1c2c(c3cc(S(=O)(=O)c4ccc(CN)cc4)ccc31)[C@H]1CC[C@@H](C2)N1 96175137 AJMPBKFJRDIAGM-KBXCAEBGSA-N 381.501 2.819 0 1 GFAF COC(=O)c1cc(C)nc(N2CCN(c3ccccc3C(F)(F)F)CC2)n1 473087250 DRLLTGIIWLFNCG-UHFFFAOYSA-N 380.370 2.917 0 1 GFAF CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453955 QKEQFXFKIKFDMZ-ZHRRBRCNSA-N 380.396 2.836 0 1 GFAF COC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426720 PMGPDAURZIECMO-SPLOXXLWSA-N 384.359 2.609 0 1 GFAF N=c1[nH]c2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc-2c(Cl)[nH]1 587258381 JKKYRZZMXKJVBC-ZDUSSCGKSA-N 395.854 2.942 0 1 GFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)cc2[nH]1 586960441 WVWNDZDTVRGLDH-HNNXBMFYSA-N 396.266 2.794 0 1 GFAF CCN(C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)S(C)(=O)=O 149589340 VGBGXCYCEWBKNY-AWEZNQCLSA-N 382.432 2.715 0 1 GFAF COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1 5067199 LJWAWDPPQNTUBG-UHFFFAOYSA-N 385.445 2.503 0 3 GFAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(SC(C)(C)C)oc23)[C@@H](O)C1 14945067 IUCLAKBWNSRBAI-YGRLFVJLSA-N 379.478 2.875 0 1 GFAF COc1cccc(C2=N[C@@](C)(CC(=O)Nc3ccc4c(c3)OCO4)ON2C)c1 205212863 ZYDBUKKZOLOWBX-HXUWFJFHSA-N 383.404 2.793 0 3 GFAF NC(=O)CC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 1857566165 FLBBUHWPRGLPJB-UHFFFAOYSA-N 376.210 2.515 0 1 GFAF Cc1cccc(S(=O)(=O)N2C[C@H](N(C)c3ncnc4[nH]ccc34)C3(CC3)C2)c1 1857656107 ONQULHWPVWQCNN-KRWDZBQOSA-N 397.504 2.556 0 1 GFAF COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(OC)ccc2OC)c1 1016451 OPOFJAKSNUAVNE-IBGZPJMESA-N 397.431 2.979 0 1 GFAF COc1cccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C[C@H](O)[C@H]2O)c1 2356309613 WCHCCHCBARZTPZ-WNRNVDISSA-N 395.377 2.722 0 1 GFAF COC(=O)[C@H]1CCC(=O)N1[C@@H](c1ccc(OC)cc1)c1ccc2c(c1)OCO2 1645075 NIUHAHUFZKQQOF-UZLBHIALSA-N 383.400 2.677 0 1 GFAF CC(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 2356315597 NCMCKKKMZKTIEL-MBDNFAEBSA-N 399.535 2.592 0 1 GFAF O=C(NCCOCCO)c1c(-c2ccccc2Cl)noc1-c1ccoc1 2482139 XOICACRUUJMCAZ-UHFFFAOYSA-N 376.796 2.994 0 1 GFAF Cc1cc(N2C(=O)c3ccc(C(=O)NCCc4ccccc4)cc3C2=O)no1 3014990 QIPZKZNJPSPINN-UHFFFAOYSA-N 375.384 2.756 0 1 GFAF O=C(NC[C@@H]1CCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 58581321 VDTACYBUGLTWCI-SFHVURJKSA-N 390.491 2.700 0 1 GFAF CC(=O)O[C@@H]1C[C@H]2C(=O)O[C@H](c3ccoc3)C[C@@]2(C)[C@@H]2C[C@@H]3C[C@H](C(=O)O3)[C@@H]12 100778554 DYSOIAQEKRDXRB-LPIJAPJCSA-N 388.416 2.793 0 1 GFAF endogenous,in-man COc1cc(Cl)c(N)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 29213102 LYYSNLKOMKPMQS-OAHLLOKOSA-N 389.883 2.562 0 1 GFAF NC(=O)c1cc(C[C@@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114592004 HFIOGKRKJRAZJQ-MRXNPFEDSA-N 382.391 2.675 0 1 GFAF O=C1CO[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]2N1Cc1ccc(F)cc1 2356452224 JMLWGMAKFOPVHH-RBUKOAKNSA-N 376.378 2.716 0 1 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H]1CCCCC1=O 29333207 QIIYAJZQOKYUDR-KRWDZBQOSA-N 381.904 2.884 0 1 GFAF COc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3C)CC2)c(C(C)=O)c1 28634858 CAQSWUZBWKAERC-IBGZPJMESA-N 398.503 2.768 0 1 GFAF COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=S)cc1 72184195 BBFMOMYMNDDVAB-BEFAXECRSA-N 383.473 2.889 0 1 GFAF CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 43019185 PPIXLDHQYDDLOH-KGLIPLIRSA-N 399.457 2.517 0 1 GFAF C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(N)=O 82070718 FYVJHZKZPMTYTA-ZCFIWIBFSA-N 395.259 2.983 0 1 GFAF CCCc1ccc(Cn2cc([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3ccccc32)cc1 84757060 CWTQWNARRLXXPF-ACESQOTJSA-N 381.472 2.796 0 1 GFAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 195383186 LZQNFYIYZIDOBD-QINHECLXSA-N 390.468 2.955 0 1 GFAF COc1c(O)ccc(/C=C/C(=O)O)c1-c1c(/C=C/C(=O)O)ccc(O)c1OC 238751570 FFSVVNFOFBUPFY-NXZHAISVSA-N 386.356 2.978 0 1 GFAF COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)[C@H](O)C2 40848758 HTNJCCKJJVLCTO-MAUKXSAKSA-N 386.400 2.887 0 1 GFAF biogenic Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3cccc(Cl)c3)c2=O)c1 299857342 NHEGJNVSNJBFHC-UHFFFAOYSA-N 397.862 2.967 0 1 GFAF O=C(NCCO)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1 653749357 NXVBEDJILHBVKF-UHFFFAOYSA-N 385.374 2.964 0 1 GFAF O=C(O)CCc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O 587946749 WMLBYJMQQLSIFS-UHFFFAOYSA-N 395.774 2.931 0 1 GFAF Nc1ncc(Cl)nc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587087386 PUDDMNXPGZJHSD-UHFFFAOYSA-N 377.735 2.549 0 1 GFAF COc1cc2c(cc1OC)[C@@]1(CCCC3(C1)OCCO3)NCC21CCOCC1 963189276 LMUFVYZGDXZCSG-NRFANRHFSA-N 389.492 2.868 0 1 GFAF CN(C(=O)c1cn(-c2cnsc2)c2ccccc12)C1C[C@H]2COC[C@@H](C1)N2 1772607232 WJOLUOABLUXKCY-YIONKMFJSA-N 382.489 2.678 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1Cl 169299174 WGFHSIVDHDSQFC-WCLYBPTNSA-N 377.227 2.691 0 1 GFAF Cc1ccc(C(C)C)cc1OC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)O 1857546069 XOGHGYSTYJZEFU-INIZCTEOSA-N 378.469 2.502 0 1 GFAF COc1ccccc1N1CCN(CCCN2CCc3ncsc3CC2)CC1 1857610373 XBMPNPGMBILBPP-UHFFFAOYSA-N 386.565 2.765 0 1 GFAF Clc1ccc2nc(N3CCCNCC3)nc(N=c3cc(C4CC4)[nH][nH]3)c2c1 1857633243 QWTWYDBLVGZMGE-UHFFFAOYSA-N 383.887 2.849 0 1 GFAF COc1ccc(-c2noc(-c3ccc(OC)cc3OC)c2C(=O)NCCO)cc1 2484867 HSEAMFVVTOTSFK-UHFFFAOYSA-N 398.415 2.757 0 1 GFAF CCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 103108534 QUDLZXRYDTUMMH-UUIKUFGASA-N 385.460 2.882 0 1 GFAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)Nc1ccsc1 2356843316 NKOACQKXEIJLPO-BFYDXBDKSA-N 380.583 2.629 0 1 GFAF Cc1ccc2c(=O)n3c(nc2c1)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1-3 61921435 TUZLKBGMVMDBER-LJQANCHMSA-N 398.422 2.822 0 3 GFAF COC[C@@H]1NS(=O)(=O)c2ccc(Br)cc2O[C@@H]1c1ccccc1 72139550 RJPQTKBHZHQVFS-XJKSGUPXSA-N 398.278 2.876 0 1 GFAF CC(=O)C[C@]1(O)C(=O)c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@H](C)O4 13480631 SJTGXQPVZQYOCL-MGUXCZDKSA-N 398.411 2.707 0 1 GFAF biogenic COC1=C2c3ccc(OC)c(OC)c3C(=O)N2CCc2cc3c(cc21)OCO3 14655892 AOYZGAKAEMKXOO-UHFFFAOYSA-N 381.384 2.917 0 1 GFAF biogenic Cn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 45287104 MFEDLIMXIUUSEO-UHFFFAOYSA-N 391.366 2.591 0 1 GFAF C[C@@H]1N[C@H](CC[C@H](O)CCCC2(CC[C@@H](O)CC(=O)O)CCCC2)CC[C@H]1O 85488260 VQRDMKWFWNHFIY-OMQSBVIBSA-N 399.572 2.975 0 1 GFAF biogenic,in-vitro OCCNc1nc(Nc2ccccc2)c2ncn(CCc3cccc(O)c3)c2n1 42201502 KGEHYMSXWBXBMF-UHFFFAOYSA-N 390.447 2.922 0 1 GFAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CNc3ccn[nH]3)c2F)cn1 224554454 QAIXIRWDFRUETN-CYBMUJFWSA-N 398.442 2.707 0 1 GFAF COc1ccc(CN2[C@@H]3CN(C(=O)C4CC4)c4ccccc4[C@@H]3[C@@H]2CO)cc1 95893949 WMMSJMSADXYAFQ-FSSWDIPSSA-N 378.472 2.781 0 1 GFAF COc1ccc(CN2[C@H](CO)[C@H]3c4ccccc4N(C(=O)NC(C)C)C[C@H]32)cc1 95894031 PJHPMRRPGVCKKD-VSKRKVRLSA-N 395.503 2.962 0 1 GFAF O=C1N[C@@H](c2ccccc2)COCn2nncc2CC[C@@H]1Cc1ccccc1 95898412 SAGFGIZIGKWJGX-TZIWHRDSSA-N 376.460 2.915 0 1 GFAF C[C@H](c1ccccc1)N1C(=O)[C@H]2CN(C(=O)c3cccc(F)c3)CCN2C1=O 25433836 LXCTXOCCOXCVMY-RDTXWAMCSA-N 381.407 2.676 0 1 GFAF biogenic Cc1ccc(C)c(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 587959211 MKCJKLQIXLDHNQ-UHFFFAOYSA-N 385.489 2.791 0 1 GFAF CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 587409357 RQSGZGLKKVTZQI-NRFANRHFSA-N 383.400 2.772 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-n2cccn2)nn1 587869890 QLEMAJVCGNCDLZ-UHFFFAOYSA-N 387.325 2.937 0 1 GFAF Cc1cnc([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1C 962924886 ICXDPWRZAFYUBQ-OALUTQOASA-N 379.416 2.915 0 1 GFAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]21N[C@H](C(=O)O)Cc2cccc(F)c21 962927094 ZMEJZDQGGZHUNQ-CPJALAGPSA-N 376.428 2.649 0 1 GFAF Cc1ccnc2c1CCN[C@]21CCN(C(=O)OC(C)(C)C)C[C@H]1CCCO 963069311 DGQDTGMDYCZRHS-IERDGZPVSA-N 375.513 2.761 0 1 GFAF O=C(N[C@H]1C[C@H](C(=O)NCCCc2ccccc2)C1)N1Cc2ccncc2C1 1772588933 RXFBGPRDTVZPAD-KESTWPANSA-N 378.476 2.634 0 1 GFAF O=C(NC[C@H]1Cc2cccc(-c3nccs3)c2O1)c1cc2ncccn2n1 12026300 VGWCZGOHAPVHOZ-CYBMUJFWSA-N 377.429 2.586 0 1 GFAF CN(C)CCCNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 203007563 QEWXLASRORBCGI-UHFFFAOYSA-N 380.294 2.947 0 1 GFAF Fc1nc(Cl)c2ncn(Cc3cn(-c4ccnc5ccccc45)nn3)c2n1 1857551042 PDKKKSNHFSUHPZ-UHFFFAOYSA-N 380.774 2.796 0 1 GFAF CS(=O)(=O)[C@@H]1CCN(C(=O)CCSc2nc3cc(Cl)ccc3o2)C1 1857558970 NGDIQIXGBASTBC-LLVKDONJSA-N 388.898 2.609 0 1 GFAF CNC(=O)c1cnc(Nc2ncccc2F)cc1Nc1ccccc1C(N)=O 1857608507 FNWBFOBFEBSNLZ-UHFFFAOYSA-N 380.383 2.561 0 1 GFAF N#Cc1cccc(-c2ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc2)c1 140613051 DONZXTXFCDZQJM-GOSISDBHSA-N 380.400 2.592 0 1 GFAF CC(C)C[C@H]1C(=O)N(NC(=O)c2ccccc2C(=O)O)CN1Cc1ccccc1 64574074 ZNUWGPJJJRJHBT-IBGZPJMESA-N 395.459 2.746 0 1 GFAF COC(=O)[C@@]12C[C@@H]3[C@@H]4O[C@H](C)[C@@H]3C[C@H]1N4CCc1c2[nH]c2ccc(OC)cc12 2356530417 DHIALYFVBVORHH-WOYDHUNSSA-N 382.460 2.599 0 1 GFAF COc1c(O)cc([C@H]2OC[C@H]3[C@H](c4cc(O)c(OC)c(O)c4)OC[C@H]23)cc1O 2356664357 RYHHTEJSKIQZAS-KZBLUPIWSA-N 390.388 2.601 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356740773 JDQWKADNJIUBND-SIEGXRNMSA-N 390.520 2.575 0 1 GFAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@H](NCCCc3ccccc3)CO[C@@H]12 2356873883 YJVKHESIOJMRFD-NCYKPQTJSA-N 382.460 2.992 0 1 GFAF Cc1ccc(S(=O)(=O)c2c(C(=O)NCCO)[nH]c3ccc(Cl)cc23)cc1 35001627 XABWIZJVEIIUHU-UHFFFAOYSA-N 392.864 2.685 0 1 GFAF COc1c(C(C)C)cc2c(c1OC)[C@]1(C=O)C=CC(=O)C(C)(C)[C@]13O[C@@H]3C2=O 15157566 FQRPJCSRTNMLFM-FCEUIQTBSA-N 384.428 2.763 0 1 GFAF biogenic Cc1c2c(nn1C)C(=O)N(c1cc(F)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 220399309 VJPKOWZJHFRYJT-QGZVFWFLSA-N 386.814 2.970 0 1 GFAF CC[C@H](C)C(=O)O[C@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O 14589866 LEQFGQJFFOQFOZ-FJNPEDAXSA-N 378.421 2.564 0 1 GFAF biogenic Cc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3ccncc3)cc2n1 95570184 XOVATCRFGHQKQA-UHFFFAOYSA-N 388.431 2.655 0 1 GFAF NCc1ccc(C[C@@H](C[P@@](=O)(O)[C@@H](N)CCc2ccccc2)C(=O)O)cc1 98208388 XZFPYKBNMOQQLL-RBUKOAKNSA-N 390.420 2.577 0 1 GFAF in-vitro C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCCC[C@H]3C)C2)C1 248009608 XFGIONNEHGAZPS-LFDJNIOPSA-N 399.601 2.616 0 3 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(=N)[nH]cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240518 VEJHBMBFZCJAQN-PLTJGGDTSA-N 387.484 2.925 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnc(O)c3C(N)=O)CC2=O 587467743 CDDYNENOELBEFK-NRFANRHFSA-N 382.416 2.741 0 1 GFAF NC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580165 RCFFTKFXPSPCSJ-KNQAVFIVSA-N 391.379 2.959 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1nc(C(=O)OC)n[nH]1)CC2=O 587469804 FYSNVZCGUQSDBN-MRXNPFEDSA-N 396.403 2.747 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)O2 587396685 VQFYTAPXAMOETM-IUAWBRRGSA-N 387.480 2.977 0 1 GFAF COC(=O)c1cn2c(C)c([C@]3(C)NCCc4nc5ccccn5c43)sc2n1 962979753 AHQLFFQCBQOREV-LJQANCHMSA-N 381.461 2.548 0 1 GFAF CCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344417 BPECEJDPRFPPQD-YTVFBIFFSA-N 395.499 2.919 0 1 GFAF O=c1n(Cc2nc3ccccn3c2CCCCO)c2cnccc2n1C1CC1 200795824 DZZAFGZLFFDVJL-UHFFFAOYSA-N 377.448 2.544 0 1 GFAF CCNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OC)ncc1C#N 205927034 JLEHNHTYFXKNNY-UHFFFAOYSA-N 386.431 2.504 0 1 GFAF O=C(NC1CCCCC1)c1nnc2n1CCN(C(=O)c1ccccc1Cl)C2 205230672 CEHMVNTVJGGLPC-UHFFFAOYSA-N 387.871 2.650 0 3 GFAF O=C(NC[C@H](c1cncnc1)N1CCOCC1)c1cccc(Cl)c1Cl 207596333 WAVNFGJAWVSJCL-OAHLLOKOSA-N 381.263 2.587 0 1 GFAF CN1C[C@H](N=c2[nH]c3cc[nH]c3c(=O)n2C)C[C@H](c2ccc3ccccc3c2)C1 1857558057 ZAJOVXHUHHARKS-RBUKOAKNSA-N 387.487 2.737 0 1 GFAF CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)nn1 9626603 HXIJOISGSMPNRC-UHFFFAOYSA-N 397.412 2.528 0 3 GFAF COC(=O)c1cc([C@H](O)CN[C@@H](C)CCc2ccc3c(c2)OCO3)ccc1O 26993875 YJEDQPSGANOHKM-SCLBCKFNSA-N 387.432 2.552 0 1 GFAF Cc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@@H]3Cc1ccc(O)cc1 61921434 AUTDTUKREMQQOJ-LJQANCHMSA-N 398.422 2.822 0 3 GFAF COCC[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O 217083827 WUUYZABVNGBRSH-LWZKNFMGSA-N 399.531 2.720 0 1 GFAF Cc1cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn2c1C 210571128 ROMIZBHFQIJOHH-UHFFFAOYSA-N 393.417 2.879 0 1 GFAF C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccsc3)c(=O)n21 82211021 OGAFWQIBRDUHCC-GFCCVEGCSA-N 386.452 2.858 0 1 GFAF NC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)cc(F)c21 49125604 ZSLMAWLLDWVINL-LBPRGKRZSA-N 380.416 2.886 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2N)co1 82070495 JVZIEJJQHIFZOO-AWEZNQCLSA-N 378.432 2.667 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCC3)[C@H]2CNS(C)(=O)=O)cc1 95895059 CJAZRFHXKVTIPD-DIQPWPLUSA-N 392.565 2.588 0 1 GFAF COc1cc(/C=C/C(=O)N[C@@H]2C[C@@H](C)NC(=O)N2)cc(Cl)c1OC(C)C 618015650 DFVQMOMHDNVXJW-ANSFZNSGSA-N 381.860 2.683 0 1 GFAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)no1 299822353 NOTLWEOMOBTBJD-KKUMJFAQSA-N 377.485 2.843 0 1 GFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587193456 AQCAROOBJUUVJI-LBPRGKRZSA-N 380.420 2.918 0 1 GFAF COc1cc2c3c(c1)O[C@](C)([C@H]1C=C(C(=O)O)NN1c1ccccc1)[C@@H](C2)C3=O 587435708 IJLDVJDYHORFOW-REDKUUPNSA-N 392.411 2.563 0 1 GFAF CCn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580459 IBACNBHHJJMDKG-UZLBHIALSA-N 380.356 2.550 0 1 GFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)c(F)cc2[nH]1 587204722 RVFDWEUBWDKNPF-GFCCVEGCSA-N 385.237 2.543 0 1 GFAF CCOC(=O)CCC[C@@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441045 IYTIFDZKODLZHN-VFNWGFHPSA-N 390.432 2.868 0 1 GFAF COC(=O)Nc1ccc(-c2nc3cc(I)cnc3[nH]2)cn1 587244357 DCQXQGFFILUKKL-UHFFFAOYSA-N 395.160 2.803 0 1 GFAF CCOC(=O)CCC[C@@]1(CC(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587399385 JQOOZGWKZQOCNB-FQEVSTJZSA-N 377.437 2.968 0 1 GFAF Cc1ccc(-c2noc([C@H]3C[C@@H]3O)n2)cc1NC(=O)c1cnc2ccccn12 206107552 VVYKXEVSEJUERS-BBRMVZONSA-N 375.388 2.793 0 1 GFAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H]([C@H]1CC=CCC1)NCC3 209529232 BWTDWMAKXZWFIU-YJBOKZPZSA-N 390.487 2.706 0 1 GFAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cc2sccc2[nH]1 1857545255 AIPFGGFTXVRZIW-CYBMUJFWSA-N 381.457 2.785 0 1 GFAF CCCCN(CC(=O)NC(C)C)C(=O)CCCCCN1C=CN(C)C1=CN=O 1857743475 IQUWKCQRAGMSIQ-UHFFFAOYSA-N 393.532 2.984 0 1 GFAF CSCCc1nc2nc(N(C)[C@@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O 3955245 RHFNWKOXFCDWKK-UGSOOPFHSA-N 384.505 2.782 0 1 GFAF CCOC(=O)[C@@H](C)NC(=O)c1cn(CC)c2cc(C(F)(F)F)ccc2c1=O 103193814 FPLHQHBLRFDGIL-SNVBAGLBSA-N 384.354 2.722 0 1 GFAF COc1cc(C2=NN(C(N)=O)[C@@H](c3ccc(F)cc3)C2)ccc1OCC(=O)O 28713541 FBMDLEKWERJXAX-OAHLLOKOSA-N 387.367 2.528 0 1 GFAF CC1=C(Sc2cc(Cl)cc(Cl)c2)[C@H](COCCO)C(=O)NC1=O 102817752 FWLIJFLHZVSBOP-LBPRGKRZSA-N 376.261 2.641 0 1 GFAF COCC[C@H](CC1(C(=O)NCCOc2ccc(OC)cc2)CCCC1)C(=O)O 28641494 DJSICEUCTVBCIK-MRXNPFEDSA-N 393.480 2.878 0 1 GFAF C[C@@H](C(=O)NCC1CC1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21 28824903 MPZATXFDQOSKQF-XOBRGWDASA-N 391.471 2.650 0 1 GFAF O=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(ncn2-c2ccn[nH]2)C1 218398113 VELQIHSWORZCES-UHFFFAOYSA-N 379.317 2.952 0 1 GFAF CC(C)Cc1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O 82231560 BVEPQRCANKKWDP-UHFFFAOYSA-N 381.455 2.982 0 1 GFAF Nc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)cnc12 221217839 STCYFWLNHSJIPQ-UHFFFAOYSA-N 384.396 2.542 0 1 GFAF CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc(C)c1 82146358 VGKHETIUGUCAEJ-WBVHZDCISA-N 395.507 2.682 0 1 GFAF CCN(CC)C(=O)COc1cc(F)c(CC(=O)OCC(F)(F)F)cc1OC 299826260 FRWFTVGLEZPIDD-UHFFFAOYSA-N 395.349 2.730 0 1 GFAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](C1CCCC1)OCC3 473082315 HFAUQBNFHMPJST-HXUWFJFHSA-N 379.460 2.967 0 1 GFAF Cc1ccc(-n2c(C)nc3ccc(C(=O)c4cnn(C)c4O)cc3c2=O)c(F)c1 299835696 LDGUFDLVLDMLIW-UHFFFAOYSA-N 392.390 2.812 0 1 GFAF CN=c1nc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]s1 587857710 MRPUIQIMGUABIF-GLEZIHRCSA-N 385.306 2.895 0 1 GFAF CS(=O)(=O)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607408 MMPGRDAYYLWTJH-QFBILLFUSA-N 385.397 2.704 0 1 GFAF N=C(N)c1ccc(CNC(=O)C2=CCC[C@H]2C(=O)N2CCc3ccccc32)cc1 13493947 CFYCIRYGCWTVNU-LJQANCHMSA-N 388.471 2.513 0 1 GFAF O=c1[nH]cnc2cc(N[C@@H]3CCCNC3)nc(Nc3cccc4cc[nH]c34)c12 169342728 SYCNFZSLURHSBO-CYBMUJFWSA-N 375.436 2.707 0 1 GFAF COC(=O)[C@@]1(C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169365508 FIRCNUMGFTTXGC-LHUKNYEISA-N 398.846 2.722 0 1 GFAF COCCN[C@@](C)(CCCCC(=O)O)c1nnnn1-c1c(C)cccc1Cl 206062477 KLVQSWACAUAPST-SFHVURJKSA-N 395.891 2.720 0 3 GFAF Cc1cccc(C(=O)N[C@]2(C(=O)O)Cc3ccc(C(=O)O)cc3C2)c1OC(C)C 167430314 NHTKSQOXJVOMKE-JOCHJYFZSA-N 397.427 2.832 0 1 GFAF O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCCCCC1 1109734 OHDRKYIAFNMZNY-LUYSREMJSA-N 392.499 2.807 0 1 GFAF Cc1c(C(=O)NCc2ccccn2)oc2ccc(S(=O)(=O)N3CCCC3)cc12 2459959 AIOUYILYRDFDDW-UHFFFAOYSA-N 399.472 2.851 0 1 GFAF O=C1NCCCC[C@H]1N(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 28957740 MWRHSZNEXBPBSH-QGZVFWFLSA-N 393.896 2.595 0 1 GFAF CN(C(=O)CCCOc1ccc2c(c1)CN1CCC(=O)NC1=N2)C1CCCCC1 26938258 DVINBBIGPWUECJ-UHFFFAOYSA-N 398.507 2.960 0 1 GFAF COc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2ccc(C)cc2)cc(OC)c1OC 71334308 NTPQHLMDZSFLJA-UHFFFAOYSA-N 383.404 2.957 0 1 GFAF O=C(C[C@@H]1C/C=C/CCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1 49249661 XOSBLLGXOWRWPW-VQRJYJFOSA-N 392.883 2.752 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1ccc(F)cc1 95895019 MJDWAAMJSXRTDT-ZCNNSNEGSA-N 399.466 2.504 0 1 GFAF CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCCc1ccccc1F 95604364 LJYXGDLQKVXLQO-SFHVURJKSA-N 397.450 2.746 0 3 GFAF O=C(c1ccccc1)c1cccc(C=c2nc(O)c(=Cc3ccccc3)nc2O)c1 299820724 CVGMRSYMFMQURW-UHFFFAOYSA-N 394.430 2.776 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1[C@@H](C(=O)O)NC[C@H]31 586990055 UPTOOBHRKLZMNH-KDKPCJNHSA-N 386.407 2.854 0 1 GFAF CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587399067 IGEDWYIXSKEMBX-QFIPXVFZSA-N 397.427 2.969 0 1 GFAF COC(=O)c1cc(OC)cc(OC)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444831 VGXWIFLZTDTREM-VLIAUNLRSA-N 384.384 2.988 0 1 GFAF O=C(O)CCN(CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)Cc1ccccc1 587193889 VBLMRAVXJDLQHB-UHFFFAOYSA-N 385.395 2.920 0 1 GFAF COC(=O)C(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591539 HCMCRYIRROOOGG-UWJYYQICSA-N 382.368 2.635 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H](NCc2ccccc2F)C1 1772587164 VCFSRKUPNNIFRY-QGZVFWFLSA-N 381.451 2.676 0 1 GFAF O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)NCc1ccco1 1772581425 BUAFIHKVTBDBCE-UHFFFAOYSA-N 384.867 2.920 0 1 GFAF COc1ccc(N2C(=O)CN(C(=O)Cn3cc4ccccc4n3)CC2(C)C)cc1 14880798 IBIONSZSEHSJHC-UHFFFAOYSA-N 392.459 2.699 0 1 GFAF CCNC(=O)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)[C@@H]2N=O 169722207 PPENAOABXJETGA-QGZVFWFLSA-N 399.378 2.796 0 1 GFAF CC(C)OCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCC1)S2 3008036 PTYBYWVERSBPCC-LJQANCHMSA-N 377.510 2.698 0 1 GFAF O=C1c2ccccc2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1nc2ccccc2s1 3794712 XDZFFOPLWNJUMA-FQEVSTJZSA-N 391.408 2.604 0 1 GFAF COc1ccc(CN2C(=O)c3cccc4cc(S(=O)(=O)O)cc(c34)C2=O)cc1 103254257 FEQUZAZOGBXZPL-UHFFFAOYSA-N 397.408 2.891 0 1 GFAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC(F)F)c2s1 103264864 OROGWDTYOWLRMS-UHFFFAOYSA-N 379.392 2.927 0 1 GFAF CCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 64527445 TYAOADJQLFNTDS-UHFFFAOYSA-N 377.853 2.782 0 1 GFAF COC(=O)[C@@]12CC[C@@]3(C=CCN4C(=O)C[C@]5(C1=Nc1c(OC)cccc15)[C@H]43)C2 2356635701 HGQBJRIJBYPBDS-ZDFPQIBNSA-N 378.428 2.533 0 1 GFAF O=C(O)C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356762695 NFLVYZFYGNIADI-CVEARBPZSA-N 378.432 2.754 0 1 GFAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NCCCc3ccccc3)CO[C@H]12 4236463 YJVKHESIOJMRFD-DOIPELPJSA-N 382.460 2.992 0 1 GFAF biogenic O=S1(=O)C[C@H](O)c2cc(Br)ccc2N1Cc1cccc(F)c1 72139846 LIJONHGNBZJTTJ-HNNXBMFYSA-N 386.242 2.972 0 1 GFAF O=C(OCCOCCN1CCNCC1)c1coc(-c2ccc3ccccc3c2)n1 82086358 YEOBHVFHJXIPGW-UHFFFAOYSA-N 395.459 2.573 0 1 GFAF COc1cc2c(C)c(-c3ccc(N4CCOCC4)nc3)c(=O)oc2c(C=O)c1O 221071134 HHXKYMZCBTZLPD-UHFFFAOYSA-N 396.399 2.527 0 1 GFAF CC(=O)N1CCC(c2nccnc2O[C@H]2C[C@H](Nc3ccc(C)cn3)C2)CC1 148444303 GOOOWYZSQWBVDW-HDICACEKSA-N 381.480 2.928 0 1 GFAF C/C=C(\O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O)C(=O)O 263636732 IBSXOQJJZICENO-QCTRQELDSA-N 388.372 2.942 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCN3CCOCC3)c1)O2 587402161 ZCCXAZOHZIUMTN-OAQYLSRUSA-N 382.460 2.995 0 1 GFAF CO[C@H](C)COC1CCC(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC1 587951583 HKQUEJYTHUWXOK-WLYUNCDWSA-N 395.525 2.891 0 1 GFAF CCOC(=O)[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742673 SUZZGTIINSUGIQ-VNLLOXMOSA-N 385.277 2.956 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177555 MSOVHFKDWGHWQW-UHFFFAOYSA-N 389.456 2.615 0 1 GFAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NC[C@@H]1CNC[C@@H]12 1772653406 YCABORKUSAHGNH-YOEHRIQHSA-N 375.432 2.627 0 1 GFAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@H]2CCCOC2)c1O 1772648551 CNOJOAOTZIGTKX-JTQLQIEISA-N 376.862 2.528 0 1 GFAF O=C(NCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1 13441854 UWZYWPDFYNJEEU-QMEWPPBRSA-N 384.501 2.810 0 1 GFAF Cc1c(C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C[C@H](O)CNC(C)C 13555972 HLLSNNTUXXLBMM-QGZVFWFLSA-N 399.516 2.599 0 1 GFAF COc1cnc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)cc1OC 13746161 VHFDEMLXZAFPPV-HHHXNRCGSA-N 386.477 2.658 0 1 GFAF Cc1ccncc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)[C@@H](C)CC3 1857601900 PNKFIZDBDDKBQI-LBPRGKRZSA-N 381.407 2.987 0 1 GFAF O=C(N[C@@](Cc1ccccc1)(Cc1ccc(O)cn1)C(=O)O)c1ccccc1 1656643 AMLVSFPQUDZDGA-QFIPXVFZSA-N 376.412 2.826 0 1 GFAF OC[C@@H](O)CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28011515 GCSNYHBLOFJHDQ-RCZSKKKRSA-N 388.458 2.512 0 1 GFAF C[C@@H]1C(=CC(=O)N(C)CCO)CC[C@@H]2[C@@H]1C(=O)C[C@@H]1C(C)(C)[C@H](O)CC[C@]12C 2356618234 KDNBPNSKQKVOSU-GMLXKTHVSA-N 391.552 2.802 0 1 GFAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(Cl)cc3)C[C@@H](O)[C@H]2CO)n1 2356621339 XHQKOTDZMACBQD-VNTMZGSJSA-N 389.927 2.944 0 1 GFAF Cc1ccc(-n2c(=O)n3n(c2=O)[C@@H]2C(=CC3)C(C)(C)Oc3cc(O)ccc32)cc1 71331067 WYRMDJLRCUMOCP-IBGZPJMESA-N 391.427 2.515 0 1 GFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@@H]3CCOC3)c2cn1)c1ccccc1 210777479 RUMKJXOZRUTZDG-RHSMWYFYSA-N 396.451 2.668 0 1 GFAF O=S1(=O)N(CC[C@H]2CNCCO2)c2cccc(F)c2N1c1ccccc1F 72114541 HMXOXSKENXHTKZ-ZDUSSCGKSA-N 395.431 2.546 0 1 GFAF CC(C)CN1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCS1(=O)=O 43205866 FLWFTHQICXUTTH-AWEZNQCLSA-N 379.309 2.670 0 1 GFAF Nc1scc2c(C(=O)NC3CC3)nn(-c3ccc(C(F)(F)F)cc3)c(=O)c12 84688121 HRYFCIGWPWQCFZ-UHFFFAOYSA-N 394.378 2.940 0 1 GFAF CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c4ccccc4c23)c1 146989366 GLNYHRIHVCJSGA-UHFFFAOYSA-N 396.476 2.829 0 1 GFAF O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 95900799 VBPXJTQPFOPDPZ-BIJSTVTOSA-N 398.415 2.800 0 1 GFAF CN(C)S(=O)(=O)c1ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc2c1 587060966 XOLYLLYEULSNLO-UHFFFAOYSA-N 378.841 2.719 0 1 GFAF Oc1nc(S)nc2[nH]c(-c3cc(I)ccc3F)nc12 587183402 ZOEGYNVEHYHCFW-UHFFFAOYSA-N 388.165 2.758 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN[C@@H](C(=O)O)[C@H]31 586989365 GHYAYECDAZVGNR-RTNATMCPSA-N 386.407 2.854 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@@H](CN[C@@H]3C(=O)O)C2)N1 587789244 APKVJKVIAXPZAX-YRCHETELSA-N 397.288 2.790 0 1 GFAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587116637 KCKDGLUEGADDKR-UHFFFAOYSA-N 380.735 2.882 0 1 GFAF Nc1ccc(C(=O)CCc2nc3cc(I)cnc3[nH]2)cc1 587251730 MJRPZYJOMUVEEM-UHFFFAOYSA-N 392.200 2.960 0 1 GFAF CCn1cc([C@]2(CC(=O)C(F)F)NCCc3c(C(=O)O)cccc32)c(C)n1 963125747 SUPWJAQVDMJTIZ-LJQANCHMSA-N 377.391 2.523 0 1 GFAF O=C(O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1O 962976785 OHHIPRMSEUZWLE-XHDPSFHLSA-N 383.734 2.710 0 1 GFAF COC(=O)[C@]1(C(C)C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963202513 ZRYLNOOTKILSIR-SWLSCSKDSA-N 379.762 2.982 0 1 GFAF CN1CC[C@H](c2c(O)cc(O)c3c(O)c/c(=N\c4ccccc4)oc23)[C@H](O)C1 13834667 BAKDMSIYUPKGBK-WSLKBLQLSA-N 382.416 2.562 0 1 GFAF CCCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 14947682 RNAWARZODNEZLL-DLBZAZTESA-N 385.464 2.548 0 1 GFAF COC[C@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 15065472 SHNKHWJPJPVARN-KRWDZBQOSA-N 383.492 2.890 0 3 GFAF COC(=O)[C@@]1(C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19460538 FIRCNUMGFTTXGC-WCLQXYBISA-N 398.846 2.722 0 1 GFAF Cc1cc2ncc(N3C[C@H](CN)[C@@H](c4cc(F)ccc4F)CC3=O)c(C)n2n1 169312417 HACBGESEWXAWQO-ZFWWWQNUSA-N 385.418 2.720 0 1 GFAF Cc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 6727261 QCACEHGEERYHKI-PMACEKPBSA-N 396.487 2.952 0 3 GFAF C[C@@H](CCc1ccccc1)NC(=O)CCS(=O)(=O)c1cccc2nonc12 6948194 NWUPHTBMDCXOOY-AWEZNQCLSA-N 387.461 2.524 0 1 GFAF CC[C@@H](C)C(=O)C(=O)N(C)[C@@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C 2356826894 HLFLCRYVHOAXOU-DNVCBOLYSA-N 385.508 2.925 0 1 GFAF Cc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@H]3Cc1ccc(O)cc1 61921433 AUTDTUKREMQQOJ-IBGZPJMESA-N 398.422 2.822 0 3 GFAF O=C(O)CCC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 73223414 PXBGCYWEALZWAZ-UHFFFAOYSA-N 376.368 2.741 0 1 GFAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](OC)C[C@H]1[C@]2(CO)C(=O)OC 1911575035 UVDGFEYPBBPQPN-FMCUPQPJSA-N 398.503 2.830 0 1 GFAF Cc1cc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)cnc1F 220719701 GHRVXMFUXOXBGC-NRFANRHFSA-N 383.423 2.924 0 1 GFAF CC(C)n1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205102 BLFHAOFUIYBYMK-KRWDZBQOSA-N 380.448 2.833 0 1 GFAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(OC)c3)ncn2)c1 198456029 BHGWFSUYIDPJHV-UHFFFAOYSA-N 385.449 2.881 0 1 GFAF NC1=N[C@@]2(c3cc(NC(=O)c4ncccc4F)ccc3F)OCC[C@H]2CS1 145712744 DTVMUOCNKLZDSQ-XTZNXHDOSA-N 390.415 2.863 0 1 GFAF COc1cc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccn1 140125701 DFYOXIFTOCWUFF-UHFFFAOYSA-N 386.415 2.663 0 1 GFAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95893696 JIPAKEXGEFDDCB-XUVXKRRUSA-N 379.460 2.594 0 1 GFAF CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CC1)C(=O)NC1CCCC1 95570968 PGJWGINDJVJJKY-HBMCJLEFSA-N 399.535 2.726 0 1 GFAF O=C(CSc1n[nH]c(-c2ccccc2C(=O)O)n1)Nc1nc2ccccc2[nH]1 473119869 MWUOXWJZZXSQFY-UHFFFAOYSA-N 394.416 2.777 0 1 GFAF O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2ccnc(O)c2)nc1 299852427 RXIYNWQDPWQCGB-UHFFFAOYSA-N 380.370 2.606 0 1 GFAF C[C@@]1(O)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C1 653679364 CJKBZXUEHCVQCB-GOSISDBHSA-N 377.395 2.561 0 1 GFAF Cn1nccc1CS(=O)(=O)Cc1nc2cccc(OCc3ccccc3)c2[nH]1 586922696 BKBADNXWNJDNHE-UHFFFAOYSA-N 396.472 2.990 0 1 GFAF CCOC(=O)c1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1 586951788 ZMTKVVFQDRIDHT-UHFFFAOYSA-N 380.451 2.543 0 1 GFAF O=C(O)CC[C@@]1(c2cccc(F)c2F)N[C@H](C(=O)O)Cc2cc(F)ccc21 962922139 OZOKLCSQXFXTIR-HNAYVOBHSA-N 379.334 2.811 0 1 GFAF CN1C(=O)C[C@H]2CN[C@@]3(CCC34CN(C(=O)OC(C)(C)C)C4)c3cccc1c32 963025393 JYXDQEBNYSFTTL-FPTDNZKUSA-N 383.492 2.966 0 1 GFAF CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3ccsn3)c3ccccc13)C2 1772614916 AVGNATLLJSHDLF-HUUCEWRRSA-N 382.489 2.678 0 1 GFAF C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2S[C@H](C)C4)C[C@@H](C)N1 13888321 LWKWCDOODAUPOG-OUAUKWLOSA-N 391.468 2.520 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646740 GDOAQHHMFNQXLJ-GJZGRUSLSA-N 384.384 2.727 0 1 GFAF endogenous,in-man O=C(CO)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 200382501 RPYBHCBNJHSWTL-GOSISDBHSA-N 376.384 2.830 0 1 GFAF CC(C)n1cnc2c(NCc3cccc(C(F)(F)F)c3)[nH]c(=NCCN)nc21 1857556062 QWLMDJJVWILOGW-UHFFFAOYSA-N 393.417 2.831 0 1 GFAF CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 760312 FEQYZDLIDLKROK-WBVHZDCISA-N 389.496 2.811 0 1 GFAF N=C1O[C@H](CN2CCN(c3ccccc3)CC2)CN1C(=O)Nc1ccccc1 3786672 PWSMUIKHDKMJNC-LJQANCHMSA-N 379.464 2.676 0 1 GFAF O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4050512 PGAGIBQZSIFISM-ICSRJNTNSA-N 381.432 2.500 0 1 GFAF CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCO)c1 4152605 PBZZQNGKXAOCSU-TZIWHRDSSA-N 398.459 2.684 0 1 GFAF O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)Nc1cccc(Cl)c1 4875962 TUJZSIQXJOFTTK-UHFFFAOYSA-N 383.835 2.800 0 3 GFAF O=S(=O)(c1ccccc1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3o2)C1 2356298846 FSVYMDSZOVQGDL-YOEHRIQHSA-N 376.409 2.756 0 1 GFAF CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)CC1 103280663 UKKMJBOONKSARQ-UHFFFAOYSA-N 399.397 2.719 0 1 GFAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cccc(F)c3nc2-1 26389176 DMCSBMGXUPTJMG-OAQYLSRUSA-N 380.375 2.609 0 1 GFAF NC(=O)[C@H](N)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29127806 RAGHPJGRUNIWIU-MRXNPFEDSA-N 380.473 2.605 0 1 GFAF C[S@@](=O)c1cc2n(c1C(=O)c1ccc(Br)cc1)CC[C@@H]2C(=O)O 28224396 BLIQSPOMTUZSPX-RULNZOCKSA-N 396.262 2.791 0 1 GFAF Cc1ccccc1[C@H]1CC(=O)N(CCN2CCN(c3ccccc3)CC2)C1=O 101706341 FICDGEILCFQCQD-OAQYLSRUSA-N 377.488 2.660 0 1 GFAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@@H]2[C@@H]1C 2356816091 CXNZNHHLTITSAJ-NFUIZDTDSA-N 381.561 2.658 0 1 GFAF COC(=O)c1cc(C)c2c(c1)S(=O)(=O)Cc1cc(NN)cc(Cl)c1O2 84634084 IONQDTNGKAEZHS-UHFFFAOYSA-N 382.825 2.800 0 1 GFAF COc1ccc(-c2oc3c(c2C(=O)OCCO)[C@H](OCCCO)CCC3)cc1 95604118 UXNZCKLNOCDYIW-MRXNPFEDSA-N 390.432 2.881 0 3 GFAF Cc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)O3)cc1 95710890 FPYFRAAYXDWLDR-CBGDNZLLSA-N 397.519 2.839 0 1 GFAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC)CC 95558497 QHJFWQADHXQXKQ-SFHVURJKSA-N 389.496 2.622 0 1 GFAF COC(=O)C1=C(C)Oc2ccc(Br)cc2[C@@H]1[C@H](C(C)=O)C(=O)OC 299840640 VUZFNVZEMMDNPY-DZGCQCFKSA-N 397.221 2.750 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C[C@@H](N)C(=O)O)(c1ccccc1N)CC2=O 587468400 GBHOWSBQWLTUBA-IIBYNOLFSA-N 384.432 2.590 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(C2CC2)N1 587849109 JPHKRDQPVDUNBP-PSLIRLAXSA-N 376.291 2.772 0 1 GFAF O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(CCO)cc3[nH]2)c1)N1CCC1 586955278 NJCXGBXVYFQIFS-UHFFFAOYSA-N 391.880 2.813 0 1 GFAF Cc1nn(C)c(C)c1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754178 DBWYEMTZDJDFMI-WNWIJWBNSA-N 396.260 2.801 0 1 GFAF CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CN2NC=NC2=N1 587796148 PKKODQKFAHEMKB-XYZCENFISA-N 392.276 2.830 0 1 GFAF COc1cc(CN2CCOCC2)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587400935 RRUPXNNSRFFERV-LJQANCHMSA-N 398.459 2.830 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NCCC(=O)N(C)C)c2cn1)c1ccccc1 1772623984 JQLJHHNRWUFQDB-CYBMUJFWSA-N 395.467 2.731 0 1 GFAF O=C1CCc2cc3c(c4c5cc(CN6CCOCC6)ccc5n1c24)CCNC3 13558713 NSELTLNRXBZSCP-UHFFFAOYSA-N 375.472 2.859 0 1 GFAF NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(C(=O)O)cc2)cc1 13761815 UIYSOVBHBZVODQ-UHFFFAOYSA-N 393.371 2.823 0 1 GFAF CCCc1ccc(C(=O)N2CCn3c(nnc3C(=O)N3CCCCC3)C2)cc1 205221607 VFXPAXHNDBSHSJ-UHFFFAOYSA-N 381.480 2.513 0 3 GFAF O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCc1ccc2c(c1)OCO2 4687550 NGUVUKVWNLMIFP-UHFFFAOYSA-N 399.834 2.712 0 1 GFAF O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)Nc1ccc(Br)cc1 4845730 WEAKHMUNEQPWFR-OJXGSEEGSA-N 391.265 2.809 0 1 GFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4CCN(C2=O)[C@H]13 100268655 LTQINICYLGNLHN-YBRVGAOZSA-N 382.460 2.790 0 1 GFAF CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)P(=O)(O)O 28642319 VWKXFDZWHLCIIU-MRXNPFEDSA-N 387.369 2.931 0 1 GFAF O=C1c2cccc3cc(S(=O)(=O)O)cc(c23)C(=O)N1Cc1ccc(O)cc1 103254255 SYUSTAMDQUYJNX-UHFFFAOYSA-N 383.381 2.588 0 1 GFAF COC(=O)c1cc([C@@H](O)CN[C@@H](C)CCc2ccc3c(c2)OCO3)ccc1O 26993869 YJEDQPSGANOHKM-UGSOOPFHSA-N 387.432 2.552 0 1 GFAF COC(=O)C[C@H](O)C[C@H](O)C=Cc1c(C)ccc2c1[C@@H](OC(C)=O)C[C@@H](C)C2 2356675299 PLYNBLLEIDIMDU-QHMHNIQBSA-N 390.476 2.870 0 1 GFAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@](C)(O)CCCCO 25968351 QFVICZQJYDDAAR-YYWIGBFVSA-N 396.524 2.702 0 1 GFAF O=C(O)C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1Cc1nc2cnccc2[nH]1 2356762696 NFLVYZFYGNIADI-HZPDHXFCSA-N 378.432 2.754 0 1 GFAF COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCC(=O)CC[C@H](O)CC(=O)C2 2356821265 FYSVSOAMDIXBBX-JQWIXIFHSA-N 398.839 2.605 0 1 GFAF NC(=O)C1(c2ccccc2CCc2nc(Nc3cn[nH]c3)ncc2Cl)CC1 211091721 IDBAAYPNWLPEBC-UHFFFAOYSA-N 382.855 2.899 0 1 GFAF CCCC[C@H](CC)COC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl 71341634 FIVQGVHQWJXOKD-LBPRGKRZSA-N 379.844 2.947 0 1 GFAF Nc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)c2cc(F)sc2n1 45335783 SMPIVRHKTGKSQB-UHFFFAOYSA-N 385.468 2.694 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1CCCC[C@H]1O 222400863 XPMXMSKJKVFHSA-QFBILLFUSA-N 391.475 2.935 0 1 GFAF C[C@@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1 221599201 UJEXESQYZPLJHO-CQSZACIVSA-N 378.451 2.934 0 1 GFAF C[C@@H]1CN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCO1 96168752 XNLXOHITJNIOAU-OAHLLOKOSA-N 377.448 2.518 0 1 GFAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@@H]1C[C@](C)(O)C(=O)CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 299806838 XZPFJFYBJFLLCW-HWFAPIJXSA-N 394.508 2.503 0 1 GFAF O=C1C[C@H](c2nc3c(S)nc(S)nc3[nH]2)CN1Cc1ccc(F)cc1F 587147997 DUOZTLHJWYIXKE-QMMMGPOBSA-N 393.444 2.725 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Br)nc2[nH]1 587231174 MIOFSFKUCWAAPB-MNOVXSKESA-N 381.274 2.757 0 1 GFAF COc1cc(Br)cc(C=O)c1OCc1nc2c(N)ccnc2[nH]1 586980332 PJJUERWELLKRAC-UHFFFAOYSA-N 377.198 2.703 0 1 GFAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)n1 587587575 NGYHTFHRIAUGRY-MAUKXSAKSA-N 380.356 2.902 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2S(C)(=O)=O)N1 587851036 ULEUWARUTHOUHP-BCQZVRRWSA-N 376.291 2.915 0 1 GFAF COC(=O)c1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cn1 587197042 HFJQYIJVUONXDI-LBPRGKRZSA-N 390.440 2.661 0 1 GFAF COC(=O)c1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cn1 586983596 FJJSLXQOEAUNNE-NSHDSACASA-N 375.226 2.750 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cl)c(S(N)(=O)=O)c1)O2 587408873 JHTYVFVESVFYMO-QGZVFWFLSA-N 380.853 2.759 0 1 GFAF CNC(=O)COc1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587434005 ZHHOCLUVUIUXLQ-OPAMFIHVSA-N 381.428 2.926 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@H](c3cccc(CN4CCOCC4)c3)c3cccc1c32 963023906 IZYAVYOMXRVNPM-WZONZLPQSA-N 377.488 2.662 0 1 GFAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)C1 5004225 MFQZNXAZFXEUSJ-IYBDPMFKSA-N 396.491 2.627 0 3 GFAF aggregator N[C@@H](CCc1ccccc1)[P@](=O)(O)C[C@@H](Cc1ccc(O)cc1)C(=O)O 13522032 STVSJGZHUJJREA-SJLPKXTDSA-N 377.377 2.824 0 1 GFAF CC(C)(C(=O)NCc1cccnc1)n1cc(-c2ccc3c(c2)OCCO3)cn1 205214619 YMWCTQWYHWGEKX-UHFFFAOYSA-N 378.432 2.768 0 3 GFAF Cc1nc(N(C)CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)oc1C 1482444 HLZUFJJOZAUDTE-OAHLLOKOSA-N 375.450 2.701 0 1 GFAF CCn1ncc(C2=NO[C@H](C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1C 6804865 JUBQYMFZBVHXBW-SFHVURJKSA-N 378.436 2.837 0 1 GFAF CC(C)NC[C@@H](O)COc1ccc(OCCOCCOc2ccccc2)cc1 29338818 VFUXBLLNQRKMFD-LJQANCHMSA-N 389.492 2.899 0 1 GFAF CC(=O)c1ccc(N2CCN(CC[C@@H](O)COc3ccc(F)cc3)CC2)cc1 29488901 ZSCMHUYFEWDLCP-OAQYLSRUSA-N 386.467 2.980 0 1 GFAF COc1ccc(CNc2nc(N3CC[C@H](O)C3)nc3c2ncn3C(C)C)cc1 26643870 RPSNOLXNJKIIBZ-HNNXBMFYSA-N 382.468 2.599 0 1 GFAF Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CCC2CCCC2)c1 61898741 DQERZANMHGCMJG-HXUWFJFHSA-N 392.521 2.761 0 3 GFAF O=C(COCc1cnccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1 64549909 XIIZBVWBCHHNQS-UHFFFAOYSA-N 381.263 2.649 0 1 GFAF O=C(N[C@H]1CCC[C@H](C(=O)N2CCOCC2)C1)NC12CC3CC(CC(C3)C1)C2 84758400 WOWHTGZSYYPCMC-DDNHJUOSSA-N 389.540 2.672 0 1 GFAF CC(=O)OC(C)(C)[C@H]1Oc2ccc3c(c2[C@@H]1OC(=O)C(C)C)OC(=O)CC3 85509300 BWKHAONALVOTAJ-ROUUACIJSA-N 376.405 2.881 0 1 GFAF biogenic,in-vitro c1cc(N2CCc3c(-c4ccc5cn[nH]c5c4)nc(N4CCOCC4)nc32)ccn1 95596118 DBHISPJFBQLTJO-UHFFFAOYSA-N 399.458 2.946 0 1 GFAF CC(C)(C)OC[C@@H]1CN(Cc2cccs2)S(=O)(=O)c2cnccc2O1 299852365 QVWLHGJOVYLUBE-ZDUSSCGKSA-N 382.507 2.910 0 1 GFAF Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccccc1F 299838913 WLEJDSUDDHGCTO-UHFFFAOYSA-N 378.363 2.503 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1 299807750 XOHZZDFJOIMTMY-CTTWBBHYSA-N 378.350 2.627 0 1 GFAF O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O 587926060 KBTLHOLONIFRCH-HNNXBMFYSA-N 383.356 2.904 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC(=O)N(C)C)CC2)N1 587767078 IKBMDMHQJGPRGE-LBPRGKRZSA-N 398.320 2.502 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(S(C)(=O)=O)cc1Cl)NCC2 962925113 PPMBTZQDMHBJFQ-SFHVURJKSA-N 392.908 2.680 0 1 GFAF Cn1ccnc1COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962926636 YCJBREWQNGRATQ-PXNSSMCTSA-N 381.407 2.827 0 1 GFAF C[C@@H](NC(=O)[C@H]1C(=O)N(CCO)[C@@]2(C)C[C@@H]1c1ccccc1O2)c1ccccc1 13147446 MFKFSVAFSUHGOG-ZMUHBRSJSA-N 394.471 2.597 0 1 GFAF O=C(c1cc2ncc(Br)cn2n1)N1CCc2ccsc2CC1 150183414 OHYAXRDMSLZLIC-UHFFFAOYSA-N 377.267 2.794 0 1 GFAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](C(C)C)N2 169719744 GPQFQBLUSJCIFV-YJPTXTSQSA-N 385.512 2.741 0 1 GFAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OC[C@@H]3CCCO3)ccc1-2 209697958 DFBLFEOEHLUIJI-ROUUACIJSA-N 398.459 2.582 0 1 GFAF Cc1c(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cnn1-c1nc(O)c2sccc2n1 1857586118 GTKGNRUSIPYYQV-DOMZBBRYSA-N 399.476 2.532 0 1 GFAF Cc1cn2c(-c3cn[nH]c3)cnc2c(=Nc2cc(Cn3cccc3)ns2)[nH]1 1857757779 RKRJYSMZCAUETE-UHFFFAOYSA-N 376.449 2.900 0 1 GFAF CC(=O)N1CCC(NC[C@@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)CC1 2356345448 RFIMOWSXPWDJCE-GOSISDBHSA-N 388.899 2.703 0 1 GFAF CCOC(=O)N1CCN(C(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)CC1 8642544 MGPLWXMMDWAEOO-UHFFFAOYSA-N 385.445 2.657 0 3 GFAF CC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCCO3)OCCO4 101344830 KXDJXTGNHSILFD-HDICACEKSA-N 379.412 2.972 0 1 GFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 2356292248 FSZJBTPFNLNXMX-WNRNVDISSA-N 395.377 2.722 0 1 GFAF C[C@H](CCO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118925215 SLNNQUHVOGVMBG-ZTSBSJDLSA-N 380.569 2.966 0 1 GFAF C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2356506441 CSKIDXJFNAYMTR-LNWKRICUSA-N 390.520 2.575 0 1 GFAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NCc2ccccc2Cl)C[C@H]1O 2356761386 DLDNZRQBZHTLKQ-RAUXBKROSA-N 387.911 2.698 0 1 GFAF O=C([C@@H]1C[C@H](Oc2cccc(Cl)c2)CN1)N1CCCN(C2CCC2)CC1 72181618 CYVDMGAAGFJWCN-OALUTQOASA-N 377.916 2.536 0 1 GFAF CN[C@@H](C)C(=O)Nc1nc2c(s1)CCCC[C@H]2C(=O)NCc1ccccc1 45244855 IGWDIUYQUQJIRL-DZGCQCFKSA-N 386.521 2.816 0 1 GFAF Cc1cc(S(=O)(=O)N2CCc3c(nc(C(C)(C)C)n3CC3CC3)C2)no1 1911578599 RNZIBZFYRWYBOV-UHFFFAOYSA-N 378.498 2.634 0 1 GFAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(COC)nc12 137544765 RBLGHXBHKAXSQT-UHFFFAOYSA-N 381.415 2.669 0 1 GFAF CC(C)n1cnc2c(N[C@@H](CO)c3ccccc3)nc(N3CCC[C@H]3CO)nc21 95607466 UVDXAWIPPFJUKV-IRXDYDNUSA-N 396.495 2.514 0 1 GFAF CCS(=O)(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 146478902 LLGGBSASIYAINF-UHFFFAOYSA-N 382.449 2.631 0 1 GFAF COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)c(OC)c(O)c(C=O)c1O2 238776330 CUTKOMMVYWFNIB-UHFFFAOYSA-N 388.328 2.862 0 1 GFAF O=C(Cc1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12)OCc1ccsc1 377813863 QHMGYGDDRLRYJB-UHFFFAOYSA-N 375.817 2.731 0 1 GFAF Cc1ccccc1C(=O)NCCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1 299847965 XRRAYMJTJDQNKC-SFHVURJKSA-N 388.515 2.949 0 1 GFAF COC(=O)C(=O)C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597319 YHQQSTRWLCMRMI-UTKZUKDTSA-N 384.384 2.881 0 1 GFAF O=S(=O)(N[C@H](c1ccccc1)c1nc2cncnc2[nH]1)c1ccc(F)cc1 587170794 KBNCRBMDVROBAV-MRXNPFEDSA-N 383.408 2.560 0 1 GFAF C[C@]1(c2nc3nc(Br)c[nH]c-3n2)C=C(c2ccccc2F)NO1 587155145 IALOAUHFPBDART-OAHLLOKOSA-N 376.189 2.997 0 1 GFAF Cc1nn(C)c(C)c1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582598 QDDPFGGWEUJYFS-UTKZUKDTSA-N 394.383 2.684 0 1 GFAF COC(=O)c1cc(OC)cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963234672 VEKJSTASYQUFSM-UXHICEINSA-N 392.411 2.718 0 1 GFAF CCOC(=O)[C@H](C)[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230316 XKCIZKIEFMUCDP-XIWSCHCOSA-N 396.365 2.791 0 1 GFAF COc1cc(Cc2nc3c(N)ncnc3n2CC2CCC2)cc(OC)c1OC 13839093 CMSVVQHRYVSABP-UHFFFAOYSA-N 383.452 2.825 0 1 GFAF CCOC(=O)[C@H]1C(C(F)(F)F)=Nc2ncnn2[C@H]1c1cc(OC)ccc1OC 169690642 UDGNMZFZZALZLC-OLZOCXBDSA-N 398.341 2.712 0 1 GFAF CCONc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(C)c3)c2)n1 169693447 IDAFQOYRMFWOSD-GOSISDBHSA-N 395.463 2.915 0 1 GFAF O=C(NC1CC1)c1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3CO)nc12 169704154 RHFCOBKLSNCFAP-SFHVURJKSA-N 395.438 2.594 0 1 GFAF O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2[C@@H]1C1CCOCC1 201383606 VRGCOPCYTKOSEK-QFIPXVFZSA-N 386.536 2.824 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC=C2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C 2356429057 ILGDWQQRRLHSBQ-UUEKLWOTSA-N 376.449 2.818 0 1 GFAF Cc1ccc(S(=O)(=O)n2ncc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 6769850 YEOMSAIOAXBEJA-UHFFFAOYSA-N 377.466 2.722 0 1 GFAF CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2c(C)nc3ncccn23)s1 20915520 JNRKNBKTFVRZON-ZDUSSCGKSA-N 383.477 2.826 0 1 GFAF COc1ccc(O[C@@H]2COCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 2356298979 ODIXGJQJEYENCA-KRWDZBQOSA-N 397.880 2.817 0 1 GFAF COC(=O)N1CCc2cc3c(cc2[C@H]1c1cc(OC)c(O)c(OC)c1)OCO3 26479614 XVOCYWMZZOGIKO-GOSISDBHSA-N 387.388 2.852 0 1 GFAF CC=C1CN2CC[C@]34c5ccccc5N(C(C)=O)[C@@H]3[C@@H](COC(C)=O)[C@H]1C[C@@H]24 2356592926 PTRWORWVJKGZCI-HYYNZMQPSA-N 380.488 2.893 0 1 GFAF CC(=O)O[C@@H]1C2=C([C@@H]3OC(=O)C(=CO[C@H]4C=C(C)C(=O)O4)[C@H]13)C(C)(C)CCC2 2356680333 DLRIUVHQJRZTMZ-JOCBIADPSA-N 388.416 2.710 0 1 GFAF COc1c2c(cc3c1OCO3)[C@H](c1cccc3c1OCO3)[C@@H]1C(=O)OC[C@@H]1C2 2356787131 UFEZQYFXESTBRQ-HKJPBSJPSA-N 382.368 2.630 0 1 GFAF CCOc1cc2c(cc1O)CCN1C=c3c(OCC)c(OCC)ccc3=C[C@@H]21 2356848677 PHIJQDHVVSVVBK-IBGZPJMESA-N 381.472 2.720 0 1 GFAF CNc1nc2cc(-c3cccc(CNCC(N)=O)c3)sc2n2c(C)cnc12 28950768 NESVCOQUFDGZKO-UHFFFAOYSA-N 380.477 2.536 0 1 GFAF NC(=O)Nc1sc(-c2ccc(OCCOCC3CC3)cc2)cc1C(N)=O 40379252 KNPVGHQASYMLOB-UHFFFAOYSA-N 375.450 2.810 0 1 GFAF CCCC[C@H](O)[C@H](O)/C=C/C=C(/CCCCCCCC(=O)O)C[C@H](O)CO 85490924 VNDAARHBSHHHLS-HFDDFEBKSA-N 386.529 2.940 0 1 GFAF biogenic,in-vitro O=C1COCCN1CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143446235 XKRXPLUOTRHVSL-LJQANCHMSA-N 393.361 2.703 0 1 GFAF CCC(=O)N1[C@H](CN(CC)C(=O)NC2CCCC2)[C@@H](c2ccccc2)[C@@H]1CO 95895116 XYWKURXRWWUHGZ-SVFBPWRDSA-N 387.524 2.726 0 1 GFAF CCOC(=O)c1c2[n+](cc3c4c(ccc13)OCO4)CCc1cc3c(cc1-2)OCO3 299825826 KJARYHUAVAFVAO-UHFFFAOYSA-N 392.387 2.985 0 1 GFAF CCOc1nc(N2CCOCC2)sc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587413443 OBDZQXBHBWUYGZ-HNNXBMFYSA-N 389.477 2.976 0 1 GFAF O=C(C[C@H]1CC[C@@H](c2nnn3cnc4[nH]ccc4c23)CC1)NCC(F)(F)F 1772622161 NKVFBGZJEKEROP-PHIMTYICSA-N 380.374 2.948 0 1 GFAF CCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(OC)c3)cc2)C1=O 1772579500 WPYFMVFIWMXCDZ-UHFFFAOYSA-N 376.434 2.725 0 1 GFAF COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2OC)cc1)C(C)C 13534674 UVIHZDFNAMLPGD-SFHVURJKSA-N 377.462 2.838 0 1 GFAF C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2F)cc1)C(F)(F)F 13760131 XMTZARBQNINRNK-HNNXBMFYSA-N 391.342 2.910 0 1 GFAF CC(C)c1cc(NS(C)(=O)=O)cc2c(C(N)=O)c(NC(=O)C3CC3)sc12 1857653212 XWUAKNMCWIMUKI-UHFFFAOYSA-N 395.506 2.844 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](Cc4occc4[C@@]3(C)O)[C@]12C 2356411624 USEOLSCIUKXXRY-JEFQBKAKSA-N 392.492 2.529 0 1 GFAF CN1CCN(c2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C4CC4)c3n2)CC1 4238517 LTRPLLCODTZIDB-UHFFFAOYSA-N 396.882 2.594 0 1 GFAF CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 103108531 QUDLZXRYDTUMMH-DQUFGQPPSA-N 385.460 2.882 0 1 GFAF CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 2356439244 JWHQEKGZLNROPP-BBWFWOEESA-N 379.526 2.814 0 1 GFAF COc1ccccc1[C@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C 104041520 JEAXPGXATCYXBV-HNNXBMFYSA-N 387.395 2.631 0 1 GFAF CCO/C(O)=C1\C(COCCN)=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1F 29416261 LMTRFDCZKQRTOU-DMEQXSTQSA-N 392.427 2.592 0 1 GFAF O=c1[nH]cccc1-c1nc2c(CNCc3cccnc3)cc(-n3ccnc3)cc2[nH]1 28893634 XLJIJALJWOLGLG-UHFFFAOYSA-N 397.442 2.789 0 1 GFAF COC(=O)C=C1CC[C@@H]2[C@H]([C@@H]1C)[C@H](O)C(=O)[C@@H]1[C@@](C)(C(=O)OC)CCC[C@@]12C 2356589766 RRPIJHDEEYGWIX-DOUJPQPPSA-N 392.492 2.677 0 1 GFAF CCOC(=O)c1c(-c2ccc(OC(F)(F)F)cc2)[n+]([O-])c2ccccc2[n+]1[O-] 40394038 ZTXWPNDLMQSXEJ-UHFFFAOYSA-N 394.305 2.849 0 1 GFAF CN1CCC[C@H]1COC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 82084991 BOCKCNIWCWWHHB-SFHVURJKSA-N 393.443 2.862 0 1 GFAF COC[C@@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CC[C@@H](C)O2 96019144 MBUAWLUNGDFCST-ZBFHGGJFSA-N 380.510 2.626 0 3 GFAF C[C@@]12CC[C@H]3[C@](CC[C@@H]1C1=CC(=O)OC1)(CC[C@]1(O)C[C@@H](O)CC[C@]31C)C2=O 95914262 YWDQEEZIAVKYSZ-SHRRHQSWSA-N 388.504 2.927 0 1 GFAF biogenic,in-vitro COc1cc2ncnc(N3CCN[C@@H](c4ccccc4OC)C3)c2cc1OC 96168415 OUFNJXGYBQHBRF-QGZVFWFLSA-N 380.448 2.807 0 1 GFAF COC[C@H](O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OC)CC1=C[C@@H]3O 238753677 GIRBZGMOKYPJOD-CMUPCZPVSA-N 394.552 2.529 0 1 GFAF C=CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccc(OC(F)(F)F)cc1 618020254 SAFLPWYIWSYQCZ-OKILXGFUSA-N 376.400 2.707 0 1 GFAF Cc1ccc(C)c([C@H]2C=C(c3c(O)n(C)c4ccccc4c3=O)NC(=O)NN2)c1 68591766 VMTCPKSAUFGTTG-MRXNPFEDSA-N 390.443 2.761 0 1 GFAF biogenic CCCc1c(O)ccc2c1O[C@@H](CNC(=O)CCCC(=O)OCC)CC2=O 587470001 KESBBGDNHGIPGC-CYBMUJFWSA-N 377.437 2.528 0 1 GFAF COc1cc([C@@H](O)[C@@H](C)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O 1772587706 QWCGMGGKYDSASC-IJVJVEAYSA-N 390.432 2.924 0 1 GFAF CCNCCCn1c2c(c3ccc(F)cc3c1=O)C(=O)c1cc(OC)cnc1-2 1772609602 VRXVSWVQXIEINY-UHFFFAOYSA-N 381.407 2.755 0 1 GFAF COc1ccc(OCc2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)n[nH]2)c(Cl)c1 12305161 SYPDFDYSKOGVNK-TXEJJXNPSA-N 379.844 2.900 0 1 GFAF CCCCCn1nnnc1[C@H]1c2ccccc2OCC(=O)N1Cc1ccco1 203465597 HYTNBJIQAAFGQZ-LJQANCHMSA-N 381.436 2.967 0 3 GFAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 4593137 ZZTMQFYXUCRZOR-SLDRDFCHSA-N 395.436 2.766 0 1 GFAF COCCn1cc(C(=O)NCc2ccc(C)o2)c2c3ccccc3n(C)c2c1=O 2466297 WZSJYVXKWJZOBD-UHFFFAOYSA-N 393.443 2.971 0 1 GFAF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC 4295953 ANQWKEPJVMYPQU-TZIWHRDSSA-N 398.459 2.948 0 1 GFAF CN(C)C1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 58575907 OSTZVHOHQKFEFE-NRFANRHFSA-N 394.498 2.976 0 1 GFAF O=c1/c(=C\c2ccccc2)sc2n1[C@H](c1ccccc1)[C@]1(O)CCCC[C@H]1N=2 105524297 LARPIEDAGFXNSD-NDAYYHHISA-N 390.508 2.635 0 1 GFAF CS[C@H]1NC(=O)[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)NC1=O 14443978 OUPACRHVFRGERT-SJLPKXTDSA-N 380.535 2.569 0 1 GFAF biogenic CCOc1cc(CCNc2nc(N(C)CCN(C)C)ncc2C)ccc1OC 82202810 SMSNXBOXBVGSKE-UHFFFAOYSA-N 387.528 2.845 0 1 GFAF CN1CCN(C(=O)c2ccc(-c3nc4ccc(O)c(C=O)c4s3)cc2)CC1 199612519 MARORYYSQQMIOF-UHFFFAOYSA-N 381.457 2.869 0 1 GFAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cc1Cl 148068756 ZLXHIEUKKOWKTQ-QWHZDKJVSA-N 385.899 2.950 0 1 GFAF CCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95875136 RVOKLENHAKIBKK-FUDKSRODSA-N 379.504 2.910 0 1 GFAF NS(=O)(=O)c1ccc(-n2nc(-c3ccc4ccccc4c3)cc2CO)cc1 95590231 NQJIPJCUNGQYHO-UHFFFAOYSA-N 379.441 2.832 0 1 GFAF CN1C(=O)[C@@H]2C[C@@H]3[C@@H]4Nc5ccc(Cl)cc5C(C)(C)[C@H]4CN3[C@@H]2N(C)C1=O 254012062 LEEFVVZQTDQNSU-GIDYTXSJSA-N 388.899 2.582 0 1 GFAF c1ccc(CN[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@H]23)cc1 36368477 RLHWYBNVSMIEOK-PIKOESSRSA-N 394.500 2.942 0 1 GFAF biogenic CNc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc(OCC(F)(F)F)n1 68572899 GXVBIQNHAXSFIP-UHFFFAOYSA-N 389.334 2.624 0 1 GFAF biogenic CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc3ccccc3c2)nc1O 299816526 FOGRSJLAYPXSFR-UHFFFAOYSA-N 386.455 2.719 0 1 GFAF N=c1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c[nH]1 586958112 CZHVKYVIUGQZQG-JOCHJYFZSA-N 379.283 2.873 0 1 GFAF COc1ccc2c(C)c(CCc3nc4c(O)nc(S)nc4[nH]3)c(=O)oc2c1C 586918954 UJLJZELODRWFJK-UHFFFAOYSA-N 398.444 2.864 0 1 GFAF CC(C)(C)NS(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)nc1 587654826 NLAHJJNBUACBDE-UHFFFAOYSA-N 392.868 2.511 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCC(=O)N(C)C)c1)[C@@H](C2)C3=O 587429170 OHPVIYINSXYXLJ-JTSKRJEESA-N 381.428 2.825 0 1 GFAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc4c(cn3)OCCO4)N12 962667494 NBOJZHBKTWRGNI-UGKGYDQZSA-N 391.427 2.589 0 1 GFAF CCN(C(=O)C1=CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)c1ccccc1 13493905 KKIJXZYEIUZUKF-LJQANCHMSA-N 390.487 2.976 0 1 GFAF CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccccn3)cc21 169309899 KFMUKZMTBUYCCZ-MUUNZHRXSA-N 391.452 2.768 0 1 GFAF CCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344415 BPECEJDPRFPPQD-ONBYOPHZSA-N 395.499 2.919 0 1 GFAF C[C@]1(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)N=C(N)OC[C@@H]1F 169702951 BJYCZMRWVCPZKH-SUMWQHHRSA-N 397.332 2.704 0 1 GFAF CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCC1 4858829 GJSXWXJHLQMKOD-MRXNPFEDSA-N 387.509 2.974 0 3 GFAF Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3cccnc3)c(C)o2)cc1 4924782 CQVXOIXJCCOCSY-UHFFFAOYSA-N 399.472 2.585 0 1 GFAF CO[C@H]1[C@@]2(C)[C@@H](CC[C@H](OC(=O)/C=C/SC)[C@@H]2C)C[C@@]23OC(=O)[C@@H](C)[C@]12O3 104354403 ULNGGZOBSDELFB-VLTXYYFZSA-N 396.505 2.904 0 1 GFAF in-man COc1ccc(CCNC[C@H](O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC 28018665 BEZXHPWSRAUJBW-SFHVURJKSA-N 397.475 2.666 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc(CN3CCOCC3)c1)C2 28334771 AJHYPSJVJVSKDS-OAQYLSRUSA-N 383.444 2.722 0 1 GFAF Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 29125792 UFKZMXWBLTYMBA-GOSISDBHSA-N 385.895 2.769 0 1 GFAF Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CC2CCCCC2)c1 61896331 CAONFAPQAHOMNB-HXUWFJFHSA-N 392.521 2.761 0 3 GFAF COc1ccccc1C(=O)N1CCN2C(=O)N(Cc3ccc(C)cc3)C[C@@H]2C1 2356540627 FDALJYISANWANY-SFHVURJKSA-N 379.460 2.766 0 1 GFAF CC1(C)CCC[C@]2(CO)C3=C(C[C@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3 2356717369 PTADPNLCURKKPJ-SPEDKVCISA-N 386.444 2.980 0 1 GFAF COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)[C@H](C)NC(=O)[C@@]2(C)[C@H]1c1ccccc1 36388989 OOJQSDAVSZGWDX-FIEKLAQCSA-N 392.455 2.648 0 3 GFAF CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)CO)[C@@H]2CC1 70455250 KWIJYAKGYJADGK-PQWGXEMDSA-N 380.525 2.823 0 1 GFAF biogenic,in-vitro Cc1ccccc1Nc1nc2cc(C(N)=O)ccc2n1CCN1CCOCC1 82191445 MGSNNGPYMKPWPS-UHFFFAOYSA-N 379.464 2.519 0 1 GFAF NC(=O)c1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224551165 WCOUUUKJAGBEQY-UHFFFAOYSA-N 380.383 2.814 0 1 GFAF NC(=O)[C@@H]1CCCN(C(=O)CO[C@H](c2ccccc2)c2cccnc2Cl)C1 45324672 BVBNHRUSXRBXKO-CRAIPNDOSA-N 387.867 2.565 0 1 GFAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@@H]3[C@@H]4O[C@H](C[C@](C)(O)C(=O)CC[C@]4(C)OC[C@@H]2C)[C@@H]31 40875102 XZPFJFYBJFLLCW-GNPKCMEXSA-N 394.508 2.503 0 1 GFAF CCCCOc1nc(N)c2nc(O)n(Cc3cccc([C@H](C)C(=O)OC)c3)c2n1 49055744 QYRJPNAQYOAJPI-LBPRGKRZSA-N 399.451 2.618 0 1 GFAF O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cncnc2)c1=O 25410768 CLHCHQWGWNJZDM-WBVHZDCISA-N 378.476 2.831 0 1 GFAF biogenic COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1O[C@@](C)(CO)C=C2 40864693 DNWBCRWFRVKNFW-HRAATJIYSA-N 384.384 2.970 0 1 GFAF biogenic Cc1ccnn1CCc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923970 VMWJRBXRVTWEMY-UHFFFAOYSA-N 376.507 2.954 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)o1 586931271 PJXPHBXGRCEIBR-UHFFFAOYSA-N 388.218 2.975 0 1 GFAF CCN1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OC)C1 587763161 XFJJZCWMRVUMEQ-KQYVJACZSA-N 399.304 2.833 0 1 GFAF CCCn1cnc2cc(-c3nc4c(O)nc(O)nc4[nH]3)cc(Br)c21 587002522 AVMAMBQKTFQPHV-UHFFFAOYSA-N 389.213 2.953 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(N)c(N)cc4[nH]3)CC2)cc1 586955149 LKUSXIPGTSHIDH-UHFFFAOYSA-N 385.493 2.604 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587833949 JCXSJBLWAWBLAF-YOIRWDDOSA-N 386.261 2.917 0 1 GFAF Nc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1CC(=O)O 587249813 NLQRJWQMSIYVHY-UHFFFAOYSA-N 390.193 2.900 0 1 GFAF O=[S@](Cc1nc2c(I)cnc(Cl)c2[nH]1)CC1CC1 586961032 ZQSGYJXPHNVXRI-SFHVURJKSA-N 395.653 2.875 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1n[nH]c2c1CCC2 587869412 HZKFTVWAIFPXOW-UHFFFAOYSA-N 377.326 2.873 0 1 GFAF Cc1ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2c1 587180215 FGCFVGYQFGGXKU-UHFFFAOYSA-N 382.161 2.575 0 1 GFAF CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc(F)cc1 12382680 XJTOZJAEUQGOBW-NTLWEQJWSA-N 394.439 2.769 0 1 GFAF CC(C)OC(=O)[C@@H](C)NC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 209419550 JHMKFFLQDQYMOY-SECBINFHSA-N 398.250 2.992 0 1 GFAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(OS(N)(=O)=O)cc1 1857588683 RRWCEXMTLFAJAV-KRWDZBQOSA-N 393.852 2.620 0 1 GFAF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4053668 KIUONUXAPBRWKD-JFIYKMOQSA-N 383.473 2.625 0 1 GFAF Cn1c(C(=O)O[C@H](C(=O)NC[C@@H]2CCCO2)c2cccnc2)cc2sccc21 4924013 WEKVSVGTEWJQEU-KSSFIOAISA-N 399.472 2.828 0 3 GFAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3cccs3)ccc21 4971522 KOSJFNCOKMVPFD-UHFFFAOYSA-N 376.503 2.916 0 1 GFAF CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 101131579 JBJWLRHFBRZPOP-LBPRGKRZSA-N 383.404 2.590 0 1 GFAF Cn1c(Br)nc2c1C(=O)N1CCN=C1N2Cc1ccc(Cl)cc1 28223004 PGSDQLAZEXIVBP-UHFFFAOYSA-N 394.660 2.668 0 1 GFAF COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 64232036 MRWUPNAGJCBQQD-JFWIRMIQSA-N 395.411 2.591 0 1 GFAF O=c1[nH]c2cc(F)ccc2n1C1CCN(C[C@H]2COc3ccccc3O2)CC1 27894968 LTZMJMTZHDBZET-INIZCTEOSA-N 383.423 2.946 0 1 GFAF COC(=O)[C@H](C(C)C)N(Cc1ccccc1)S(=O)(=O)CCNC1CCCC1 61944725 QZYIOFKZGSKXEN-IBGZPJMESA-N 396.553 2.548 0 3 GFAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(ccc4occc43)nc2-1 28472488 XAKSFKIRXULJAY-QFIPXVFZSA-N 388.379 2.826 0 1 GFAF CC[C@@H](C)[C@H](NC(=O)Cc1c(-c2ccccc2)oc2c(=O)cc(C)oc12)C(N)=O 2356766522 MBAOWNTVDZFHQZ-XIKOKIGWSA-N 396.443 2.920 0 1 GFAF Cc1c2c(cc3c(=O)cc(N4CCOCC4)oc13)C[C@@H](CN1CCCCC1)O2 26577755 MMFIZRDSJFTHKM-KRWDZBQOSA-N 384.476 2.727 0 1 GFAF CCCCN[C]1NC2=C(C[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]2CC(=O)O)S1 2356844823 WCDXFSLEEJUPMV-JCGMFVPESA-N 397.561 2.641 0 1 GFAF c1cc(OCCN2CCOCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 34635619 CAWUSWZDZDROED-UHFFFAOYSA-N 390.447 2.726 0 1 GFAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(OCC)nc12 139404848 LXWBGHJXKKIHGA-UHFFFAOYSA-N 381.415 2.921 0 1 GFAF C[C@@H]1O[C@H](CC(=O)O)Cc2c1c(O)c1c3c(c4n(c23)[C@@H]([C@@H](C)O)CC4)C=CC1=O 13911944 AWMWNWIBOOYESP-YAMSLAJTSA-N 397.427 2.902 0 1 GFAF biogenic,in-vitro Cc1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)nn2c1C 1911582819 JBFSTZFREACAQP-UHFFFAOYSA-N 391.262 2.667 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(F)c1 95794044 YXWKKMWYJNDYCQ-NHCUHLMSSA-N 397.494 2.960 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(CC(C)C)C(=O)c1ccccn1 95895967 JYEONRJNSJJOQW-YPAWHYETSA-N 395.503 2.555 0 1 GFAF O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95893449 KNVYHLTXMAQUKI-PCCBWWKXSA-N 391.471 2.588 0 1 GFAF CC(=O)N1[C@H](CN(CC(C)C)C(=O)c2ccccn2)[C@H](c2ccccc2)[C@@H]1CO 95662139 JYEONRJNSJJOQW-FSSWDIPSSA-N 395.503 2.555 0 1 GFAF CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CC1 95895598 AARISULFZWERSM-YPAWHYETSA-N 396.462 2.694 0 1 GFAF CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 261105028 HHRGFYRLYOYIFM-IYARVYRRSA-N 386.540 2.614 0 1 GFAF COc1cc2c3c(c1)O[C@](C(N)=O)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416451 BIOOVOBPHGLEAW-SCLBCKFNSA-N 388.217 2.586 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN4CCOCC4)cc1)[C@@H](C2)C3=O 587441801 HFQJAGYIIRQTRX-CVDCTZTESA-N 395.455 2.895 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CNS(C)(=O)=O)(c1ccccc1)CC2=O 587486131 LIDXAZQWXBFCNU-FQEVSTJZSA-N 389.473 2.755 0 1 GFAF COc1ccc([C@@]2(CC3OCCO3)NCCc3c(C(=O)O)cccc32)c(OC)c1 963119256 DEVZWABHIDNTME-QFIPXVFZSA-N 399.443 2.554 0 1 GFAF Cc1cn(CCCCOCP(=O)(OC(C)C)OC(C)C)c(=O)[nH]c1=O 13558095 ZDZTXPJVFSJVBU-UHFFFAOYSA-N 376.390 2.642 0 1 GFAF COc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H](O)[C@@H](c1ccccc1O)O2 14648206 XZNFAYXFFDZGJD-AZUAARDMSA-N 386.400 2.998 0 1 GFAF biogenic,in-vitro C[C@H](c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1)N1CC(c2ccc(F)cc2)C1 205448485 ZICYIWODUOLSGV-CYBMUJFWSA-N 397.454 2.611 0 1 GFAF CCOC(=O)[C@H]1CNC[C@@H]1Nc1nc(-c2cc(F)ccc2O)nc2ccccc12 59287711 FMLDBFUXSBWTPY-RDJZCZTQSA-N 396.422 2.705 0 1 GFAF COc1ccc(-c2cn3c(n2)CO[C@H](CNCc2ccc4c(c2)OCO4)C3)cc1 2356603203 BVIFZZHPNADCKW-GOSISDBHSA-N 393.443 2.976 0 1 GFAF Cc1ccccc1[C@H]1CC(=O)N(CCN2CCN(c3ccccc3F)CC2)C1=O 40949345 VMCPEUXFYRXUBH-LJQANCHMSA-N 395.478 2.799 0 1 GFAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3ccnc3)c2F)cn1 224557847 NFVAKIVSMQCAHK-CQSZACIVSA-N 383.427 2.769 0 1 GFAF CCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195068899 BPECEJDPRFPPQD-WECCILKDSA-N 395.499 2.919 0 1 GFAF COc1cc2c(c(OC)c1O)[C@H](c1cc(C)c(O)c(C)c1)[C@H](CO)[C@H](CO)C2 238770728 OELITVVAXWGNQR-LZLYRXPVSA-N 388.460 2.637 0 1 GFAF Cc1cc(C)nc(N[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-n2nccn2)n1 473170604 BCKTWYXNOANCFL-SZVBFZGTSA-N 389.463 2.532 0 1 GFAF Ic1nccnc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587185967 BMKNQRGIQLZCJJ-UHFFFAOYSA-N 394.172 2.786 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ncc[nH]c-3n2)C[C@H]2CCCC[C@H]21 586957759 DYNBQHQVHRNDEJ-BMFZPTHFSA-N 383.477 2.999 0 1 GFAF CCOC(=O)[C@H](Cc1cccc(OC)c1)c1nc2nc(O)nc(O)c2cc1CC 587559198 GASXZJXXGGCJDJ-OAHLLOKOSA-N 397.431 2.896 0 1 GFAF COc1cccc([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807746 MATKNIZDJXWZGQ-MLCYQJTMSA-N 396.256 2.685 0 1 GFAF CCOC(=O)[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587767871 ZCBUYLVEQABSHO-BTDLBPIBSA-N 396.260 2.663 0 1 GFAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(N)ncnc3[nH]2)c1 587051453 XMMYBEQEKAKBEV-VOTSOKGWSA-N 399.842 2.979 0 1 GFAF CCOC(=O)C1CCN(C(C)(C)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 587435294 FFLVCGYRALVPFP-UZLBHIALSA-N 387.476 2.865 0 1 GFAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cccc(OCC(=O)N(C)C)c1 963049028 AHHUZSBWGBTNFY-JOCHJYFZSA-N 391.471 2.946 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCS(=O)(=O)c2c(F)cccc21 963613697 VPINWWLIJSPWQN-FKIZINRSSA-N 391.464 2.798 0 1 GFAF c1cc(CCNCCCN2CCCC2)ccc1CCNCCCN1CCCC1 143750871 HPZYWOGYYOWANP-UHFFFAOYSA-N 386.628 2.923 0 1 GFAF NC[C@H](NC(=O)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1)c1ncc(CO)s1 1772606721 BCGYPAUBMXRDJQ-HNNXBMFYSA-N 394.859 2.853 0 1 GFAF CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2C)C1=O 5797918 VTNGLMQBTUROSU-LFRPXUGBSA-N 387.480 2.547 0 1 GFAF Cc1nc([C@H]2CCCO2)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12 169711653 YAGFLAKLCGEZRM-MRXNPFEDSA-N 377.452 2.514 0 1 GFAF CCS(=O)(=O)N[C@@H]1CCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204987355 ICJMGJBNROMRTB-GOSISDBHSA-N 385.489 2.584 0 1 GFAF CC(=O)OCC1=CCC[C@@]2(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H](C(C)C)[C@H](OC(C)=O)C1 253723711 USLIXTLJRXGPBH-XDWAVFMPSA-N 396.480 2.953 0 1 GFAF COc1ccc(-n2c(S(C)(=O)=O)nc3sc4c(c3c2=O)CCCC4)cc1 28948817 YTUSYAYIPHMVKF-UHFFFAOYSA-N 390.486 2.738 0 1 GFAF COc1cc2nc(N3CCC([C@@H](O)C4CCCC4)CC3)nc(N)c2cc1OC 29225715 BYPGPPJMLKQCRG-IBGZPJMESA-N 386.496 2.997 0 1 GFAF CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(=N)S)c2)c1 29218454 SJLUGNSWLCFURF-UHFFFAOYSA-N 397.508 2.728 0 1 GFAF CO[C@]12C=C[C@@]3(C[C@@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@@H]2O5 29208887 VAGUZCYSBGOWIA-YOCPMGGBSA-N 395.499 2.528 0 1 GFAF CC[C@H](O)[C@H](O)CC=CCC=CCCCCCCCC(=O)OC[C@@H](O)CO 2356577981 YTWKAWSYURUHGL-SLFFLAALSA-N 386.529 2.638 0 1 GFAF COC(=O)CCCCCN1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2109275 XFLGNTIQVDAMNG-OAQYLSRUSA-N 383.448 2.937 0 1 GFAF biogenic CCO[C@]1(Cc2c[nH]c3cc(Br)ccc23)C(=O)N(C)C(=N)N1C 13371057 RNZDQSFDNPIZJE-MRXNPFEDSA-N 379.258 2.544 0 1 GFAF biogenic Cc1ccc(NCc2cccc(F)c2)cc1S(=O)(=O)N[C@@H]1CCN(C#N)C1 45167535 ITIWZFSPZZLCPI-GOSISDBHSA-N 388.468 2.580 0 1 GFAF COc1ccc(-c2cc3ncccc3c(NC[C@H]3CNC(=O)O3)n2)cc1OC 141918727 NSLABESGQJPADZ-ZDUSSCGKSA-N 380.404 2.834 0 1 GFAF O=C(/C=C/c1ccc(F)cc1)O[C@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O 299820973 FGSLQJXNCRNYCT-HRBFATHRSA-N 398.386 2.567 0 1 GFAF Nc1ccn2c1[C@@]1(CNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332404 ACOWEDXPQXHPBL-RXVVDRJESA-N 379.391 2.730 0 1 GFAF O=C(C[C@]1(c2ccco2)N[C@H](C(=O)O)Cc2cccc(F)c21)c1ccccn1 962903692 MSVRHZVVAJKYCF-HRAATJIYSA-N 380.375 2.929 0 1 GFAF NC(=O)c1ccc(N(CCc2ccccc2)[C@@H]2CCCNC2)c2cncnc12 1772647520 QJDCIKHAJGVEOZ-QGZVFWFLSA-N 375.476 2.530 0 1 GFAF COc1ccc(OCCN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)cc1 205942236 HXJGPTHZZPIRKV-QGZVFWFLSA-N 384.476 2.929 0 1 GFAF COc1nc(Br)cnc1NS(=O)(=O)c1ccccc1Cl 1256246844 KOCNDPIFYMPCQO-UHFFFAOYSA-N 378.635 2.702 0 1 GFAF O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 1343265 NSQBMPBMDBMJIB-INIZCTEOSA-N 385.395 2.867 0 3 GFAF CC(=O)O[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC=C(C)[C@@H]3C2)OC[C@@H](O)[C@H]1O 2356400032 NTUCDCCCTFLXCV-PLQJBLPLSA-N 396.524 2.954 0 1 GFAF O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4050501 PGAGIBQZSIFISM-AZUAARDMSA-N 381.432 2.500 0 1 GFAF CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(O)cc2)n2nnnc2N1 4879208 AFLVBFCOCVPOIC-SFHVURJKSA-N 376.420 2.923 0 1 GFAF CNC(=O)[C@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)NCC1CCCCC1 2356536554 XGNBKMKOEVFVQW-PMACEKPBSA-N 387.524 2.643 0 1 GFAF O=C1CC2=C[C@@H](NCCc3c[nH]c4ccccc34)[C@H]3C[C@@]2(O1)[C@H]1CCCCN31 2356739473 DACSTSLWMITFKA-FQOCKNPQSA-N 377.488 2.921 0 1 GFAF NS(=O)(=O)Oc1ccc(NC(=O)NCCc2cccc3ccccc23)cc1 84653849 DSHOYDPDINYHJS-UHFFFAOYSA-N 385.445 2.786 0 1 GFAF CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205711 VZVUZGQLKWIISA-IAGOWNOFSA-N 384.480 2.950 0 1 GFAF COc1ccc(-c2oc3c(c2C(=O)OCCCO)[C@H](OCCO)CCC3)cc1 96020762 PPKUKXCOKSGSLB-MRXNPFEDSA-N 390.432 2.881 0 3 GFAF CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc(Cl)cc2)ccc1=O 25418987 GVTOCAJSLSGRMA-ZBFHGGJFSA-N 385.895 2.676 0 1 GFAF biogenic CC(=O)Nc1ccc(-n2cc(COc3ccc4oc(=O)ccc4c3)nn2)cc1 299825898 CTAROQDHCDNKJA-UHFFFAOYSA-N 376.372 2.911 0 1 GFAF COc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1 586945741 ATKCHJJHZQGTFH-HNNXBMFYSA-N 387.461 2.696 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnnc(O)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238193 BKBASZBGUXJPMC-KRDDEPHXSA-N 389.456 2.614 0 1 GFAF CCOC(=O)Cn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1Cl 587423540 VHWJNKQFIJEGFC-KZULUSFZSA-N 390.823 2.905 0 1 GFAF Cc1c(Br)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)nn1C 587651484 UYMPDDNOOWNGHY-UHFFFAOYSA-N 381.617 2.543 0 1 GFAF COc1cc2c3c(c1)O[C@@](c1ccncc1)([C@H]1CCCN(C)C1=O)[C@@H](C2)C3=O 587445390 WIHBWLQAUSEPNN-HOIFWPIMSA-N 378.428 2.602 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1c[nH]nc1-c1ccc3c(c1)OCO3)NCC2 962930560 YQKYQCCQTSRXIC-NRFANRHFSA-N 390.443 2.742 0 1 GFAF CCCCN1C(=O)[C@@]2(NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962930850 MSFUSXNERULRDO-HSZRJFAPSA-N 377.488 2.924 0 1 GFAF Cc1c(F)ccc2c1[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)NCC2 962296707 HBBJXQLNSKLTCK-MGPUTAFESA-N 378.444 2.959 0 1 GFAF CN1CCN(Cc2cn(S(=O)(=O)c3ccccc3F)c3ccccc23)CC1 1772650445 BRNCKQRQEVEDIM-UHFFFAOYSA-N 387.480 2.765 0 1 GFAF CO[C@@H](C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1)c1ccccc1 12442898 FNVYXTUCXHNOEC-LJQANCHMSA-N 382.464 2.783 0 3 GFAF CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)C1=O 13528013 VRGBKWBCJJVDLE-DENIHFKCSA-N 389.455 2.881 0 1 GFAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc(F)c2)cc1)C(F)(F)F 13760132 WGQLUICMTUFYFZ-OAHLLOKOSA-N 391.342 2.910 0 1 GFAF CCOC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19529795 RJLMGMCXBGHCTN-WCLQXYBISA-N 398.484 2.828 0 1 GFAF COc1ccc(CN2C[C@H]3CN(Cc4cccnc4)CCN3C(C)(C)C2)cc1 2356303352 RQGYXMVYVFHGRI-OAQYLSRUSA-N 380.536 2.871 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1)c1c[nH]c2ccccc12 3591519 CMMPQKAORWTKAU-UHFFFAOYSA-N 397.381 2.613 0 1 GFAF COCCNC(=O)[C@H]1CCCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)C1 6876821 GZBGXGJOYNJWDW-INIZCTEOSA-N 399.520 2.745 0 1 GFAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)N1CCN(C)CC1 59260606 PHOGKWBKNQASCX-ICSRJNTNSA-N 385.556 2.837 0 1 GFAF CC(=O)O[C@@H]1C=CC[C@H](C(C)=CC=C[C@H](C)O)OC(=O)C[C@@H](O)CC[C@H]1C 2356413010 KCPFGCOVIHILBY-MEBIHWHUSA-N 380.481 2.840 0 1 GFAF CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(Cl)cc1 27310323 MGSQIJKBYOYTMF-KGLIPLIRSA-N 383.853 2.637 0 1 GFAF COC(=O)c1ccccc1OCC(=O)NCCc1ccc(OC(F)F)cc1 7096929 VZZPLUWQAVHKOQ-UHFFFAOYSA-N 379.359 2.812 0 1 GFAF biogenic COCCNCc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 45372338 KQEBJWSUXWPHRK-UHFFFAOYSA-N 384.407 2.654 0 1 GFAF COc1cc(C(=O)C[C@H]2C[C@H](O)C[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 1911585351 FIMXVJFMEUADOE-KHYOSLBOSA-N 388.416 2.969 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 86010745 BMPRGPGLZWJNOP-SYTUAPCUSA-N 378.465 2.897 0 1 GFAF in-man NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN[C@H](CF)C3)cc2n1 221617549 YZTZMXSXPRJVLX-QGZVFWFLSA-N 396.441 2.883 0 1 GFAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95895260 NIPDWBSESJFELC-BDTNDASRSA-N 378.472 2.555 0 1 GFAF COc1ccc(-c2cc3ncccc3c(OC[C@@H]3CC(=O)NO3)n2)cc1OC 141918124 ZYYLVPQUUBPENL-ZDUSSCGKSA-N 381.388 2.513 0 1 GFAF CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1 96906123 CLXOYYRURNEZQS-UHFFFAOYSA-N 393.499 2.690 0 1 GFAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 147418245 PPIUQPLWFJXMKZ-XBXGTLAGSA-N 397.476 2.569 0 1 GFAF CN1CCC(Nc2ncc(C(N)=O)c3nc(-c4ccc(Cl)cc4)cn23)CC1 96269925 MHNWMZVHCKXWBT-UHFFFAOYSA-N 384.871 2.655 0 1 GFAF C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2Cl)CC1 618020246 QVDOVGPDBSMQOD-UHFFFAOYSA-N 379.707 2.693 0 1 GFAF CCn1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C2 299822293 NTZNNYUOWHCXTM-UHFFFAOYSA-N 377.448 2.831 0 1 GFAF Cc1ccc(-c2nn(CCN3CCC(CN(C)C)CC3)c3ncnc(N)c23)cc1 653905125 AKSZNKRUJCTEIJ-UHFFFAOYSA-N 393.539 2.658 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006977 VRTOSZXLIWZBHC-UHFFFAOYSA-N 391.250 2.893 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)ncnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238886 HFEAPGITUIYBNM-FKWBGFQESA-N 389.456 2.614 0 1 GFAF Oc1nc2ncccc2n1-c1nc(N2CCC[C@@H]([C@H](O)C3CC3)C2)ccc1F 1772604253 NPNHGCUWUHBIIE-CXAGYDPISA-N 383.427 2.648 0 1 GFAF COc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1 13812834 GSKYUPNZVRXGSJ-UHFFFAOYSA-N 398.366 2.609 0 1 GFAF O=c1[nH]c(O)c(-c2ccc(Oc3ccc(Br)cc3)cc2)c(=O)[nH]1 169718816 WSUZOIWJVYOKBI-UHFFFAOYSA-N 375.178 2.991 0 1 GFAF Cc1cc(C)nc([C@@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)n1 168916434 XFBGUIYBUQWGSO-DGTUHJFCSA-N 398.507 2.700 0 1 GFAF Cc1cc(F)ccc1CN1CCN(c2cnnc(O)c2Br)CC1 1857566945 FNTSFYCCYLXLJQ-UHFFFAOYSA-N 381.249 2.714 0 1 GFAF CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 1857623484 ANIDXNZCYPDMLG-GVFDNUCUSA-N 388.504 2.626 0 1 GFAF CCC(CC)N=c1[nH]c(Nc2cc(N3C[C@@H]4C[C@H]3CN4C)cnc2F)ncc1C 1857746378 LNYVHFPZLPUCOL-IRXDYDNUSA-N 399.518 2.978 0 1 GFAF COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 772850 XLHIEPGBHOTVPK-FPOVZHCZSA-N 396.443 2.654 0 1 GFAF O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)Nc1cccc(F)c1 1343268 NSQBMPBMDBMJIB-MRXNPFEDSA-N 385.395 2.867 0 3 GFAF O=C1NCCN1CCN1CCN([C@H]2C[C@@H](c3ccccc3)c3ccccc32)CC1 26378842 VYMYVEYPDIKLSJ-GOTSBHOMSA-N 390.531 2.906 0 1 GFAF NC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 27525539 POWBBMHTPGQORA-VIFPVBQESA-N 379.819 2.612 0 1 GFAF CC(C)(C)c1n[nH]cc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1 64528455 LVRQXJFWSSIJHJ-UHFFFAOYSA-N 378.484 2.712 0 1 GFAF COc1cc(C2=C(c3c[nH]c4ccc(F)cc34)C(=O)NC2=O)cc(OC)c1OC 45390580 HRUYZDJOLIPWLW-UHFFFAOYSA-N 396.374 2.900 0 1 GFAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1OCCF)Cc1cc2ccccc2nc1-3 84687983 MNUVXMACGXFICH-YADHBBJMSA-N 396.418 2.865 0 1 GFAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CNc3ccn[nH]3)c2F)cn1 224554502 QAIXIRWDFRUETN-ZDUSSCGKSA-N 398.442 2.707 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)c3ccncc3)N(C(=O)CC)[C@H]2CO)cc1 95895912 UEFOLBWVTVSDRS-HUNZNOSRSA-N 393.487 2.610 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cnc(OC4CCC4)nc3)C2)cc1 142278668 UZFHWFXHSHIGKI-AWEZNQCLSA-N 382.464 2.873 0 1 GFAF C[C@@]12C[C@@H]3Cc4nc5cc(Cl)ccc5c(N)c4[C@@H](C1)[C@H]3N2S(C)(=O)=O 261101103 GIBJSDQKBFLJLP-BUDJLTQYSA-N 377.897 2.923 0 1 GFAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(O)nc(=N)[nH]c2[nH]1 587033951 CRWQRSRUKPSXHD-SNVBAGLBSA-N 382.449 2.957 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3c(S)nc(S)nc3[nH]2)CCC(O)CC1 587237797 XUMKZDGMQJODCY-UHFFFAOYSA-N 397.526 2.585 0 1 GFAF Nc1ncnc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c12 587006510 OXZDOFYWDPKOEB-UHFFFAOYSA-N 397.236 2.575 0 1 GFAF COc1cccc([C@H]2C=C(c3ccccc3)NN2C(=O)CCC(=O)O)c1OC 957698184 CUHQWFDSGILUCX-QGZVFWFLSA-N 382.416 2.998 0 1 GFAF CNc1nc(C[C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ns1 962978495 RLUGNGUMJIBMCL-BJOHPYRUSA-N 388.827 2.568 0 1 GFAF C[C@]1(O)OC(=O)C(c2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 13488608 YZVGEGYNFZFQAF-SFHVURJKSA-N 380.368 2.544 0 1 GFAF CCC(CC)CN1C/C(=C2/SC(=O)NC2=O)c2ccccc2S1(=O)=O 3630091 XDOISGAMVJBJLA-SQFISAMPSA-N 380.491 2.821 0 1 GFAF COc1cc([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)cc(Br)c1O 1857576212 FKETVBZZCOJGKM-STQMWFEESA-N 392.209 2.586 0 1 GFAF CCOC(=O)C[C@@H]1CCc2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc2O1 3982108 JQLSHBZNJIJYPF-KRWDZBQOSA-N 381.432 2.870 0 1 GFAF COc1c2c(cc3c1[C@H](CC1=CC(N)=C4C=CC=C[C@@H]4N1C)N(C)CC3)OCO2 2356818463 DUAYJLHUITVMLT-OALUTQOASA-N 393.487 2.880 0 1 GFAF CN1OC[C@@H]2CN(C(=O)C(C)(C)C)[C@H](c3cccc(N4CCOCC4)c3)C[C@@H]21 61943084 CCDZWHDLVAFEGX-IHPCNDPISA-N 387.524 2.705 0 3 GFAF CC(C)(O)[C@H]1CC[C@](C)(C=CC=C(CC(=O)c2cc(O)ccc2O)C(=O)O)O1 2356861347 UHWQEZRJCQBGPF-NQIIRXRSSA-N 390.432 2.946 0 1 GFAF NCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085303 QPTCNBGKRMUWQJ-AWEZNQCLSA-N 379.869 2.570 0 1 GFAF NCCCNc1nc(Nc2ccc(C(F)(F)F)cc2F)c2c(=O)[nH]ccc2n1 45167662 UKSXABKBZLVKHW-UHFFFAOYSA-N 396.348 2.980 0 1 GFAF COc1cnccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 225057865 LKXNJEMOEGCOBF-UHFFFAOYSA-N 393.428 2.896 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]1CNC(C)=O 95895055 VHZPWRJIRZNYCG-KCZVDYSFSA-N 384.451 2.694 0 1 GFAF CCO[C@H]1[C@@H]2C[C@H]([C@H](C)O)[C@@H]3N1CCc1c([nH]c4ccccc14)[C@]3(C(=O)OC)C2 141564764 ZCNBXQWUBWONCS-ZDAUBLGUSA-N 398.503 2.589 0 1 GFAF COC(=O)/C=C1/CC[C@@H]2[C@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 263591388 AHLOUXATKVXJKD-HHXUKWOVSA-N 392.467 2.940 0 3 GFAF Cc1cc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n(C)n1 299859388 XICJCDGEJSUKCI-MRXNPFEDSA-N 380.452 2.646 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C(O)O)N1 587731330 LJTDCUNMCYFJBG-HUTHGQBESA-N 384.220 2.816 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(n2)NC(=O)CO3)N1 587798299 ZTPKFXXTDVUVGH-ZKANADHPSA-N 392.228 2.938 0 1 GFAF CN1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C(F)(F)F)N1 587557431 ROQDFWXIDIDVLJ-TWLYDYHNSA-N 394.349 2.720 0 1 GFAF COc1ccc(C[C@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1OC 587927103 RMOXWGOZYKXDLT-NSHDSACASA-N 375.450 2.574 0 1 GFAF CCc1cc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)n[nH]1 963147107 NWJYYKCIDJAHAF-STQMWFEESA-N 378.454 2.764 0 1 GFAF NS(=O)(=O)c1ccc(-c2ccc([C@@H]3NCCc4c(C(=O)O)cccc43)o2)cc1 963125769 ULOMHXMKRAJSMC-LJQANCHMSA-N 398.440 2.527 0 1 GFAF COC(=O)C[C@@]1(Cc2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219658 HUOABZWZRIAWMU-NFBKMPQASA-N 390.439 2.835 0 1 GFAF Cc1cc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1-n1cnnc1 962731223 QHLRWSDZTCCCKY-IRXDYDNUSA-N 389.381 2.743 0 1 GFAF C[C@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC[C@H](Oc2ncccn2)C1 1772640188 AVHKQLOHKFYOJJ-HIFRSBDPSA-N 395.467 2.651 0 1 GFAF CC(C)OC(=O)[C@H](Cn1cncn1)NC(=O)c1ccc(-c2ccccc2)cc1 1772639143 KRTKRLZPLFLEGJ-IBGZPJMESA-N 378.432 2.695 0 1 GFAF C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)C1 5004271 MFQZNXAZFXEUSJ-HZPDHXFCSA-N 396.491 2.627 0 3 GFAF aggregator CN(C(=O)CCCN1CCCC1=O)[C@@H]1CCCN(Cc2ccccc2F)C1 11840310 HGSUQLIMCIMDFH-GOSISDBHSA-N 375.488 2.651 0 3 GFAF Cc1cc(=Nc2nc(C[C@H](C)NC3CC(C)(C)NC(C)(C)C3)ns2)[nH]o1 1857765853 MSUHYZRTNZELSO-NSHDSACASA-N 378.546 2.830 0 1 GFAF COc1cc(OC)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1NC(C)=O 4241547 WCESRWVTCVMYMU-LBPRGKRZSA-N 390.461 2.802 0 1 GFAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccc(F)c(F)c2)COC1 2356299085 VYJMOPCOXKJERP-CQSZACIVSA-N 387.386 2.962 0 1 GFAF CC(C)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(Cl)cc1 7158614 ZOELWKCNBBHPTL-INIZCTEOSA-N 397.903 2.622 0 3 GFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(O)n(-c2ccc(F)cc2)n1 101564377 ROAFLPVRRUYQMT-INIZCTEOSA-N 383.379 2.971 0 1 GFAF CC(C)(C)c1ccc(S(=O)(=O)CCNc2ccc(S(N)(=O)=O)cc2)cc1 28571014 YRDLWMVIQTZWJX-UHFFFAOYSA-N 396.534 2.517 0 1 GFAF COC(=O)c1ccc(CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)o1 103693970 ILOKILBRXMPTPC-UHFFFAOYSA-N 382.401 2.732 0 3 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cnoc4-c4ccccc4)C[C@@H]3C2)n1 116821751 YUZRTVCIPAHBMU-QZTJIDSGSA-N 389.459 2.957 0 1 GFAF O=C(CCCCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1 28875255 FZCSOEUVFBOQOT-UHFFFAOYSA-N 388.445 2.736 0 1 GFAF C[C@H]([C@@H](O)c1ccc2c(c1)CNC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 28952081 LIIMZDKZANZWFU-JLTOFOAXSA-N 399.466 2.866 0 1 GFAF CC1CCC(NC(=O)CN2C(=O)[C@H]3CCCN3c3ncc(Cl)cc32)CC1 20465173 IFTGTOYRNNATML-PESDSKBTSA-N 376.888 2.745 0 3 GFAF aggregator COc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c2c1C[C@@H](O)C(C)(C)O2 2356696049 HBVJMJOHVSAELT-QGZVFWFLSA-N 384.384 2.954 0 1 GFAF CCN[C]1N=C(N2CCOCC2)NC(N(c2ccccc2)c2ccccc2)=N1 2356838347 JZHLQFJINVGODS-UHFFFAOYSA-N 377.472 2.529 0 1 GFAF CN1C[C@H](CN2CC(=O)NC2=O)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c34)C[C@H]21 34800947 ORDDZLUAKWOQJR-VVFCZOMOSA-N 394.519 2.977 0 1 GFAF O=C([C@@H]1C[C@H](Oc2ccc(Cl)cc2)CN1)N1CCCN(C2CCC2)CC1 72181493 OQKSKCQEXCCVNW-OALUTQOASA-N 377.916 2.536 0 1 GFAF CC(C)(CC(=O)Nc1c[nH]cc(C(=O)O)c1=N)NC(=O)CCC1CCCCC1 1911574827 OMPCWHSCHKZNFX-UHFFFAOYSA-N 390.484 2.776 0 1 GFAF COC(=O)C1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40407083 VZLQNHCGCBIYPB-OAQYLSRUSA-N 379.460 2.999 0 1 GFAF COc1cccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)c1 49088929 CITBQIXVMWSDQL-UHFFFAOYSA-N 393.491 2.718 0 1 GFAF CCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c2c1 40975446 HSBCTZVNKSVZPE-UHFFFAOYSA-N 399.476 2.857 0 1 GFAF C/C=C1/CN(C)[C@H]2Cc3c(n(C)c4cc(OC)ccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 85772470 SCEZUKWTQWFYLN-SJLJAKESSA-N 396.487 2.982 0 1 GFAF CCCC[P@](=O)(O)C1=CC[C@H](NC(=O)CNC(=O)c2ccccc2NC)C1 95591727 XDGOIVOUEFGHHV-AWEZNQCLSA-N 393.424 2.691 0 1 GFAF CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCCC1 95797373 ZSECDKJMHWJAGK-UXHICEINSA-N 399.535 2.726 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3nccc(C(F)(F)F)n3)C2)cc1 142231025 CPUXZQBEELNIND-NSHDSACASA-N 380.370 2.960 0 1 GFAF O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 95893297 MGXVPKHTBGRHQO-SLFFLAALSA-N 380.419 2.551 0 1 GFAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1ccc(-c3cccs3)c(=O)n1C2 25232591 HNUKPTOSPZTCJT-KGLIPLIRSA-N 378.519 2.736 0 1 GFAF biogenic CC[C@H](CC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 98082052 DAHUDWNJZDCYTQ-CYBMUJFWSA-N 391.518 2.731 0 1 GFAF COc1cc2c3c(c1)O[C@]1(CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H](C2)C3=O 587435173 DGNZXONCKPVAJF-MGOULQTBSA-N 387.432 2.985 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C(=O)c3ccc(C(=O)O)cc3)CC1)O2 587395197 LRDZQVLVIMYTHT-UHFFFAOYSA-N 394.427 2.916 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3C[C@@H](C(=O)O)CC3=O)c1)O2 587395829 OQBGPYRSCYWTKH-XMHCIUCPSA-N 394.427 2.895 0 1 GFAF O=C(c1cccc(Cl)c1)N1CCC(=O)N([C@@H](CO)Cc2ccccc2)CC1 13111159 FTQQEQSHKIZFQO-LJQANCHMSA-N 386.879 2.618 0 3 GFAF C[C@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)[C@@H]1C 13115631 RXYOYKPUJVQAKL-LBOSBVAVSA-N 393.434 2.673 0 1 GFAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4ccc(C5CC5)nc4C3)ncnn12 169711706 WFXLUOKMXKHCQZ-MRXNPFEDSA-N 376.464 2.772 0 1 GFAF CN1Cc2cc(C(=O)N(C)Cc3cc4ccccc4n3C)ccc2NCC1=O 589756 WOHJDBQRHPBJCQ-UHFFFAOYSA-N 376.460 2.834 0 1 GFAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 767799 KIUONUXAPBRWKD-SOLBZPMBSA-N 383.473 2.625 0 1 GFAF CCOC(=O)[C@@](NC(=O)c1ccccc1)(OCC1(CC)COC1)C(F)(F)F 3103161 FXWCHPIFGPJLMO-QGZVFWFLSA-N 389.370 2.681 0 3 GFAF Nc1cc(C(=O)N2CCCC2)cn2nc(-c3ccc(Br)o3)nc12 3991477 UCJICYRCCGGBIG-UHFFFAOYSA-N 376.214 2.570 0 1 GFAF C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 4328236 GWOMEUXCLIGNII-LZDPXWSZSA-N 390.524 2.652 0 3 GFAF COc1ccc2c(c1)CN(C(=O)COCc1ccccc1)CC[C@@H]1COC(=O)N21 2356290231 MIDAWRITEPUDQD-GOSISDBHSA-N 396.443 2.970 0 1 GFAF C/C1=C/C(=O)O[C@@H](C[C@@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C\CC1 101653975 JDROCHDFKUSVDQ-ZQXNTEPESA-N 397.537 2.938 0 1 GFAF COc1cc2c(c3c1OCOC3)CN1CCc3cc4c(c(OC)c3[C@@H]1C2)OCO4 2356569109 IPXXTRCJTVBMQB-INIZCTEOSA-N 397.427 2.955 0 1 GFAF NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)COC1 113656213 NPOMRTKJJJPJGY-KRWDZBQOSA-N 380.782 2.679 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C[C@@H](C)[C@@]2(OC)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356773870 KZMMOGWSMBTTFY-XOIYUPORSA-N 392.448 2.546 0 1 GFAF COC(=O)C[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCCCCC1 40465163 WJUUHOHVFWTNLD-OAHLLOKOSA-N 379.453 2.725 0 1 GFAF O=C(NCc1ccc(S(=O)(=O)c2cccnc2)cc1)c1cc2cnccc2[nH]1 96282769 JPVFMZPYWKTHTC-UHFFFAOYSA-N 392.440 2.721 0 1 GFAF CCCNC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O 95894860 BRJDXNPJZHGCOW-PWRODBHTSA-N 385.508 2.638 0 1 GFAF NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144736312 LTASFVMKXRIDCK-LPHOPBHVSA-N 390.361 2.555 0 1 GFAF CCNc1ncnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 261113556 IJYWEYYNIIIKRC-SUMWQHHRSA-N 387.459 2.902 0 1 GFAF CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)C1 299880634 MPVPPQZRPZUUSS-DZJNRPSUSA-N 375.517 2.505 0 1 GFAF N[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(F)cc1F 587149359 FJINDIMWLLGMCF-AWEZNQCLSA-N 382.374 2.949 0 1 GFAF Cc1cncc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 587001809 HLHDXJMBWOTIJQ-UHFFFAOYSA-N 387.237 2.997 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](C)NC(=O)CCC(=O)O)O2 587386388 ISAOBEVIFLPAHE-PEBXRYMYSA-N 396.443 2.807 0 1 GFAF Sc1nc(S)c2nc(-c3nc(Cl)cnc3Br)[nH]c2n1 587005388 GSENJVCSCUKFLR-UHFFFAOYSA-N 375.664 2.803 0 1 GFAF COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@]12NCCc1c(C)ccnc12 963070664 PMFLIJRINXAJKM-HXUWFJFHSA-N 382.851 2.947 0 1 GFAF COc1cccc([C@]2(c3ncco3)NCCc3ccc(C(=O)N(C)C)cc32)c1 962930178 KZPZPHDQSWYZJS-QFIPXVFZSA-N 377.444 2.823 0 1 GFAF COC(=O)c1c[nH]c2cc(CN3CCN(c4ccc(F)cc4)CC3)ccc2c1=O 1772589382 KDWCLIJZBPLUOY-UHFFFAOYSA-N 395.434 2.776 0 1 GFAF CCCCN(CC(=O)NC(C)C)C(=O)CCCCCN1C=CN(C)/C1=C\N=O 1772640927 IQUWKCQRAGMSIQ-XDJHFCHBSA-N 393.532 2.984 0 1 GFAF NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(C(F)(F)F)cc2)cc1 13803956 DRJJNSWSNAOHJN-UHFFFAOYSA-N 384.335 2.764 0 1 GFAF COc1ccc2c(c1OC)CN1[C@@H](C(=O)O)Cc3cc4c(cc3[C@H]1C2)OCO4 1857559294 VODKHENZNPOMEU-HZPDHXFCSA-N 383.400 2.541 0 1 GFAF CN[C@H](C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C(C)C 2356325094 MXXFZXJSHIUFOL-YADHBBJMSA-N 395.547 2.659 0 1 GFAF NC(=O)C1CCN(C(=O)CSc2c3c(nc4ccccc24)CCCC3)CC1 6746204 BHSVXUFKDITGOF-UHFFFAOYSA-N 383.517 2.930 0 1 GFAF CC(=O)Nc1ccc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@@H]3C2)cc1 2356287920 SDNOAKDJBXXYAF-NRFANRHFSA-N 396.466 2.906 0 1 GFAF Cc1nc(N2CCOCC2)c2nc(-c3ccccc3)n([C@@H](C)CN(C)C)c2n1 7991845 IJAKWMKRPYLNJT-HNNXBMFYSA-N 380.496 2.761 0 1 GFAF CN(C)CCN(C)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 58582145 BYOPCIIIMROPRL-UHFFFAOYSA-N 392.507 2.852 0 1 GFAF COCCOc1nc(C2CC2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103246901 ACMDXKZEHRFMAQ-CHGPLWTDSA-N 392.521 2.715 0 1 GFAF COc1cc([C@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)cc2c1OCCO2 103282821 VUDXYLUTAZGKHJ-XLIONFOSSA-N 383.444 2.939 0 1 GFAF C[C@@](O)(c1ccccc1)[C@@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 23476860 MFDVLMOVSSULIJ-RBZQAINGSA-N 396.531 2.668 0 1 GFAF C[C@H](O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28137252 XAXNFMSEGUTPQS-LBPRGKRZSA-N 377.872 2.703 0 1 GFAF COc1cccc(C(=O)NCCN2CCN(Cc3ccc(Cl)cc3)CC2)c1 22939118 IRLZMSTUVKZQRJ-UHFFFAOYSA-N 387.911 2.896 0 1 GFAF O=C(c1n[nH]c2cccnc12)N1CCc2nc(COc3ccccc3)oc2C1 113251973 VRKHLAZRNOIHIE-UHFFFAOYSA-N 375.388 2.723 0 1 GFAF COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)OC)[C@H]1N(CCc1c2[nH]c2ccccc12)[C@@H]3OC 2356462197 JJOKMAKPXJZYLG-QYDCICAWSA-N 398.503 2.853 0 1 GFAF CCCn1c(=O)c2[nH]c(-c3ccnn3-c3ccccc3)nc2n(CCC)c1=O 36190435 FWIUMUQPXKVBIU-UHFFFAOYSA-N 378.436 2.559 0 1 GFAF CCNc1nc(N2CCC(C(=O)OCC)CC2)nc2cc(OC)c(OC)cc12 82132043 RIKRXOPNXBGGGH-UHFFFAOYSA-N 388.468 2.858 0 1 GFAF CCCCNc1nc(N2CCC(C(N)=O)CC2)nc2cc(OC)c(OC)cc12 82129781 ZMFPSRGOVXYCRI-UHFFFAOYSA-N 387.484 2.561 0 1 GFAF CCOC(=O)c1cc(C(=O)c2cc(OC)ccc2N)nn1Cc1ccccc1 45498634 GCAYFMQLMSAWCH-UHFFFAOYSA-N 379.416 2.930 0 1 GFAF Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CCOC6(CC6)C5)ncn4)c3c2)cn1 221077503 CODBROAACHPBQA-UHFFFAOYSA-N 387.447 2.790 0 1 GFAF O=C1NC(NCc2cccc(Br)c2)=N/C1=C\c1c[nH]c2ncccc12 40980061 UFGXKSDYQUNJMX-NVNXTCNLSA-N 396.248 2.942 0 1 GFAF COc1ccc(CN2C(=O)N3Cc4cc(OC)ccc4[C@H]3CS2(=O)=O)cc1 96020193 RLWGSKCOMOUVDB-GOSISDBHSA-N 388.445 2.526 0 3 GFAF CCC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95895225 SESYIFBSAZWGOZ-XJUOHMSHSA-N 392.499 2.945 0 1 GFAF CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)C1 299880635 MPVPPQZRPZUUSS-DZOHQFGASA-N 375.517 2.505 0 1 GFAF O=C(O)Cc1cccc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 299824825 XMIGWECSZMISCA-OAHLLOKOSA-N 379.865 2.803 0 1 GFAF COCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587407656 BIVUWPZDRWANIO-GOSISDBHSA-N 375.446 2.704 0 1 GFAF CS(=O)(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085315 SKQIDPWXMIFCRT-UHFFFAOYSA-N 391.884 2.794 0 1 GFAF CN(C)CCOc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587033739 AHBBIQVZDWVKPY-UHFFFAOYSA-N 384.505 2.984 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN[C@H](C(=O)O)[C@@H]31 586989363 GHYAYECDAZVGNR-NTJPFVKBSA-N 386.407 2.854 0 1 GFAF COC(=O)c1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774808 XYERSUXGAJTRSS-VXJOIVPMSA-N 380.217 2.788 0 1 GFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)c1 586934900 AHWYAFPLNGGXNK-UHFFFAOYSA-N 388.428 2.570 0 1 GFAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)c(C2CC2)n1 587232163 MDIGIFIMSOPOKB-UHFFFAOYSA-N 398.423 2.728 0 1 GFAF O=C(O)c1cc(F)cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587162930 HKRAOIKFOMLCSX-UHFFFAOYSA-N 384.342 2.817 0 1 GFAF C[C@H](c1ccc(-c2cc(N3CCOCC3)nc(=N)[nH]2)cc1)[C@@H](C)N1CCCC1 1857593210 IYSMLXVQJXZLPA-DLBZAZTESA-N 381.524 2.981 0 1 GFAF CC(C)(O)[C@H]1Cc2cc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1 1857655472 DLXKJAGJQUQBCR-QZTJIDSGSA-N 382.412 2.904 0 1 GFAF Cc1ccc2c(c1)CCN2C(=O)c1ccc2c(n1)N(C1CC1)[C@@H](C)C(=O)N2C 1857754093 OJAOOSVJXFSXRL-AWEZNQCLSA-N 376.460 2.927 0 1 GFAF COc1ccc(-n2nc(C(=O)N3CCCC3)c3ccccc3c2=O)c(OC)c1 2942962 RNABRIDZEZJYDI-UHFFFAOYSA-N 379.416 2.639 0 1 GFAF CCOC(=O)/C=C\C(=O)OC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 102053103 AQMDYOVSQCBIBZ-JNSOCZORSA-N 377.437 2.785 0 1 GFAF CO[C@@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@@H]3C5 101483225 DRJFACWZQYBMLO-VBXBBLKOSA-N 383.488 2.647 0 1 GFAF Cc1cc(Nc2cc([C@H]3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1 66111705 NBGNQRDSPMRZAO-ZDUSSCGKSA-N 378.440 2.637 0 1 GFAF C[C@@]1(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)COCC(N)=N1 113660660 VZIVJCUBWLYNSB-KRWDZBQOSA-N 378.354 2.955 0 1 GFAF COc1cc(=O)oc(C=CC=CC=CC=C[C@]2(C)O[C@H](C)[C@](C)(O)[C@@H]2O)c1C 2356536776 BXUGQFINZUXAKN-XXMUNEJQSA-N 388.460 2.928 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(OC)C[C@@H]12 2356663379 CZMOHCGAILDDJJ-CRKFRMCVSA-N 378.465 2.897 0 1 GFAF O=C1NC(=O)C(c2cccc3cc[nH]c23)=C1c1cn2c3c(cccc13)CNCC2 28132226 HKPNVAASTVCDIR-UHFFFAOYSA-N 382.423 2.793 0 1 GFAF CN(Cc1cccc(Br)c1)Cn1nc(-c2ccncc2)oc1=O 43022754 LJVSPYPPCSAMDF-UHFFFAOYSA-N 375.226 2.750 0 1 GFAF c1cc(-c2nnn[nH]2)ccc1CSc1nnc(-c2ccc3c(c2)OCO3)o1 84669626 ZZRDSHKJUCIYQL-UHFFFAOYSA-N 380.389 2.938 0 1 GFAF CC(C)N1CCN(c2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)ncn2)CC1 225561260 XLQGVVQXQZUSOC-UHFFFAOYSA-N 388.479 2.940 0 1 GFAF CNC[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95678956 VMUIUYUBOUUZSN-PNLZDCPESA-N 382.504 2.931 0 1 GFAF O=C(O)C1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144716162 MLVXBECSIPVIDY-GOSISDBHSA-N 377.318 2.622 0 1 GFAF Fc1ccc(-n2cc(CN3CCN(c4noc5ccccc45)CC3)nn2)cc1 653715017 YDNNJYREWCTRDX-UHFFFAOYSA-N 378.411 2.870 0 1 GFAF CCOc1c(NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O 653689988 LSEYCOSZAFYKSM-CYBMUJFWSA-N 383.448 2.931 0 1 GFAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1CNC(=O)C(F)(F)F 653667971 QOMVKWOSNCOMEE-GFCCVEGCSA-N 394.349 2.738 0 1 GFAF O=C(C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)N1CCCC1 587657076 SKWOSJHDLWPXRA-UHFFFAOYSA-N 383.354 2.604 0 1 GFAF Cc1cn2cc(NC(=O)c3ccc(N4CCN[C@@H](C(C)C)C4)cc3F)ncc2n1 1772571951 FVQIKWGKFNLGTQ-GOSISDBHSA-N 396.470 2.863 0 1 GFAF CCOC(=O)[C@@]1(CC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169363825 YIKURKMRWAQOKN-IDVKNYFZSA-N 396.443 2.750 0 1 GFAF CC(C)COC(=O)N1CCOC[C@H]1c1cc(C(=O)NCc2ccccc2)no1 205210921 RSCFUYRTPQFCLG-KRWDZBQOSA-N 387.436 2.771 0 3 GFAF O=C1N=C2OC(C(=O)N3CCCCC3)=CN2CCN1Cc1cccc(Cl)c1 205212246 AXUCKROKSANQFT-UHFFFAOYSA-N 388.855 2.818 0 3 GFAF COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)NCc2ccco2)c(OC)c1 1224531 OOWFXNSFZDCAJZ-RYMBOPBQSA-N 396.443 2.990 0 1 GFAF C[C@@H]1O[C@H](OCCCCCCCCCCC[C@H](O)CC(=O)O)[C@H](O)C[C@@H]1O 2356345351 OEUPNEHVNNGMKN-CBNQQXHVSA-N 390.517 2.596 0 1 GFAF C[C@H]1CCCCN1CCCNC(=O)Cn1c(=O)c2cccn2c2ccccc21 6782344 WWVDWQJWSHUISM-KRWDZBQOSA-N 380.492 2.635 0 3 GFAF CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 6899544 KXQRVCJYWNQTIE-UHFFFAOYSA-N 398.488 2.701 0 1 GFAF Cc1cc(NC(=O)N2CCN(C)CC2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 116948760 XIGBTIXFXCZLOP-UYAOXDASSA-N 385.556 2.837 0 1 GFAF O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccccc2)[C@H]1C(=O)c1ccco1 100283659 ICWKKFHRJQPWDB-ZWKOTPCHSA-N 377.400 2.518 0 1 GFAF CC1(C)Oc2cc3oc([C@@H](O)Cc4ccccc4)cc(=O)c3c(O)c2C[C@@H]1O 2356307980 ICVZNVCTUUYGAV-LIRRHRJNSA-N 382.412 2.849 0 1 GFAF Cn1cc(C(=O)O)c(Nc2ccc(I)cc2F)cc1=O 28821855 DSKCFNMBWKCOQW-UHFFFAOYSA-N 388.136 2.571 0 1 GFAF C[C@@H]1C/C(=C2/NC(=N)N=C2O)c2c([nH]c3ccc(Br)cc23)C(=O)N1 34525210 BIAAOBDEULESPH-WNIDRHIBSA-N 388.225 2.658 0 1 GFAF FC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CCNCC4)nc32)c1 73293325 KRZFOHDWKJHXLR-UHFFFAOYSA-N 378.358 2.878 0 1 GFAF COC(=O)[C@@H]1C/C(=C\NCc2ccc(Cl)cc2Cl)C(=O)N1C(=O)OC 1911575598 OZRWVOAGWOSRQI-FROQITRMSA-N 387.219 2.507 0 1 GFAF CC[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C=C(\OC)C(=O)OC 85509962 CHASADHUGZYMJT-LJMJVRINSA-N 384.476 2.700 0 1 GFAF biogenic,in-vitro CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@@H](CC[C@]3(C)O)[C@@](C)(O)CC(=O)[C@@H]21 238748649 CKMZLJUYJFHCKF-FNCBCKFASA-N 396.524 2.629 0 1 GFAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccc(F)cc3F)nc12 95590490 XKDUKZKOPRGUTK-UHFFFAOYSA-N 393.371 2.842 0 1 GFAF Cc1ccc(-c2ccc(-c3nnc(CCCC(=O)NC(CO)CO)o3)cc2)cc1 96913819 VILDWTBSKGTUPM-UHFFFAOYSA-N 395.459 2.504 0 1 GFAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3cccc(N4CCCCC4)c3)c2n1 95595854 URCZUGVWFOOLTP-UHFFFAOYSA-N 395.511 2.952 0 1 GFAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CCN(CC2CC2)CC1 95796195 KDFAFMBGWOMVFP-HXUWFJFHSA-N 383.536 2.909 0 1 GFAF CCOC(=O)[C@@]1(c2cnc(OC)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514686 IYNBVXQEFKBBNT-NRFANRHFSA-N 382.416 2.788 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(I)cnn1C)O2 587386675 LIBJLQDGCVXQHO-HNNXBMFYSA-N 397.216 2.796 0 1 GFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 586936016 LZQFNBKGVLZGGW-UHFFFAOYSA-N 384.364 2.566 0 1 GFAF Oc1cc(-c2ccco2)c(O)n1-c1nn(-c2ncccn2)cc1Br 587940320 OMPJCUYGQMYLRO-UHFFFAOYSA-N 388.181 2.887 0 1 GFAF COC(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2n1 587125040 OYCCJZSFSIEGOU-RDDDGLTNSA-N 380.330 2.916 0 1 GFAF COc1ccc(CC[C@@H](C)NC[C@@H](O)c2ccc(O)c([S@](C)=O)c2)cc1 5751321 PAQZZCOZHPGCFW-UUELBBOTSA-N 377.506 2.783 0 1 GFAF in-man NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1 13561056 DXLZSIXOWQELJZ-UHFFFAOYSA-N 382.722 2.796 0 1 GFAF O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccc3ccccc3c1)C(=O)O)C2=O 13815982 XRVAOQLAEMOSRB-GOSISDBHSA-N 389.363 2.830 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(O)cc2)CC1 13823998 YSJVPVOMUFQUSU-UHFFFAOYSA-N 383.492 2.733 0 1 GFAF CN(C)C(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CCCC1 14947806 YEPCEIRFLLOWNI-PMACEKPBSA-N 383.467 2.614 0 1 GFAF COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)c(OC)c1 773134 TVCDOYUDGDPEJK-PZJWPPBQSA-N 397.475 2.950 0 1 GFAF CO[C@@H]1CC(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@@H](O)CC=C(C)C)[C@H]1O 2356407218 SOFBPMULDJOALM-XIKWOQTISA-N 376.449 2.783 0 1 GFAF CN(C)CCOc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 100817936 CHRNADDYZDTRIK-UHFFFAOYSA-N 393.365 2.982 0 1 GFAF COC(=O)C1=COC[C@@H](CCO)[C@H]1Cc1nccc2c3ccccc3n(C)c12 2356440815 RGHFKJLQDFUAFT-RHSMWYFYSA-N 380.444 2.971 0 1 GFAF C1=CC(c2noc([C@@H]3CCCN3Cc3ccncc3)n2)=C[C](N2CCCC2)N1 2356309326 XAUNRJBQWWMRTA-SFHVURJKSA-N 377.472 2.887 0 1 GFAF COc1c2c(nc3occc13)[C@](C=CC(C)(C)O)(OC)[C@H](OC(C)=O)CC2 2356549642 COPSXBJZFMKKPE-FOIQADDNSA-N 375.421 2.883 0 1 GFAF CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@]32[C@H]1OC(=O)[C@@H]2C 2356771217 SIELXTGPFIGRLA-VDLPQTJLSA-N 387.476 2.607 0 1 GFAF O=C1NN[C@H](C(=O)Nc2ncccc2OCC2CCCCC2)[C@H]2CCCC[C@H]12 215001519 UPIQIOYKTOHYJK-BQFCYCMXSA-N 386.496 2.789 0 1 GFAF CN(C)c1n2ccc(-c3cc[n+](C)cc3)cc2c2cc(-c3cc[n+](C)cc3)cc[n+]12 71789100 YWPVYSDTPFSNCR-UHFFFAOYSA-N 396.518 2.727 0 1 GFAF in-vitro Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)nc1 221922859 HTYPLCLOJNPSQC-AEFFLSMTSA-N 391.475 2.982 0 1 GFAF CCN1CCN(c2ncc(C)c(NCCc3cc(OC)ccc3OC)n2)CC1 82202870 MZOCNCSJUHKFRJ-UHFFFAOYSA-N 385.512 2.599 0 1 GFAF CCO[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)c1cc(OC)c(O)c(OC)c1 238759196 BSQYVZGVZUMJNE-XOBRGWDASA-N 378.421 2.977 0 1 GFAF Cc1ccc(C)c(-n2[nH]c(C(=O)N[C@@H](CC(=O)O)c3ccc(F)cc3)cc2=O)c1 95556893 YBVHBZGXPINVMH-INIZCTEOSA-N 397.406 2.867 0 1 GFAF O=C(c1nc2scc(C3CC3)n2c1Cl)N1CCN(C2CC=CC2)C(=O)C1 299852490 SUPAVPYEMXEPLD-UHFFFAOYSA-N 390.896 2.930 0 1 GFAF O[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)C1CCOCC1 586912193 BBYCPJCAIPGBJP-SNVBAGLBSA-N 391.063 2.943 0 1 GFAF CN(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928841 LGFFYYZWVKVRLD-INIZCTEOSA-N 393.856 2.761 0 1 GFAF CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587396580 UJXXCEWQRDKOEP-MBSDFSHPSA-N 394.471 2.976 0 1 GFAF Cc1nn(CCO)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578893 BSMWVRRFUBDCDE-WIYYLYMNSA-N 380.400 2.901 0 1 GFAF COC(=O)Cc1ccccc1-c1nc2cc(I)cnc2[nH]1 587783031 DGBJFPXUEHWKKX-UHFFFAOYSA-N 393.184 2.945 0 1 GFAF NS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c(F)c3[nH]2)cc1 586929316 DOOMAFRGATVXJZ-UHFFFAOYSA-N 398.257 2.897 0 1 GFAF CC1=C(c2ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3c2)NNC(=O)C1 586908003 PWMBSSPSKPPPEG-ZDUSSCGKSA-N 376.416 2.899 0 1 GFAF O=C(Cc1ccsc1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 11703015 LAZFWUHJTREWGJ-GOSISDBHSA-N 392.546 2.649 0 1 GFAF O=C(NC[C@@H]1Cc2cccc(-c3nccs3)c2O1)c1cc2ncccn2n1 12026297 VGWCZGOHAPVHOZ-ZDUSSCGKSA-N 377.429 2.586 0 1 GFAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCCC=C2C(=O)NC2CCCCC2)cc1 13493958 UORPAZIWMLBTTP-GOSISDBHSA-N 382.508 2.762 0 1 GFAF C[C@H](CCn1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1 13782781 KNYIQWUXTSJAQW-MRXNPFEDSA-N 385.899 2.750 0 1 GFAF COc1cc2nc(Cn3nc(CC(=O)O)c4ccccc4c3=O)sc2cc1F 13860768 DXDAXZBKTKHYLX-UHFFFAOYSA-N 399.403 2.829 0 1 GFAF CNc1nc(Nc2ccc(C(=O)NCCOC)cc2OC)ncc1C(F)(F)F 169705183 HTOHLXUPBSDBLK-UHFFFAOYSA-N 399.373 2.666 0 1 GFAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccnc(N4CCN(C)CC4)c3)cc21 205011297 ULTMSGKFSMKFJY-UHFFFAOYSA-N 388.475 2.712 0 1 GFAF C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 3045964 BQNRGKURXRLXES-SJLPKXTDSA-N 385.574 2.514 0 3 GFAF COc1c([C@@H](O)[C@@H]2CCCN(Cc3ccccc3)C2=O)ccc2c1OCCO2 103295600 RERRMLWHLKBPME-PKOBYXMFSA-N 383.444 2.939 0 1 GFAF CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 28703150 IJUURASWKIGTEL-NRFANRHFSA-N 395.503 2.696 0 1 GFAF CC(=O)n1c2cc(=O)n(Cc3cccnc3)c(C)c2c(=O)n1-c1ccccc1C 64453821 LYYGRRLCQFSUTF-UHFFFAOYSA-N 388.427 2.674 0 1 GFAF CCCC[C@H](O)[C@H](O)C=CC=C(CCCCCCCC(=O)O)C[C@@H](O)CO 2356499144 VNDAARHBSHHHLS-HSALFYBXSA-N 386.529 2.940 0 1 GFAF CC1(C)CON(Cc2ccc(N3C(=O)c4cccnc4C3=O)cc2Cl)C1=O 34446786 DWSBQXXZSKUIOK-UHFFFAOYSA-N 385.807 2.836 0 1 GFAF CC(C)CCN1C(=O)CSC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 199231615 ZNGUZDACZDVEKI-LJQANCHMSA-N 378.494 2.777 0 3 GFAF COC1CCC([C@H](C)Nc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)CC1 82212933 FOWKFUVNIBRMGE-VNCIIQTRSA-N 375.517 2.505 0 1 GFAF CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)F)cnc2[nH]1 587566785 YKEACCZDWYFLCM-UHFFFAOYSA-N 389.374 2.896 0 1 GFAF Sc1nnc(SCc2nc3ccc(CN4CCOCC4)cc3[nH]2)s1 587026540 ZAQQNWJLEXEQDD-UHFFFAOYSA-N 379.536 2.828 0 1 GFAF COc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1OC 587162740 CZWOIELEMBKCJT-UHFFFAOYSA-N 382.395 2.997 0 1 GFAF COC(=O)CN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587770993 UTACGHUHHSIYEW-NSHDSACASA-N 385.277 2.587 0 1 GFAF CCOC(=O)[C@H]1CS(=O)(=O)CC[C@]12NCCc1cccc(-c3ccccc3)c12 962661268 JFTMWBNXRSZJED-KNQAVFIVSA-N 399.512 2.692 0 1 GFAF COc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)cc(OC)c1OC 4859333 HKNMFYZLUBEBAM-KRWDZBQOSA-N 386.448 2.929 0 3 GFAF COc1ccccc1N1CCN(CCNC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)CC1 100840444 SHJROHGGSGTGQS-MDECGGOYSA-N 383.536 2.760 0 1 GFAF COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 105236923 CSHJCFDOSOZWAX-HZPDHXFCSA-N 376.501 2.558 0 1 GFAF CC(=O)c1cc(NC(=O)c2cccs2)ccc1OC[C@@H](O)CNC(C)C 25981981 SVIVGPHQJSHBMT-HNNXBMFYSA-N 376.478 2.941 0 1 GFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2F)nc1 29038935 NOMXYMJLRZOSIS-UHFFFAOYSA-N 386.330 2.891 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1C[C@H](O)C2=O 2356442388 ALBNSVAJDFJRKQ-LZGZLGGUSA-N 384.494 2.677 0 1 GFAF O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)Cc2ccccc2)[n+]([O-])c1 29569451 XUNMHDBDUOUNHX-UHFFFAOYSA-N 386.404 2.685 0 1 GFAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NCC1CC1 2356825062 HBKPBRKKLZFTFV-KLHDSHLOSA-N 386.370 2.788 0 1 GFAF CO[C@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)C[C@@H](C(C)(C)O)O2 2356851361 QGWNXSMDRPLOFM-UGKGYDQZSA-N 396.439 2.992 0 1 GFAF CC1(C)OC(=O)[C@]2(COc3ccc4c(=O)cc(-c5ccccc5)oc4c32)[C@H]1O 15257299 GSGHBAQDHGCTPP-UGKGYDQZSA-N 378.380 2.787 0 1 GFAF biogenic COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CCO)c2c1 43079678 MMXFANNFSJJBAT-UHFFFAOYSA-N 385.416 2.899 0 1 GFAF Cn1ccnc1C[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1 199427469 QAUPQNUXEYNMDC-QGZVFWFLSA-N 392.507 2.659 0 1 GFAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CCOc1ccccc1 199396947 JXHLZGBFOOWPFY-QFIPXVFZSA-N 396.443 2.856 0 3 GFAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cccc(OC)c1 95894782 DVBSRULSALQOGV-FSSWDIPSSA-N 395.503 2.964 0 1 GFAF COc1ccc(CN2[C@H](CO)[C@@H]3c4ccccc4N(C(=O)C4CC4)C[C@@H]32)cc1 95893950 WMMSJMSADXYAFQ-BHDDXSALSA-N 378.472 2.781 0 1 GFAF Cc1ccccc1CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 263590700 JDXKUNIDWZKHPK-YOEKFXIASA-N 388.467 2.593 0 3 GFAF COC(=O)C(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587807588 LXQKFCQNZOCRRP-NSTVUXKKSA-N 384.245 2.860 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O 587448427 IYLAEYDYPILCOD-OXJNMPFZSA-N 387.457 2.608 0 1 GFAF Cc1ccccc1N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O 147222825 RIXWIRWAEADUJU-IBGZPJMESA-N 376.815 2.572 0 1 GFAF CCNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1 1772603324 NSRRDNGMQXSHPJ-UHFFFAOYSA-N 381.480 2.691 0 1 GFAF CCNc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc12 1772575904 ASUHLOHDVJKVMC-DOTOQJQBSA-N 379.468 2.609 0 1 GFAF O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCCCCC1 13153295 OHDRKYIAFNMZNY-TXVWBRJLSA-N 392.499 2.807 0 1 GFAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)N3CCOCC3)cc2c1 13570937 OGRSARXPUXZKCB-UHFFFAOYSA-N 381.432 2.884 0 3 GFAF CCCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC 13864514 LNGARFTYFGQDHD-INIZCTEOSA-N 383.485 2.763 0 1 GFAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccc(OC)cc1 16040903 DSDAYIXXIAMTKR-LJQANCHMSA-N 381.432 2.760 0 1 GFAF biogenic O=c1n(CCCCCCNC[C@H]2CCc3ccccc3O2)c(O)c2n1CCC2 169725393 KFEOCDXIJZFQIE-GOSISDBHSA-N 385.508 2.845 0 1 GFAF COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1OC 114020377 YSFVSZHFOYRRJX-CYBMUJFWSA-N 379.416 2.829 0 1 GFAF O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)Cc2ccc(Cl)cc2)N1 28226117 JBFCCKVDWQPSBY-CQSZACIVSA-N 399.255 2.848 0 1 GFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 28522112 QDNGVIMUWLFPTA-JLUCKKNBSA-N 376.865 2.861 0 1 GFAF Cc1ccc(C(=O)N2CC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(-n2nccn2)c1 218072579 ZEVFKKUSMZUQAE-KRWDZBQOSA-N 385.431 2.948 0 1 GFAF CC(=O)NCCn1c(CC(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 82187417 OFNKHKGUKZNIJY-UHFFFAOYSA-N 398.486 2.955 0 1 GFAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)Cn3cnc4c(N)ncnc43)C[C@@H]1O2 40933279 KLDTZXDMVHXKIB-RBOXIYTFSA-N 393.447 2.951 0 1 GFAF COc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1 220068409 GUBVGXQAPYZWDC-KBPBESRZSA-N 375.436 2.841 0 1 GFAF CS(=O)(=O)CCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2 82158234 GDDACYSSEVBCQL-UHFFFAOYSA-N 379.522 2.822 0 1 GFAF COc1cccc(CNC(=O)c2nc3ccc(OC(F)(F)F)cc3c(=O)[nH]2)c1 149971303 ZJQWENDJJKTQSF-UHFFFAOYSA-N 393.321 2.760 0 1 GFAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1occc1Br 95577577 OMWGGOLZZXEWQY-JKSUJKDBSA-N 390.281 2.872 0 1 GFAF CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95667163 QSARMLWFTJLMLQ-YPAWHYETSA-N 382.504 2.845 0 1 GFAF CC1(C)Oc2ccc(-c3ccc4nonc4c3)cc2[C@]2(COC(N)=N2)C12COC2 149218026 PKUHVJVJHBYAMJ-OAQYLSRUSA-N 392.415 2.618 0 1 GFAF Oc1nc(S)nc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587029904 VOLCBEFZKUUSIK-UHFFFAOYSA-N 381.446 2.869 0 1 GFAF NS(=O)(=O)c1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587531596 HXAFZNBQTHXMEO-OAQYLSRUSA-N 399.468 2.856 0 1 GFAF CCS(=O)(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587170815 FGUCODLRHAJBTI-UHFFFAOYSA-N 376.409 2.953 0 1 GFAF CN1c2ccccc2C(=O)[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O 17837821 UYZIILPQNFXDNO-OAHLLOKOSA-N 398.362 2.675 0 1 GFAF COc1cc(/C=C/C(=O)N2CCC=C(Br)C2=O)cc(OC)c1OC 169332081 WBDLGHNCAOFZBX-VOTSOKGWSA-N 396.237 2.763 0 1 GFAF CC(C)c1cc(N2CCOCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3 1857751943 YKISSJXGQCARFI-UHFFFAOYSA-N 384.524 2.991 0 1 GFAF Cc1cc(-n2ncc(=O)[nH]c2=O)ccc1C(=O)c1ccc(Cl)cc1Cl 25964088 LXXPLXZEGKRZIQ-UHFFFAOYSA-N 376.199 2.767 0 1 GFAF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1cccn1C)CC2 28100610 WTCJUYCGWAYPAJ-UHFFFAOYSA-N 399.535 2.534 0 1 GFAF C[C@H]1CC[C@H]2[C@H](CN3CCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@H](N3CCCC3)[C@@H]12 27086198 HPVDMHVBTFPXQO-MDRLTZHNSA-N 388.552 2.730 0 1 GFAF Nc1ccccc1NC(=O)c1ccc(CN(CCO)Cc2cccnc2)cc1 29132990 UEXNLHJWIUEZNQ-UHFFFAOYSA-N 376.460 2.911 0 1 GFAF O=C(Cc1ccccc1Cl)NCCNC[C@H](O)COc1ccccc1Cl 28264885 QJTJRCZDPKECMQ-HNNXBMFYSA-N 397.302 2.682 0 1 GFAF O=C(Nc1ccccc1)N1C[C@H](CN2CCN(c3ccccc3)CC2)OC1=O 67924043 XFOSCSDXUYQABM-IBGZPJMESA-N 380.448 2.862 0 1 GFAF O=C(N[C@@H]1C[C@@H]1c1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523660 MBZWSAFWQQFKOG-GXRSIYKFSA-N 376.504 2.942 0 1 GFAF CC(=C[C@H](O)CC(C)=CCCCC(=O)CO)CC[C@H](O)[C@@]1(C)CCC(=O)O1 2356746473 YKUZFPGHZVFVLY-SVFBPWRDSA-N 382.497 2.599 0 1 GFAF OCC[C@H]1CN(Cc2cnc(N3CCCC3)s2)CCN1Cc1ccccc1 20599752 YRQJTVXFULCPQQ-IBGZPJMESA-N 386.565 2.812 0 3 GFAF O=C(NCCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12 27708147 LFCVZQPROGQZAE-UHFFFAOYSA-N 385.427 2.958 0 1 GFAF COc1cc([Si](C)(C)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 210382502 BUKNODXIXDJUSV-UHFFFAOYSA-N 392.524 2.561 0 1 GFAF O=C(O)CCCN1CCN(Cc2cccc(Oc3ccccc3)c2)S1(=O)=O 72127834 FUAWCLWDENUUCJ-UHFFFAOYSA-N 390.461 2.706 0 1 GFAF O=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4ccccc4F)n3)cc21 71333933 REBLJHSDQODSAN-UHFFFAOYSA-N 377.423 2.642 0 1 GFAF C/C1=C\C(=O)O[C@@H](C[C@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C\CC1 137039843 JDROCHDFKUSVDQ-NZPKVEEQSA-N 397.537 2.938 0 1 GFAF O=c1cc(N2CCOCC2)nc2n(Cc3ccc(Cl)c(Cl)c3)ccn12 73312663 WUDSDJMJLCBDLN-UHFFFAOYSA-N 379.247 2.688 0 1 GFAF COc1ccc(/C=C2\C[C@](CO)(COC(=O)c3ccc(OC)cc3)OC2=O)cc1 40392648 PQLKHTRGIRKEMK-BVZCLVNKSA-N 398.411 2.622 0 1 GFAF C=C1[C@H]2C[C@H](C[C@H]1OC(=O)C(C)(C)[C@@H](C)O)[C@@]21CO[C@]2(C[C@H](C)C(=O)O2)C1 141150107 ZRQVIGLTTXPLCI-UEOOAHFZSA-N 378.465 2.587 0 1 GFAF COc1cc2c(cc1OC)[C@@H]1O[C@H](O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 238779152 XYWRZQQANNOTTD-DYXWJJEUSA-N 385.416 2.724 0 1 GFAF endogenous,in-man NCc1ccc(C[C@H](C[P@@](=O)(O)[C@@H](N)CCc2ccccc2)C(=O)O)cc1 98208387 XZFPYKBNMOQQLL-RTBURBONSA-N 390.420 2.577 0 1 GFAF in-vitro CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)C12CN(C(C)=O)C2 95666943 JNZSOJNEPOUUKL-IFMALSPDSA-N 396.462 2.790 0 1 GFAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4c3CCO4)CC2)CC1 261178380 VLMVFBMJXRVZOG-WGSAOQKQSA-N 386.540 2.532 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 299882206 PIFWXBWASJVRLX-QEUVDIPISA-N 397.475 2.857 0 1 GFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccnc(Br)c2[nH]1 587223370 DAZPMRBXLBKRLA-SNVBAGLBSA-N 375.226 2.804 0 1 GFAF Nc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cnn1Cc1ccccc1 587652754 IHHWECAPSXBBQX-UHFFFAOYSA-N 379.807 2.565 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OCC1CN(Cc3ccccc3)C1)C2 1772634040 UTMMCKANACRRAZ-IBGZPJMESA-N 395.455 2.734 0 1 GFAF CC(C)(C)c1ccc(C[C@H](C(=O)O)N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 13816016 AEEWRMSOSOVZGV-QGZVFWFLSA-N 395.411 2.974 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC[C@@]3(CCCN3)C2)cc1)N1Cc2ccncc2C1 166221895 QLIAJLCTEZTWQI-QFIPXVFZSA-N 391.475 2.597 0 1 GFAF NC(=O)CSc1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccccc1 2911429 HHAFAHHERNYXNQ-UHFFFAOYSA-N 377.473 2.976 0 1 GFAF CC(=O)O[C@@H]1[C@H](O)[C@H](C)[C@]2(CC[C@]3(CO[C@H](O)C3)O2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356403038 XUFKRKJXYWRSRT-GKDWYQNISA-N 396.524 2.788 0 1 GFAF CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)C1 8671643 OMYRUYFLQDCXGE-ZSEKCTLFSA-N 383.448 2.507 0 1 GFAF COc1ccc2c(c1)[C@]13CCN(C)C=C4[C@H](C)OC[C@H]([C@@H]1N2C(C)=O)[C@H]4CC3=O 2356431728 CGCVCRNBATWZMJ-NICCURPTSA-N 396.487 2.511 0 1 GFAF CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1c[nH]cn1 26145143 XMLFNBQRGLNRSH-IBGZPJMESA-N 397.479 2.891 0 1 GFAF CCCCCC(=O)O[C@@H]1C=C2[C@H](OC)OC[C@]2(O)[C@]2(C)[C@H](O)CCC(C)(C)[C@@H]12 2356870291 XPKRYPSOFXPZSA-UASITTHNSA-N 396.524 2.956 0 1 GFAF CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 72177090 ZXGBXINOLXYNIY-QYZOEREBSA-N 398.507 2.781 0 1 GFAF CC(=O)C[C@@]1(O)C(=O)c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@H](C)O4 13480632 SJTGXQPVZQYOCL-MLMJSJRWSA-N 398.411 2.707 0 1 GFAF biogenic CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@@]5(CC[C@@H]12)CC(=O)O[C@@]453 40380710 XCHPKMCSODEYHN-DHWLSRIRSA-N 382.460 2.678 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CCOCC1 223410211 GQCFPBDBAMWOAP-UHFFFAOYSA-N 377.448 2.810 0 1 GFAF COc1cc(-c2c(C(=O)c3ccc(O)cc3)[nH]c3nc[nH]c(=O)c23)ccc1O 96921753 FMFFQGKFXYXRKU-UHFFFAOYSA-N 377.356 2.569 0 1 GFAF N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3[nH]ncc23)n1 147027092 VITJXRMIMKINMO-XJKSGUPXSA-N 390.451 2.620 0 1 GFAF O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95893461 QOIZBCOVSIRXJY-XYJFISCASA-N 396.409 2.831 0 1 GFAF O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@H]4N2Cc1cccc(I)c1 261083115 CAYMCWKKHULDBH-OJDFKJTGSA-N 391.252 2.552 0 1 GFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NCCc1ccccc1 299840653 YFOUQQQFMLUFGQ-UHFFFAOYSA-N 377.824 2.829 0 1 GFAF N=C(N)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586970394 ZAGNXWVDEOKTIN-UHFFFAOYSA-N 394.416 2.918 0 1 GFAF COC(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440675 CFSACSRGGHFVSD-OPAMFIHVSA-N 398.411 2.918 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1cccc(OCC(=O)NC4CC4)c1)[C@@H](C2)C3=O 587433471 QTXNTOBPQBBUPN-HTAPYJJXSA-N 379.412 2.841 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CCC[C@@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962693243 BBVZROAKEFWXFG-RQWBNGALSA-N 390.524 2.857 0 1 GFAF COc1ccc(Nc2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)cc1 13493993 YSARQOUDKLYUTQ-UHFFFAOYSA-N 376.380 2.605 0 1 GFAF N[C@@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@H]1c1cc(F)c(F)cc1F 14958803 DIRIFWIKLRTNMB-SUMWQHHRSA-N 392.377 2.719 0 1 GFAF C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(CNc3c(N4CCCC4)c(=O)c3=O)cc2)C1 15961178 XBQRYSUYWYGGDT-IYBDPMFKSA-N 395.503 2.613 0 3 GFAF Cc1cncc(C(=O)N[C@@]23CCC[C@@](NC(=O)c4cccc(F)c4)(CC2)C3)n1 169710849 JJSGQCLDNBSOPP-RTWAWAEBSA-N 382.439 2.929 0 1 GFAF Nc1ncnc2c1c(-c1ccc3c(c1)OCO3)cn2[C@H]1CCN(C(=O)C2CC2)C1 1857616000 ZIAFETKDIKWBDB-AWEZNQCLSA-N 391.431 2.593 0 1 GFAF CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(C4CCOCC4)C[C@H]23)n2ccccc12 1857640599 HPHCILUBWLALNJ-NNZMDNLPSA-N 382.508 2.544 0 1 GFAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 2487262 JAKDRNSEFDRJFF-QAPCUYQASA-N 377.529 2.595 0 1 GFAF COC(=O)NC1=N[C@H](c2cc(Br)ccc2Br)CN1C 27709011 LPXLJOJMFZMMDY-JTQLQIEISA-N 391.063 2.910 0 1 GFAF CC1(C)CC(n2ncc3nn(CCN4CCOCC4)cc3c2=O)CC(C)(C)C1 118645471 QOXMHGXEHCEFOH-UHFFFAOYSA-N 387.528 2.703 0 1 GFAF Cc1nc2c3c(c(C(=O)N4CC(O)C4)cn2c1C)CC[C@@H](c1ccccc1)O3 28867185 CYKFSLPDOQGOQR-IBGZPJMESA-N 377.444 2.834 0 1 GFAF CC1(C)Oc2ccc(C[C@@H]3OC(=O)C(O)=C3c3ccc(O)cc3)cc2C[C@H]1O 2356597612 OFDJVCBYZMERME-ZWKOTPCHSA-N 382.412 2.904 0 1 GFAF CCSc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O 72122996 HHVZITOLHMONBI-UHFFFAOYSA-N 380.517 2.903 0 1 GFAF CN(Cc1nc2cccc(N3CCNCC3)c2[nH]1)[C@@H]1CCCc2cccnc21 35950663 AIVVNDNIWAQWOH-GOSISDBHSA-N 376.508 2.877 0 1 GFAF O=C(O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 38253072 RQLOSGIEXNOVDH-UHFFFAOYSA-N 395.253 2.535 0 1 GFAF O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95893512 AQXNNYWGKMHKPX-NJYVYQBISA-N 376.456 2.802 0 1 GFAF CCC(=O)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 96941801 ALSFHTIGYJWHMP-LJQANCHMSA-N 386.467 2.980 0 1 GFAF Cc1nc(C2CCOCC2)c2c(N3CCc4[nH]nc(C(C)C)c4C3)ncnn12 230528218 UXFMETYQZLJLBQ-UHFFFAOYSA-N 381.484 2.736 0 1 GFAF COCC(C)(C)N(C)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 149296617 SFSPGZCMJIDZLC-UHFFFAOYSA-N 383.439 2.823 0 1 GFAF CCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95894858 PEQCJJQCTRUYBM-VWPQPMDRSA-N 382.504 2.845 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(=O)CC)N(C(=O)NC(C)C)[C@H]2CO)cc1 95895743 YDHFMTCRVQBOGL-VSXJQNICSA-N 387.524 2.835 0 1 GFAF O=C1N[C@@H](Cc2ccccc2)COCn2nncc2CC[C@@H]1Cc1ccccc1 95898426 GCRQLEHINYBJQK-RTWAWAEBSA-N 390.487 2.785 0 1 GFAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 299825583 ZCBNOXHHXGWGMW-AVGNSLFASA-N 384.436 2.598 0 1 GFAF CCS(=O)(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 586979235 UJJSZKXYVZDFMH-UHFFFAOYSA-N 397.298 2.981 0 1 GFAF COc1cncc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586955118 KDJDJVRAMRQTMQ-UHFFFAOYSA-N 378.841 2.681 0 1 GFAF Cc1cnc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 586942685 OURWVLDNLWGPKM-UHFFFAOYSA-N 387.284 2.569 0 1 GFAF COc1cccc2cc3c(nc12)[C@H](c1ccc(O[C@H](C)C(N)=O)cc1)NCC3 963051668 DRSNXVXFMKQGPL-XCLFUZPHSA-N 377.444 2.731 0 1 GFAF COc1cc([C@@H]2NCCc3c(C(=O)O)cccc32)ccc1OCc1nccn1C 963148728 OHDMUAZBKRWAHG-NRFANRHFSA-N 393.443 2.941 0 1 GFAF C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1)c1cnn(C)c1 166830226 UVMKMTIJWRYXBV-CQSZACIVSA-N 390.447 2.854 0 1 GFAF CO[C@H]1C[C@]2(C(=O)Nc3cc(O)ccc32)[C@H](c2c[nH]c3ccccc23)[C@@H](CO)O1 205281623 PACWVIDGUPOUPQ-NXLVEIQXSA-N 394.427 2.601 0 1 GFAF CCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1 205316035 RLJALUXXCIPPJR-UHFFFAOYSA-N 388.479 2.727 0 1 GFAF N#CN1CC[C@@H](NC(=O)N2CC(OCc3ccccc3)(c3ccccc3)C2)C1 1857571401 SQQNGJLARPPQHI-HXUWFJFHSA-N 376.460 2.679 0 1 GFAF COc1ccc(OC)c2c1C[C@@H]1c3cc4c(cc3C[C@@H](C(=O)O)N1C2)OCO4 1857577808 UALULNJJLWOBMB-CVEARBPZSA-N 383.400 2.541 0 1 GFAF C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 1912777 YNCNZXJRRRALAJ-BUXKBTBVSA-N 379.840 2.763 0 1 GFAF CC(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356315596 NCMCKKKMZKTIEL-KJJMTIBFSA-N 399.535 2.592 0 1 GFAF CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCc2ccc(OC)cc2OC)C1=O 2934184 JBGNIQUJTSLKSU-GOSISDBHSA-N 398.459 2.833 0 1 GFAF CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1 3606284 BCQKEAUFNXECKN-UXHICEINSA-N 385.483 2.543 0 1 GFAF in-vitro CCOC(=O)C1=C(N)Oc2cc(O)c(Br)cc2[C@H]1c1cccnc1 103251858 HMWVQPYEAWHWFG-CQSZACIVSA-N 391.221 2.807 0 1 GFAF Cc1cccc2nc([C@H](C)Nc3ncnc4[nH]cnc34)c(-c3ccccn3)c(=O)n12 114790155 WGTPXTPWJNFMAW-ZDUSSCGKSA-N 398.430 2.904 0 1 GFAF COc1ccc(C2=NN(CCn3ccnc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26572901 DYMATXSIQRNSJP-IRXDYDNUSA-N 382.464 2.953 0 1 GFAF COc1c(N2COCC2(C)C)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 29123519 IIOXVADLMLRSNC-UHFFFAOYSA-N 376.384 2.755 0 1 GFAF Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2ncccc2O3)cc2cn[nH]c12 49072437 SZBATNMOTQEKFQ-UHFFFAOYSA-N 376.416 2.907 0 1 GFAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C(C)(C)O)nc12 135748682 JTXBWCRMHAVYJZ-UHFFFAOYSA-N 395.442 2.750 0 1 GFAF CC(=O)NCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82134104 GEHAYVSTTZAQDY-UHFFFAOYSA-N 389.459 2.622 0 1 GFAF CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccncc3F)cn2)CC1 84733185 KNLSFFCJVSXZSY-UHFFFAOYSA-N 389.431 2.647 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1CC=C2C[C@@]3(OC)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 238730774 ILGDWQQRRLHSBQ-GZERIQKPSA-N 376.449 2.818 0 1 GFAF O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cocn1 95600874 LADYXEYYHNMFGT-PWRODBHTSA-N 393.418 2.803 0 1 GFAF 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Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3cccn3)c2F)cn1 224571397 VXYDOCANENWBNX-AWEZNQCLSA-N 383.427 2.769 0 1 GFAF C/C=C1\C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@]2(COC(C)=O)C(=O)OC 238749909 DPOLCWCHNHLFAV-LNUMCBSZSA-N 382.460 2.924 0 1 GFAF COc1nc(Nc2cc(C)cc(-c3cnc([C@@](C)(O)CO)s3)c2)ncc1F 141823036 MHQDZSRKYGXHGD-SFHVURJKSA-N 390.440 3.000 0 1 GFAF O=C(Cc1cn(CCO)nc1C(F)(F)F)NCc1ccc(F)cc1Cl 95565556 JLLNDLBQTVZARY-UHFFFAOYSA-N 379.741 2.546 0 1 GFAF Cc1c(F)ccc2c1[C@](CN1C(=O)[C@H]3C[C@H]3C1=O)(c1ccc(F)cc1)NCC2 962380616 XDKPHIZUHKKZKY-JKSBSHDWSA-N 382.410 2.667 0 1 GFAF COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)c1cccc(Br)c1CCN2C 963272286 ZAVAJOBSRUPTCR-IVWMJMPLSA-N 396.281 2.505 0 1 GFAF O=C(Nc1ccc(Cl)cc1)[C@H]1C(=O)C(=O)N(c2ccc(Cl)cc2)C1=O 5812431 PPJUJHOGDGQABC-CYBMUJFWSA-N 377.183 2.691 0 1 GFAF O=C(N[C@H]1CCCN(c2nc3ccccc3s2)C1)c1cc2ncccn2n1 12302450 PXLOAFIOGDFPOX-ZDUSSCGKSA-N 378.461 2.738 0 1 GFAF CNC(=O)c1cccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c1 1857594650 GSCIYRUDJIFMOT-UHFFFAOYSA-N 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ALFZPGQZISPNOG-CHWSQXEVSA-N 390.432 2.855 0 1 GFAF biogenic Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccco1)CC3 82195970 ZXJDOCPOSBJJOS-UHFFFAOYSA-N 394.456 2.705 0 1 GFAF CCn1ncc2cc(-c3cc(=O)n4nc(C)c(-c5nc(C)no5)c4[nH]3)ccc21 142816856 FXWMEDKPGQUELM-UHFFFAOYSA-N 375.392 2.726 0 1 GFAF OC[C@H]1CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1 96168743 OLAUYNMIBWDUFV-INIZCTEOSA-N 391.475 2.501 0 1 GFAF COc1ccc(-c2oc3c(c2C(=O)OCCO)[C@@H](OCCCO)CCC3)cc1 95604117 UXNZCKLNOCDYIW-INIZCTEOSA-N 390.432 2.881 0 3 GFAF CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1C(=O)OCC 299820703 GUPGTIFQEFDETP-IBGZPJMESA-N 394.427 2.894 0 1 GFAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c[nH]c(=N)[nH]c-3n2)c1 587050626 PWEKSQDQXOKXLX-VOTSOKGWSA-N 399.842 2.761 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1N1CCOCC1)CC2=O 587474375 CVEPXGWZBOXYLR-SFHVURJKSA-N 385.464 2.930 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C)c(C)cc3[nH]2)[C@@H](C)O)cc1 586936054 GXMAOKYUMRMELK-FZKQIMNGSA-N 389.477 2.589 0 1 GFAF C[C@]1([C@@H]2C(=O)c3cccc4c3N(CCC4)C2=O)NCCc2c(C(=O)O)cccc21 963125458 VANQIUWSTFWQSC-JPYJTQIMSA-N 390.439 2.538 0 1 GFAF CCCCN1CCN(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cn2)CC1 11686942 AAPAMFMKNPBKSU-UHFFFAOYSA-N 378.480 2.646 0 1 GFAF CCc1cccc(-n2nnnc2N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 13349748 PQQZRJPZJSRSSJ-UHFFFAOYSA-N 395.442 2.718 0 1 GFAF Cc1ccc2c(N)c(C(=O)NCCc3ccc4c(c3)C[C@H](C(=O)O)C4)sc2n1 1857592117 KFKVTFVKKCAABS-OAHLLOKOSA-N 395.484 2.959 0 1 GFAF COC(=O)[C@@H](NC(=O)CC(=O)O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 1857594051 HFCUQTFELBCLEV-KRWDZBQOSA-N 381.306 2.576 0 1 GFAF O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4050451 RDIBBJLLUXLRHD-ICSRJNTNSA-N 397.500 2.969 0 1 GFAF O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4206596 RQFOYLUNRRCLGK-DOTOQJQBSA-N 394.880 2.618 0 1 GFAF COCCNc1nc(-c2ccc(C3CCNCC3)cc2)cc2ncn(C)c(=O)c12 115625909 KATXVDPDEZBFPN-UHFFFAOYSA-N 393.491 2.521 0 1 GFAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(n2cc(CN3CCCC3)nn2)CC1 103525641 NLDSNADGXKUPDL-RTWAWAEBSA-N 394.523 2.777 0 1 GFAF CCCCc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CC2CC2)cc1 61896305 UUPPJOVKNMHFLL-FQEVSTJZSA-N 392.521 2.625 0 3 GFAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(OC2CCOCC2)nc1 117738440 QQEILOVPMZATIW-LJQANCHMSA-N 383.448 2.553 0 1 GFAF Cc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 73199574 ZPKWWRSEUAPMJU-DAESXHAQSA-N 395.846 2.547 0 1 GFAF COc1ccc(Cc2nc(N)n(C)c2Cc2cc(OC)c(O)c(OC)c2)cc1 14611958 DMFFDOWRZFDQGT-UHFFFAOYSA-N 383.448 2.915 0 1 GFAF biogenic CCCCn1nc(-c2nc3ccccc3s2)nc2c(=O)n(CCC)c(=O)nc1-2 49783674 HEYUCBUHAJHHGB-UHFFFAOYSA-N 396.476 2.787 0 1 GFAF CNC(=O)N1CCC[C@@H]([C@@H](C)Nc2nccc(-n3cnc4ccccc43)n2)C1 45320836 GUANBVMXZMYPLN-HUUCEWRRSA-N 379.468 2.667 0 1 GFAF Nc1ccccc1-c1nnc(C(=O)NCc2ccccc2OC2CCOCC2)o1 43015965 YIEHFTIKWWPJLG-UHFFFAOYSA-N 394.431 2.807 0 1 GFAF O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCCC1 95894940 NQZSYQKSNDKNBI-FKBYEOEOSA-N 379.504 2.717 0 1 GFAF CCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95894854 PEQCJJQCTRUYBM-SJBKTWHCSA-N 382.504 2.845 0 1 GFAF COc1nccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587113420 RWGWKQXUCSPTEY-UHFFFAOYSA-N 375.314 2.687 0 1 GFAF O=S(=O)(O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005748 QHUJTGSKLLQWIY-UHFFFAOYSA-N 389.618 2.683 0 1 GFAF CN1C(=O)C[C@H]2CN[C@](CSCC(=O)O)(c3ccccc3)c3cccc1c32 963018990 DFEYBECPNKKGBH-LHSJRXKWSA-N 382.485 2.801 0 1 GFAF CC(C)C[C@@H]1CC(Nc2nn[nH]n2)=C[C@@]2(C1)c1ccsc1CCN2C(N)=O 962717695 UYJZCZRZQQAQEF-XIKOKIGWSA-N 387.513 2.845 0 1 GFAF O=C(/C=C/c1cnccc1-c1cn[nH]c1)Nc1ccc(CN2CCOCC2)cc1 1772604070 CUSUZSREAOLZQQ-ZZXKWVIFSA-N 389.459 2.956 0 1 GFAF O=C(O)c1cn(C2CC2)c2c(F)c(N3CCN4CCC3CC4)c(F)cc2c1=O 13650317 HCRNJXIEMBGDLV-UHFFFAOYSA-N 389.402 2.597 0 1 GFAF Cc1cccc(-c2nc(N=c3cc[nH]cc3C(=O)NC(C)C)c3cccn3n2)n1 1857754878 RATPGIXIMZJDLJ-UHFFFAOYSA-N 387.447 2.798 0 1 GFAF CC(=O)c1ccc(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)cc1 6839775 YWVGJZXQYAKPPS-UHFFFAOYSA-N 395.440 2.829 0 1 GFAF O=C(Nc1ccn(CCCNCc2ccccn2)c(=O)n1)OCc1ccccc1 61936094 SVZQBHVULHVJTA-UHFFFAOYSA-N 393.447 2.567 0 3 GFAF COC(=O)C1=C(OC)C(=O)O[C@@H]1c1c(Cl)c2cc(C)cc(C)c2oc1=O 1911570809 WZUIYFNHIWIOJI-CQSZACIVSA-N 378.764 2.735 0 1 GFAF COc1cc2ccncc2cc1OC(=O)CCN1C(=O)NC(=O)[C@@H]2CCCC[C@@H]21 618016141 STBJOJXXQQBKHS-CVEARBPZSA-N 397.431 2.650 0 1 GFAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2[nH]cnc12 587657947 GSODXYZSFLAEQL-UHFFFAOYSA-N 376.326 2.997 0 1 GFAF Cc1c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028907 BQKIVQMAFCPFFG-UHFFFAOYSA-N 390.432 2.688 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C)([C@](C)(OC(C)=O)C(=O)OCC)CC2=O 587488462 ZXZVOWXCLMXSJC-VQTJNVASSA-N 378.421 2.954 0 1 GFAF NCCOCCOCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587246769 VZVZTBLPGCXKDI-UHFFFAOYSA-N 396.207 2.879 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccco4)Cc4nc(=N)[nH]cc41)[C@@H](C2)C3=O 587431860 HPISCWMHXQRMEW-UZRORNOBSA-N 389.411 2.864 0 1 GFAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649242 NIZFZOXDHBJSNR-UHFFFAOYSA-N 385.367 2.863 0 1 GFAF CN=c1nc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]s1 587860115 ZYTUCCHTDZZLOB-GLEZIHRCSA-N 385.306 2.895 0 1 GFAF Nc1nccc2[nH]c([C@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cc12 962983631 YYYJRJHLFQQLIG-IUODEOHRSA-N 378.766 2.765 0 1 GFAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2cccc(OCCO)c2)N1 962627314 FNXHDHFLORYDRK-YOEHRIQHSA-N 397.349 2.645 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cnn(-c3cccc(Cl)c3)n1)NCC2 962924798 MAEHUXSWMXGOKF-LJQANCHMSA-N 381.867 2.858 0 1 GFAF Cc1cc(Nc2nc(C(=O)N3CCC(N)CC3)nc3ccc(Cl)cc23)n[nH]1 1772623742 UTFKJYFRHSSYPD-UHFFFAOYSA-N 385.859 2.622 0 1 GFAF CN(C=O)CCc1cc2c(cc1-c1cc3ccc4c(c3cn1)OCO4)OCO2 13408624 JXCSTESBYFFJSF-UHFFFAOYSA-N 378.384 2.990 0 1 GFAF biogenic,in-vitro CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 2928899 WBAVCJQQCFWSHL-OAHLLOKOSA-N 375.494 2.550 0 3 GFAF aggregator O=C1N[C@@H](Cc2ccccc2)c2nc3cc(F)ccc3c(=O)n2-c2ncccc21 61921457 GUARQYASMAPBSX-SFHVURJKSA-N 386.386 2.947 0 3 GFAF COc1cc(C=C2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC 2356559631 GAPBUDODJXGASP-CQSZACIVSA-N 384.384 2.937 0 1 GFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(Cl)cc2)n1 2356621337 XHQKOTDZMACBQD-MTQWCTHYSA-N 389.927 2.944 0 1 GFAF COC1=C2C=CO[C]2Nc2c1ccc(OC[C@H](OC(C)=O)C(C)(C)O)c2OC 2356821875 MVYQDXFIOGBNIF-HNNXBMFYSA-N 390.412 2.593 0 1 GFAF CNc1nc2[nH]c(-c3cccc(C4(NC(C)=O)CC4)n3)cc2c2c1ncn2C 73165164 FJYCDJHXNBOPQY-UHFFFAOYSA-N 375.436 2.679 0 1 GFAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(F)c1)CC3 82196190 PRKUERPWNGSXPL-UHFFFAOYSA-N 392.390 2.859 0 1 GFAF CC(C)S(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 143225021 HRLPJPJKHNXFLW-UHFFFAOYSA-N 398.488 2.752 0 1 GFAF CCC(=O)N1[C@H](CN(CC)C(C)=O)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO 95895306 DMYQOUWKCURJRZ-FUPPJEDESA-N 395.503 2.682 0 1 GFAF Cc1ccc(Cn2nnc3c2-c2ccccc2S(=O)(=O)N(C2CC2)C3)cc1 96019386 CCPGEERBXQJLFO-UHFFFAOYSA-N 380.473 2.969 0 3 GFAF O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cccnc1 95894729 MLJFMAHJLRFJJA-AOIWGVFYSA-N 391.393 2.710 0 1 GFAF CC(=O)N1CCC(c2nccnc2OC2CCN(c3ccccn3)CC2)CC1 96169028 LZUDCCONNDYLQU-UHFFFAOYSA-N 381.480 2.645 0 1 GFAF CC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95895564 HSESRDNFSLKVBL-YTFSRNRJSA-N 392.499 2.945 0 1 GFAF COC(=O)c1cccc(-c2nc(OC)[nH]c(=NCCc3ccc(F)cc3)n2)c1 473162793 MUQPNAKSDVSGRJ-UHFFFAOYSA-N 382.395 2.549 0 1 GFAF COC(=O)C(=O)C[C@]1(c2cccc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441643 GOMQVQCYYCLSQE-OPAMFIHVSA-N 380.396 2.779 0 1 GFAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587080897 VATRFFHPLXBNGU-CYBMUJFWSA-N 389.868 2.588 0 1 GFAF COC(=O)c1ccc(C=O)c([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963233749 QAICFZHAFQCRNX-VQTJNVASSA-N 390.395 2.522 0 1 GFAF COc1cc([C@@H]2NCCc3c2c(C(C)C)nn3C)c(Cl)cc1OCC(=O)O 962912656 AIVXLZWSIKDCTF-IBGZPJMESA-N 393.871 2.904 0 1 GFAF CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)co2)CC1 13817434 OMSACAZYELQJHO-UHFFFAOYSA-N 398.507 2.906 0 1 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4Br)C[C@@H]32)n1 169701350 CTTAQNIKFVJOHR-CJNGLKHVSA-N 387.281 2.817 0 1 GFAF CC(C)[C@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)cc1 165867599 AMVRQSZMWIMTFE-FQEVSTJZSA-N 392.459 2.853 0 1 GFAF CNCc1cc2cc3c(cc2n1C)SCCc1c-3nc(O)c(C(=O)O)c1O 1857760839 APXASWWIHATNTJ-UHFFFAOYSA-N 385.445 2.717 0 1 GFAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 769440 JIVFPOLGVJBIKA-WNYOCNMUSA-N 384.480 2.504 0 1 GFAF COC[C@@H]1CCCN1C(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@@H](C)O 2356303020 JTXSNVCNAZKOEW-OCCSQVGLSA-N 390.436 2.663 0 1 GFAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NCCO)CC[C@H]4[C@@H]3CC[C@@H]12 3781394 RYYSYRHPOPBMEU-FEPXJFPZSA-N 376.541 2.575 0 1 GFAF COc1cc(N)c(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2C[C@@H]1CCCO1 101444627 ZCAJSDJHROYKRV-KFWWJZLASA-N 393.915 2.835 0 1 GFAF O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1C[C@@H]1CCCO1 59288546 ACIGYBBWLJMRHH-NSHDSACASA-N 390.789 2.822 0 1 GFAF COc1cccc(CNC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)c1 101787948 HBJVSCFXEXRHTG-UHFFFAOYSA-N 379.445 2.875 0 1 GFAF COc1cc2c(c(OC(C)=O)c1OC)-c1cccc(=O)cc1[C@@H](NC(C)=O)CC2 27849880 RPZUKVMKOKOGEF-SFHVURJKSA-N 397.427 2.780 0 1 GFAF O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(-c2ccccc2)nn1 22941865 XYJHBYUHGOXXDP-UHFFFAOYSA-N 387.487 2.900 0 1 GFAF CS[C@@H]1NC(=O)[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)N(C)C1=O 2356796742 NMQSSHOBHPHGEF-LPHOPBHVSA-N 394.562 2.911 0 1 GFAF CCOC(=O)[C@@H]1CC(C(=O)c2cc(OC)ccc2N)=NN1Cc1ccccc1 40916562 VTIFCHAIJVJUIJ-IBGZPJMESA-N 381.432 2.654 0 1 GFAF O=C([C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1)N1CCCCC1 82085296 YCDDFZNDJDPLEI-MRXNPFEDSA-N 397.431 2.687 0 1 GFAF COc1cccc([C@H]2CN(c3ncnc4cc(OC)c(OC)cc34)CCN2)c1 43193788 UOTSBRNCNJRGNJ-GOSISDBHSA-N 380.448 2.807 0 1 GFAF O=C(C1CC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO 95873281 GJAAWTSXJPMCFX-VJBWXMMDSA-N 391.515 2.910 0 1 GFAF CS(=O)(=O)c1ccc(-c2ccc3c(NC4CCC4)c(C(N)=O)nnc3c2)cc1 95589318 DVEKPOFBEAWBKW-UHFFFAOYSA-N 396.472 2.764 0 1 GFAF Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cnccc4C)cn23)n1 95554143 NECBLBSHQGQKDS-UHFFFAOYSA-N 398.434 2.914 0 1 GFAF CCOC(=O)COc1cc(O)c2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1 96273321 VSAHDTCJKXELSL-UHFFFAOYSA-N 398.367 2.879 0 1 GFAF Cc1ccc(OC[C@H](O)CN2CCOCC2)c(C(=O)CCc2ccccc2)c1 96941811 DMVBCSPGSPNYJD-HXUWFJFHSA-N 383.488 2.882 0 1 GFAF N[C@H](CCc1ccc(O)cc1)[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 299827322 GEYBDNKUHPHUFQ-WMZOPIPTSA-N 377.377 2.824 0 1 GFAF CCOC(=O)[C@@H]1CCc2ccncc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587436381 PQFYHEMLMPNKEB-DMPWYTOCSA-N 379.412 2.859 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(OC)c3O)[nH]c2c1 587787780 YPVBEXUKGANGHU-UHFFFAOYSA-N 375.450 2.975 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@@H](CN[C@H]1C(=O)O)C3 586989358 GEGQTJCJBVYELX-ZFXASYOHSA-N 386.407 2.539 0 1 GFAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 586922702 YPQLEBLPZJOTIZ-UHFFFAOYSA-N 399.516 2.780 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCCN(C(C)=O)C1 587869464 IPLUYWPLFOTCFI-ZDUSSCGKSA-N 396.369 2.871 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(CS(=O)(=O)O)C3(C)C)O2 587410626 TYPPJFXTOXLUAP-ZUSMLRIVSA-N 379.478 2.995 0 1 GFAF Cc1ccc(C)c(CN2CCC3(CC[C@@H](CNC(=O)c4ccnn4C)O3)CC2)c1 11910388 VHUKNBSXJBTMJN-FQEVSTJZSA-N 396.535 2.981 0 1 GFAF Cc1c(CC(N)=O)c2c(OCP(=O)(O)O)cccc2n1Cc1ccccc1 13445963 FOBJTTPHUGXZIA-UHFFFAOYSA-N 388.360 2.540 0 1 GFAF Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(N2CCN(CCO)CC2)n1 1857541858 CHBGLPMRVYBFEU-UHFFFAOYSA-N 396.520 2.766 0 1 GFAF Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccco3)CC2)cc1 2938378 BDQCFHBVYPQZME-UHFFFAOYSA-N 390.505 2.989 0 3 GFAF CC[C@@H](Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1)C(=O)OC 104154162 KOUZEULVTMGOPO-GFCCVEGCSA-N 378.841 2.758 0 3 GFAF C[C@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 28711434 CTVPYJMHXKDJPR-WFASDCNBSA-N 383.383 2.558 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2356740774 JDQWKADNJIUBND-ZCZGVDJXSA-N 390.520 2.575 0 1 GFAF CO[C@H](CN)c1cc(Br)c(OCCCN)c(Br)c1 2356799266 UFVCDVMHSXMFPW-LLVKDONJSA-N 382.096 2.585 0 1 GFAF c1ccc2c(c1)CC(Nc1cc(N3CCNCC3)nc(Nc3ccncc3)n1)C2 45301497 REBGSWBYORIRGA-UHFFFAOYSA-N 387.491 2.604 0 1 GFAF CC(C)CN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1 82214700 OAVGDODWOOXVPJ-QGZVFWFLSA-N 395.507 2.573 0 1 GFAF CC(C)Cc1sc(-c2cscn2)nc1C(=O)NCCCCC(=O)NO 147352349 OCGYDCSERRFPRZ-UHFFFAOYSA-N 382.511 2.871 0 1 GFAF CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F 95794747 YZAOSHCLUDBABW-JKSUJKDBSA-N 385.430 2.572 0 1 GFAF O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 95893459 QOIZBCOVSIRXJY-NUJGCVRESA-N 396.409 2.831 0 1 GFAF Cc1cc(C)nc(N[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-n2nccn2)n1 473170600 BCKTWYXNOANCFL-HHXXYDBFSA-N 389.463 2.532 0 1 GFAF O=S(=O)(NCc1nc2c(Cl)ccnc2[nH]1)c1ccc(F)c(F)c1F 587133799 ALGIHLHQXGVPFE-UHFFFAOYSA-N 376.747 2.507 0 1 GFAF C[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc(Br)cn1 587651280 PRXQGWDVMZMMQA-MRVPVSSYSA-N 381.617 2.910 0 1 GFAF N=c1nc(O)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c[nH]1 587253362 JKRPJWYRTPTJDV-UHFFFAOYSA-N 390.119 2.799 0 1 GFAF CC1(C)OC(=O)C([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O1 587619805 ZJHMMCGBUHZJFO-QKKBWIMNSA-N 398.367 2.565 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1C)[C@@H](C2)C3=O 587435174 DGNZXONCKPVAJF-YLTSQODRSA-N 387.432 2.985 0 1 GFAF COc1ccc(COC(=O)[C@H]2C(C)=NC(=O)N[C@H]2c2ccc(O)c(OC)c2)cc1 169687902 JUVFMQWJTXLNII-OALUTQOASA-N 398.415 2.994 0 1 GFAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1c[nH]c2ccccc12 4163289 HIFDOUATSGPYEI-IBGZPJMESA-N 389.411 2.732 0 3 GFAF COC(=O)c1ccc(C)c(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]c2=O)c1 103250282 IKEGFWWGERPFMP-UHFFFAOYSA-N 396.399 2.893 0 1 GFAF COc1ccccc1N1CCN(CN2C(=O)C[C@@H](c3ccccc3C)C2=O)CC1 101493571 OFFIEJQUHKHKQN-IBGZPJMESA-N 393.487 2.626 0 1 GFAF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCCNCC3)c(F)cc2c1=O 29330286 GBHCSYJUZBIWNM-UHFFFAOYSA-N 399.397 2.767 0 1 GFAF COc1cc(C(=O)N[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C2)cc(OC)c1C 28460121 ORNMFWZLENLBIQ-QGZVFWFLSA-N 398.459 2.745 0 1 GFAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1)C(=O)OC(C)(C)C 28528525 CPWZKEJFYTUKKX-SNVBAGLBSA-N 392.843 2.775 0 1 GFAF CC1=CC(=O)O[C@H](C[C@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)C=CCC1 2356427674 JDROCHDFKUSVDQ-MWIANEHASA-N 397.537 2.938 0 1 GFAF COc1cc2c(cc1C(=O)Nc1cnn(Cc3c(C)noc3C)c1)OCCO2 115731178 RXDSAEQFTHACLK-UHFFFAOYSA-N 384.392 2.568 0 1 GFAF O=C(OC[C@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 29127528 FBVWKTUJMLHDDG-CQSZACIVSA-N 395.242 2.901 0 1 GFAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2cccs2)C(=O)[C@@]31C 2153242 IVKRNAVUURUOPD-OAQYLSRUSA-N 395.484 2.880 0 1 GFAF biogenic CN(C)CCN1C(=O)c2cccc3c(NCCCCCCO)ccc(c23)C1=O 73239966 XGIFURRBGJHBHN-UHFFFAOYSA-N 383.492 2.962 0 1 GFAF COc1c2ccoc2c(OC[C@@H](OC(C)=O)C(C)(C)O)c2oc(=O)ccc12 13380835 LCMMQFCZXXSQDH-CYBMUJFWSA-N 376.361 2.629 0 3 GFAF biogenic CC(C)(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 49070297 YNMAPZJEQOESIO-FQEVSTJZSA-N 393.491 2.518 0 1 GFAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 82198594 AWTIKGXAYFOOSE-AUKIJFNYSA-N 388.508 2.589 0 1 GFAF CN(C)CC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccccc3F)ccc1N(C)[C@H]2CO 95878445 QJVRZUCWRMQCQN-FRGLQRNOSA-N 397.494 2.755 0 1 GFAF COc1cccc(CN2[C@@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CC2)C3)c1 95668453 ACLBXTRLCZDZIR-FCHUYYIVSA-N 392.499 2.647 0 1 GFAF COC(=O)c1cc(-n2c(O)cc(C(=O)O)c2O)c(Cl)cc1Br 587937668 VCZWXJKGYOBUGN-UHFFFAOYSA-N 390.573 2.789 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCN4CCOCC4)c1)[C@@H](C2)C3=O 587440698 BPVJWPOTWTZHQG-CVDCTZTESA-N 395.455 2.895 0 1 GFAF CN1CCc2cnn(C)c2[C@H]1c1ccc(I)c(F)c1F 963953984 FHFZYOWMZIMCHU-CQSZACIVSA-N 389.187 2.880 0 1 GFAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(Sc3nc[nH]n3)o2)N1 963240783 ZMMPEJOCBQKVEW-RHSMWYFYSA-N 393.428 2.785 0 1 GFAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(N[C@@H]2CCOC2)cc1F 1772601386 RUYBNJLLFWMLFN-MRVPVSSYSA-N 377.850 2.937 0 1 GFAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CC(O)C1)C(=O)N2 1772640144 YNXQTBXDYVGWSD-QFIPXVFZSA-N 375.428 2.831 0 1 GFAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Oc1cccc2cccnc12 13153459 JNZQRBWGCFZPOE-ODSSTKGDSA-N 388.423 2.583 0 1 GFAF O=C(O)Cc1nn(Cc2nc3c(F)c(F)ccc3s2)c(=O)c2ccccc12 13860762 FPZSNEKYGROILV-UHFFFAOYSA-N 387.367 2.960 0 1 GFAF COCc1nc(C)nn1-c1cc([C@H]2C[C@@H]2c2nc3ccccc3n2C)nc(C)n1 205294290 BCXVMJGBVMARTJ-GJZGRUSLSA-N 389.463 2.978 0 1 GFAF CC(C)NC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@H]1O 2356316339 XWGCKTGTYRUWOU-NQYIODQTSA-N 378.557 2.865 0 1 GFAF Cc1oc(-c2cccs2)nc1C[S@@](=O)CC(=O)NCCCOC(C)C 3959269 ZXLHAVRXMWZOSL-VWLOTQADSA-N 384.523 2.892 0 3 GFAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@@H](NC2CCCCC2)C[C@H]1O 2356288914 MSLIBGXSMBCYQH-MYGLTJDJSA-N 381.520 2.966 0 1 GFAF COc1cc(CC(=O)NC/C(=C\Cc2ccccc2)COC(C)=O)ccc1O 26738547 QPWNWAFINCAXBZ-DJKKODMXSA-N 383.444 2.792 0 1 GFAF COc1ccc2c(c1)[C@H](O)[C@H]([C@H]1COc3ccc4c(c3[C@H]1O)CCCO4)CO2 2356500750 AYFYREJCCXAGKG-KFVVBQDRSA-N 384.428 2.804 0 1 GFAF COC(=O)c1cnc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)s1 28902268 MFUFGIWZXLEILE-MRVPVSSYSA-N 384.417 2.510 0 1 GFAF O=C1N[C@@H](O)c2c1c1c(c3c2=c2cc(Cl)ccc2=N3)N=c2ccc(Cl)cc2=1 2356856558 SBDPBHKIEZQBPX-IBGZPJMESA-N 394.217 2.831 0 1 GFAF CN1CC[C@H](N(C)CCC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 77303694 BRQUHCNACAZWJT-KRWDZBQOSA-N 379.932 2.736 0 1 GFAF COc1ccccc1[C@H]1OC(c2cc(OC)c(OC)c(OC)c2)=NN1C(C)=O 45245298 JLOQSJBUUICHKJ-HXUWFJFHSA-N 386.404 2.960 0 1 GFAF CCOC(=O)/C(=C/c1ccc(Cl)cc1)Cn1nnn(-c2ccccc2)c1=O 98083099 AJTTZMBAVAKMAT-NTCAYCPXSA-N 384.823 2.729 0 1 GFAF Oc1nc(O)c2ccc(-c3cc(I)ccc3F)nc2n1 587369941 RXINHGLGCQRGOO-UHFFFAOYSA-N 383.120 2.847 0 1 GFAF CCCCS(=O)(=O)N[C@H](c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(C)C 586933239 NZVHGEANRNOONJ-INIZCTEOSA-N 397.497 2.775 0 1 GFAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(C)C 586933846 YSIPURCNZBEMIP-MRXNPFEDSA-N 380.514 2.681 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587165485 XCRMJGICNAWASO-UHFFFAOYSA-N 399.451 2.864 0 1 GFAF Cc1ccc2oc(N)c([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)c(=O)c2c1 962920387 FEQGXTGLXDCBQH-LJQANCHMSA-N 377.444 2.621 0 1 GFAF CCOC(=O)C[C@@]1(c2cccnc2)NCCc2cc3cccc(OC)c3nc21 963059010 RQLOZRYCXYPVHV-QFIPXVFZSA-N 377.444 2.981 0 1 GFAF COc1cccc2cc3c(nc12)[C@]1(NCC3)C(=O)[C@@]2(C(=O)O)CC[C@H]1C2(C)C 963059243 PVEZXMCURBHOSL-ARBPTSGCSA-N 380.444 2.674 0 1 GFAF CSCCCN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 11843808 KNGUHZSVEWZFAA-GOSISDBHSA-N 390.597 2.627 0 1 GFAF COc1cc(CN(C)C)c2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2 169308039 QMHQSXNMSZVFJE-UHFFFAOYSA-O 379.436 2.855 0 1 GFAF COc1ccc(OC(C)(C)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](C(N)=O)(C4)C3)cc1 100036578 MNVKIDPRYUGTTG-YINOZDTMSA-N 386.492 2.649 0 1 GFAF in-vivo CCN(CC)C[C@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 22863745 CNAPNWNCRWDJDE-ZWKOTPCHSA-N 386.540 2.947 0 1 GFAF CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(Cl)cc1 27310328 MGSQIJKBYOYTMF-ZIAGYGMSSA-N 383.853 2.637 0 1 GFAF CC(=O)O[C@H](CC(C)=CCCC(C)=CCCC(=CCO)CO)[C@@H](O)C(C)(C)O 2356590076 DBAHGLBNNDLYHN-NHCUHLMSSA-N 398.540 2.804 0 1 GFAF C[C@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)[C@@H]1C 61916056 JDPIQTJSTHWUOZ-CSHUHZATSA-N 396.491 2.572 0 1 GFAF CNC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(N2CCNCC2)n1C 40753047 ORJGJCSAGZNHDP-UHFFFAOYSA-N 393.466 2.662 0 1 GFAF C[C@H]1CNC(c2cccc(NC(=O)Nc3cccc(C4=N[C@H](C)CN4)c3)c2)=N1 45338368 FADOZRBISJANQU-OKILXGFUSA-N 376.464 2.807 0 1 GFAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1F)CC3 82196063 NPUOTPPFFFLZPU-UHFFFAOYSA-N 392.390 2.859 0 1 GFAF CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1ccc(F)cc1 95895020 MJDWAAMJSXRTDT-UFYCRDLUSA-N 399.466 2.504 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 238753485 YTKUUOVYXFLJGW-YWPKYKSWSA-N 378.465 2.897 0 1 GFAF Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](Cc4nnn[nH]4)CC3)cc2)nc1C(N)=O 254134047 IMWRAMRCTOCWEX-SHTZXODSSA-N 391.479 2.889 0 1 GFAF CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O 653813151 FIEMEGHBBJADPG-LBPRGKRZSA-N 384.484 2.818 0 1 GFAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587039582 GYBDQMLPQQEHEQ-LBPRGKRZSA-N 385.467 2.792 0 1 GFAF COc1nccc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 587182551 QGZVALOGHBMFCK-QMMMGPOBSA-N 383.193 2.685 0 1 GFAF N=c1[nH]c2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc-2c(Cl)[nH]1 587171288 KYUOHEFODMCAJE-UHFFFAOYSA-N 388.765 2.965 0 1 GFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 962942864 CGQLJUXRKAMLEI-XMHCIUCPSA-N 375.428 2.767 0 1 GFAF Cc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCOCC3)n2)on1 203004122 DPTGOUZNUBDAJT-UHFFFAOYSA-N 396.455 2.566 0 1 GFAF CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc[nH]1 3416627 IDXLTKPUQNMXTC-HNNXBMFYSA-N 394.880 2.946 0 3 GFAF C[C@H](N=c1nc(CNCCOc2ccccc2)nc(N(C)C)[nH]1)c1ccccc1 1857648480 CHLCGBCTZGRSBS-KRWDZBQOSA-N 392.507 2.701 0 1 GFAF Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)cc1 4984992 WDMQRCDQEFLFDP-IBGZPJMESA-N 377.444 2.975 0 3 GFAF COc1ncccc1C(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55282377 NTTPZCPMWYKWTK-LJQANCHMSA-N 398.482 2.656 0 3 GFAF COc1cc2c(cc1OC)[C@@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CCC2 26180778 YOAWEZVRKFEZKN-SFHVURJKSA-N 386.492 2.942 0 1 GFAF COc1ccc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)N=C3O)c1 26638280 FKVCUFXELJJDFJ-UHFFFAOYSA-N 389.452 2.571 0 1 GFAF CCO[C@H](c1ccc(O)c(OC)c1)[C@H](CO)c1cc(OC)c(O)c(OC)c1 2356474694 BSQYVZGVZUMJNE-JLTOFOAXSA-N 378.421 2.977 0 1 GFAF CCCCN[C]1NC2=C(C[C@H]3[C@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@H]2CC(=O)O)S1 2356844824 WCDXFSLEEJUPMV-LJVQTJPMSA-N 397.561 2.641 0 1 GFAF COc1cc(C[C@@H]2COC[C@@H]2[C@H](O)c2cc(OC)c(O)c(OC)c2)ccc1O 13380184 XYTZIYNRZGBMDA-QEEYODRMSA-N 390.432 2.662 0 1 GFAF biogenic CCC(CC)CNc1c2n(c(=O)n(CCc3scnc3C)c1=O)[C@H](C)CN2 82211679 WOHDNGKVDVJNRA-GFCCVEGCSA-N 391.541 2.852 0 1 GFAF CCOc1ccc(CCNc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)cc1 82212940 HTJRPXIMDIFJJC-SFHVURJKSA-N 383.496 2.553 0 1 GFAF O=C(O)[C@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)Nc1ccccc1 95555991 MTOPWASOGKNAQK-GOSISDBHSA-N 376.416 2.975 0 1 GFAF Cc1nn(C)c2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 144856880 BOSKQVUEUWJLFT-LLVKDONJSA-N 396.426 2.632 0 1 GFAF c1cc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c2cn[nH]c2c1 95596007 FTERFRVZARDIFW-UHFFFAOYSA-N 399.458 2.946 0 1 GFAF CCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@H]1C2 299813529 GLDQUPKNVVPTGP-YDHLFZDLSA-N 380.514 2.859 0 1 GFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 586948383 OMJJFXKNFIDJSB-UHFFFAOYSA-N 396.270 2.884 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](CCC(=O)OC)C(=O)OC)CC2=O 587480266 OIMNDZWGDXHDCG-JLTOFOAXSA-N 378.421 2.811 0 1 GFAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(C)C 586933139 NBUTWAGTSIXVEA-AWEZNQCLSA-N 397.497 2.775 0 1 GFAF COc1ccc([C@@]2(C)NCCc3nc4ccccn4c32)c(OC)c1OC(C)=O 962981063 DGGYPIGFQHPPAS-OAQYLSRUSA-N 381.432 2.686 0 1 GFAF CCOC(=O)CCN1CCC2(CC1)c1c(ccc(OC)c1OC)C[C@H](C)N2C 962575043 VNBQQKZFOKHRAH-INIZCTEOSA-N 390.524 2.825 0 1 GFAF Cc1cn2cc(NC(=O)c3ccc(N4CCN[C@H](C(C)C)C4)cc3F)ncc2n1 1772571954 FVQIKWGKFNLGTQ-SFHVURJKSA-N 396.470 2.863 0 1 GFAF CN1N=C(C(=O)N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CCC1=O 11841062 ZZHBNZUAQCIMLS-ZDUSSCGKSA-N 395.381 2.735 0 3 GFAF CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 13817415 HUIUQPNWNWZOTQ-UHFFFAOYSA-N 398.507 2.906 0 1 GFAF CC(C)C(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344597 WXJKTTVGVITSOL-UUSOTWBNSA-N 395.499 2.862 0 1 GFAF c1ccc(CCN2CCN(CCN[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 1857596309 LDHQGSKKOPJLBF-VWLOTQADSA-N 392.591 2.711 0 1 GFAF CN(C(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)C1CCCCC1 2467770 BGWVVJYUDXQYKJ-UHFFFAOYSA-N 395.459 2.596 0 1 GFAF CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCO)cc1 4152171 YJJJWZRZUODGAE-CTNGQTDRSA-N 398.459 2.684 0 1 GFAF COc1ccc(Nc2ncc(OC(F)F)cc2-c2nc(C)nc(N)n2)cn1 113149080 WUBQQIHZKHWSLR-UHFFFAOYSA-N 375.339 2.573 0 1 GFAF Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2NCCN2CCOCC2)n1 20556806 JNHZIHUZMMXKOP-UHFFFAOYSA-N 386.887 2.830 0 1 GFAF CN(C)C[C@@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 29411266 JYAQSAVMVPPYHP-INIZCTEOSA-N 393.491 2.728 0 1 GFAF CCNc1nc(C)c(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)s1 38268005 TWVJVNNYNNBYED-UHFFFAOYSA-N 390.494 2.731 0 1 GFAF CO[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 14646997 HBOUIMWCFJKPNL-LRAJWGHMSA-N 384.384 2.691 0 1 GFAF biogenic CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](C(C)C)N3)cc1 82206266 CVIQTVMSGPCYLW-QGZVFWFLSA-N 399.495 2.612 0 1 GFAF CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(OCCF)cc2C1=O 95596943 FSJSTHWSUJSLCK-UHFFFAOYSA-N 375.400 2.762 0 1 GFAF CCC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95895221 SESYIFBSAZWGOZ-XPNTWCBSSA-N 392.499 2.945 0 1 GFAF C=CN1CC[C@H]([C@@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587438845 ROPPFRBAGWBODQ-WJONJSRFSA-N 376.412 2.725 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C(O)O)N1 587731336 LJTDCUNMCYFJBG-XYZCENFISA-N 384.220 2.816 0 1 GFAF Cc1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2n1 586945042 BWDVGOHFZRIOMM-AWEZNQCLSA-N 386.477 2.699 0 1 GFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 586941428 STGRMANMWCZASI-TWGQIWQCSA-N 385.445 2.733 0 1 GFAF NS(=O)(=O)c1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587127419 UGLQOWMAQRJUGS-UHFFFAOYSA-N 397.338 2.652 0 1 GFAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(O)c2c[nH]nc2n1 587658405 PKAIWXWPZGRYDX-UHFFFAOYSA-N 392.325 2.703 0 1 GFAF COC(=O)c1nn(-c2ccccc2)cc1[C@@H]1NCCc2c1c(C(C)C)nn2C 962907866 JLFXMVRWLLJZSL-IBGZPJMESA-N 379.464 2.751 0 1 GFAF COC(=O)c1[nH]c2cccc(OC)c2c1[C@@H]1NCCc2nc3ccccn3c21 962987223 VIBYBPKEWDQZPE-SFHVURJKSA-N 376.416 2.846 0 1 GFAF O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@H]([C@H]6[C@H]51)N2Cc1ccc(I)cc1 169295918 LTAWJWNPMAZAIW-LSTFAGSVSA-N 391.252 2.552 0 1 GFAF CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc(F)cc1 169300713 XJTOZJAEUQGOBW-NEYJZJCJSA-N 394.439 2.769 0 1 GFAF N#CN1CC[C@@H](NC(=O)c2ccc(Nc3nccc(C4CC4)n3)c(F)c2F)C1 1857558757 XSXTXDWCAMVUOX-GFCCVEGCSA-N 384.390 2.661 0 1 GFAF CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NC3CCCC3)cc2C[C@@H]1C 4435864 YFUGMDFHRJBNQG-AWEZNQCLSA-N 392.521 2.597 0 3 GFAF COC(=O)[C@H]1CC(=O)N(c2cccc(OCc3nc4ccccc4n3C)c2)C1 27318574 ZDDGZJOYZDTYGI-AWEZNQCLSA-N 379.416 2.678 0 1 GFAF Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)c(C)c1C 29057133 IJMHFPIVVQMWGO-UHFFFAOYSA-N 379.420 2.760 0 1 GFAF O=C(O)CC[C@H](N[P@](=O)(O)OCc1ccc(-c2ccccc2)cc1)C(=O)O 116773407 DATQTWKKBHKLSV-INIZCTEOSA-N 393.332 2.878 0 1 GFAF in-vitro CN1C[C@H](c2cnc[nH]2)[C@@H]([C@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 2356583869 KRIWASATEVGMCG-RLLQIKCJSA-N 375.428 2.971 0 1 GFAF CS[C@H]1NC(=O)[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)N(C)C1=O 2356796744 NMQSSHOBHPHGEF-VQIMIIECSA-N 394.562 2.911 0 1 GFAF CC1=C[C@H](CN(C)CCO)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356853064 QVXYEYWOVRWSFJ-RCCFBDPRSA-N 387.528 2.791 0 1 GFAF Cn1c2cc([S@](C)=O)sc2c2cnn(Cc3ccccc3F)c(=O)c21 36380224 QWORNIYQFHGHHU-RUZDIDTESA-N 375.450 2.875 0 1 GFAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@H](O)[C@]56CO[C@H](C[C@H]1[C@H]2OC(C)(C)O4)[C@H]36 504679162 ROMZGRYIOOHATE-DECBEFFSSA-N 390.520 2.934 0 1 GFAF biogenic C/C=C(\C)C(=O)O[C@@H]1C[C@@H](O)[C@H](O[C@H](C)CCCC/C=C/C(=O)O)O[C@H]1C 219954424 NKVDNSIHZYHTDR-KADWPSLISA-N 384.469 2.967 0 1 GFAF in-vitro CS(=O)(=O)NC1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72184307 LXLNSQPCJSVDOK-SFHVURJKSA-N 397.903 2.977 0 1 GFAF Cc1c(Sc2ccccc2)n(OCCOCc2ccccc2)c(=O)[nH]c1=O 98085784 VSVYBDIWAFAPMV-UHFFFAOYSA-N 384.457 2.642 0 1 GFAF C[C@]1(CCc2ccccc2)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O 96909305 BKPVSPKFWCAIKT-HSZRJFAPSA-N 396.487 2.589 0 1 GFAF COc1cc2c(cc1OC)[C@H](c1cc3c(cc1O)OCO3)[C@H](C)[C@](C)(O)C2=O 238763990 OZRMWBSRSFROHU-REONUQHCSA-N 386.400 2.853 0 1 GFAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CCCO1 299821180 ZCAJSDJHROYKRV-LXTVHRRPSA-N 393.915 2.835 0 1 GFAF NS(=O)(=O)Cc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 586929409 BMYZMCNQRTWPFN-UHFFFAOYSA-N 384.230 2.920 0 1 GFAF CC[C@]1(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)CC(=O)c2ccccc2C1 587962335 XPESGICCMYNRAM-HXUWFJFHSA-N 383.473 2.978 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(F)cnc2[nH]1 586945926 MVMYKWYGKMAQSO-ZDUSSCGKSA-N 390.440 2.530 0 1 GFAF CCO[C@@H](C)c1ccc([C@@]2(CN)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963527985 RNPTVOVMERNVKS-VELBRHGASA-N 384.476 2.599 0 1 GFAF NC[C@]1(c2ccccn2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963164999 BDPXTOFZVUNHRD-BBRMVZONSA-N 385.773 2.555 0 1 GFAF N=C1NC(=N)N(OCCCOc2cccc(Cl)c2)C2(CCSCC2)N1 1772584943 ICQVWLCDSBRVHH-UHFFFAOYSA-N 383.905 2.628 0 1 GFAF CC(C)CC(=O)c1ccc2c(c1)/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 13470458 VNLUDQKOXAUGAO-BOPFTXTBSA-N 399.472 2.968 0 1 GFAF COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)cc1 13660647 YSLXFKIOMUGVIN-ORYQWCPZSA-N 390.487 2.779 0 3 GFAF CC(=O)N1c2ccc(-c3cnn(C4COC4)c3)cc2N(C(=O)C2CC2)C[C@@H]1C 1857754341 IZGKRXAIBAPJKA-ZDUSSCGKSA-N 380.448 2.619 0 1 GFAF CC(C)C[C@@H](NC(=O)c1cccc(-c2ccncc2)c1)C(=O)N(C)N(C)C#N 220254943 CBSKIJPTSBDIFC-LJQANCHMSA-N 379.464 2.679 0 1 GFAF CC[C@@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccccc1C 103623249 OBIXYDBRVUMBSU-GFCCVEGCSA-N 384.509 2.973 0 1 GFAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccoc1 101129192 XOVUJMYKTAPPTR-CYBMUJFWSA-N 383.404 2.590 0 1 GFAF CN1CCN(c2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)CC1 28826945 VSFIYAYRTKMILQ-UHFFFAOYSA-N 395.492 2.996 0 1 GFAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@@H]13)[C@@H]2O 101624904 OIFIZUGEZGVEFS-UELFGNJUSA-N 384.476 2.582 0 1 GFAF CCNC(=O)Oc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 66252050 VJBCCMPQUXMJAW-UHFFFAOYSA-N 381.476 2.682 0 1 GFAF Cc1ncc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCCOCC2)cn1 217086870 IYQDITIRGJDAPE-KRWDZBQOSA-N 392.862 2.771 0 1 GFAF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC[C@@H](O)C2)cc1 84616733 QUCFBBLJJJLZIR-OAHLLOKOSA-N 383.473 2.732 0 1 GFAF CCOc1ccc2cc(-c3nn([C@H](C)C(C)(C)CO)c(N)c3C(N)=O)cnc2c1 221798856 QETVBRLPQMGMBP-GFCCVEGCSA-N 397.479 2.758 0 1 GFAF CC(C)NC(=O)N1[C@@H]2CN(C(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO 95893672 GNSWPWOIIGOOPU-AABGKKOBSA-N 397.450 2.733 0 3 GFAF CC(=O)N1[C@H](CN(CC(C)C)C(=O)c2ccccn2)[C@@H](c2ccccc2)[C@@H]1CO 95895964 JYEONRJNSJJOQW-BHIFYINESA-N 395.503 2.555 0 1 GFAF OCC1CCN(c2nccnc2OC2CN(c3nc4ccccc4s3)C2)CC1 299841371 ZLTVSWBCHPHOOM-UHFFFAOYSA-N 397.504 2.563 0 1 GFAF NNc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccn1 587656117 FUIAULXEIYNDHN-UHFFFAOYSA-N 393.353 2.711 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c12 587059571 STXGCYGXYBGSRD-ZDUSSCGKSA-N 378.885 2.709 0 1 GFAF COC1=COC(C(=O)O)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587833869 PPQUXQQNMLERAS-VPTHRUTESA-N 384.201 2.804 0 1 GFAF CCOc1ccc(Cc2cc([C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3O)ccc2Cl)cc1 1772645636 YCEUTZKYUQXUCF-SDWDLRMZSA-N 392.879 2.872 0 1 GFAF O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)CN[C@H](CF)C2 13581933 LHAKXFHKVJOKTQ-ITOSSNOYSA-N 378.513 2.918 0 1 GFAF COc1ccc(CCN(C)[C@@H]2CCCN(c3ccnc(N(C)C)n3)C2)cc1OC 1857555627 ACEGJZLIPJZVKL-GOSISDBHSA-N 399.539 2.703 0 1 GFAF Cc1cccc(SCc2noc(C(=O)NC[C@@H]3CCCO3)c2C(=O)O)c1 8672409 XNPUMPIJCRSEOB-LBPRGKRZSA-N 376.434 2.882 0 3 GFAF CCOC(=O)N1[C@@H]2CC[C@@H]1CC(N1CC[C@@H](NC(=O)c3ccccc3C)C1)C2 101505644 PAINGJCKTPURNG-KZNAEPCWSA-N 385.508 2.951 0 1 GFAF COc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1 21289897 UJPJYIXFJSSTRL-UHFFFAOYSA-N 397.454 2.877 0 1 GFAF Cc1ccc2c(c1)[C@@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N[C@H](C)C(=O)N12 61949429 SQEALOQDYLKKJM-NAUBLBJESA-N 376.456 2.948 0 3 GFAF CC(=O)NCCNc1nc2cc(-c3cccc(Cl)c3)sc2c(=O)n1C 61902874 CFBJYCLUVQJJFV-UHFFFAOYSA-N 376.869 2.863 0 3 GFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CO)c4cccnc4)ncc23)ccn1 219761181 MRQQRGNANQYSCQ-KRWDZBQOSA-N 389.419 2.578 0 1 GFAF CC(C)N(CC[C@](CCN1CCOCC1)(C(N)=O)c1ccccc1)C(C)C 39254135 TZUSJEAELHDFDF-QFIPXVFZSA-N 375.557 2.641 0 1 GFAF CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)CC1 45259686 FRHRAPSVOIMXJY-FQEVSTJZSA-N 390.535 2.991 0 1 GFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(COCCCCN(C)C)cc1 199942787 XUSGVECLHSGBHX-UHFFFAOYSA-N 394.541 2.696 0 1 GFAF NC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82074346 GXFBHXOVHRTIEU-MRXNPFEDSA-N 381.457 2.611 0 1 GFAF COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cc(N)ccc2OC)c(OC)c1 84616133 LSJOESZIRQGQKI-BQYQJAHWSA-N 393.461 2.889 0 1 GFAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccccc3)cnc2O[C@@H]1CN(C)C 95711526 WYWRIWAKLMZJHI-JXXFODFXSA-N 383.492 2.530 0 1 GFAF CC1(C)CCc2c(ccc3c2O[C@@H]2COc4cc5c(cc4[C@@]2(O)C3=O)OCO5)O1 95486053 JAENCNMEYVVXFZ-GCJKJVERSA-N 396.395 2.743 0 1 GFAF biogenic,in-vitro Cc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5cccs5)C(=O)[C@H]24)O3)cc1 251462329 HSUDKTFLDVWKLH-GHDARCQNSA-N 394.496 2.655 0 1 GFAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587233997 YRLDCTZJNRILAC-RYUDHWBXSA-N 381.454 2.970 0 1 GFAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 586939717 RULXHNHLFLDPCX-QMMMGPOBSA-N 395.535 2.674 0 1 GFAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(C(N)=O)c3[nH]2)cc1 587245206 QHNOMWPVEOUNTM-UHFFFAOYSA-N 375.388 2.801 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cccnc1)CC2=O 587489386 LXAKNCCVZBUOMP-NRFANRHFSA-N 383.400 2.733 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc(CO)o1 963140255 JSOHAEVKYGIZPU-WCQYABFASA-N 380.422 2.564 0 1 GFAF Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2NCCc3c(C(=O)O)cccc32)cc1 963118582 GBNDVXGONNLYIE-HXUWFJFHSA-N 396.468 2.967 0 1 GFAF Cc1cc(NC(=O)N2CCC[C@@H](c3nnn4cnc5[nH]ccc5c34)C2)sn1 1772609166 QGLOJQGSJPZTLN-LLVKDONJSA-N 382.453 2.782 0 1 GFAF Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)cc4F)C3)c(N)c2c1C 1772631709 FDCVZVUPZFMXCW-UHFFFAOYSA-N 389.431 2.787 0 1 GFAF Nc1nc(N)c(F)c(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2)c1F 13445020 FIWNDQKXIBUIND-UHFFFAOYSA-N 383.337 2.973 0 1 GFAF NCc1cc(Oc2cccc(C(=O)NCc3nc4ccccc4o3)c2)ncn1 1857555195 IDKALBJKCGVADJ-UHFFFAOYSA-N 375.388 2.799 0 1 GFAF COc1ccc2c(c1OC)CN1[C@H](C(=O)O)Cc3cc4c(cc3[C@H]1C2)OCO4 1857559292 VODKHENZNPOMEU-CVEARBPZSA-N 383.400 2.541 0 1 GFAF Cc1cccc(N[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]2c2ccccc2)c1 220641297 BDZKULQRRABEFU-UXHICEINSA-N 396.516 2.997 0 1 GFAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21)C1CC1 148582601 QUEPTHRHPJWTRE-OAHLLOKOSA-N 394.443 2.858 0 1 GFAF COc1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)cc(OC)c1OC 4859334 HKNMFYZLUBEBAM-QGZVFWFLSA-N 386.448 2.929 0 3 GFAF O=C(Nc1ccc(-n2ccnc2)cc1)C1=C(O)C[C@H](Cc2ccccc2)NC1=O 100076051 JIFBGZWWWVPYRY-KRWDZBQOSA-N 388.427 2.754 0 1 GFAF CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(C)c2)n1 114769454 GEUCQIKRLMHPSP-HXUWFJFHSA-N 390.451 2.866 0 1 GFAF CC[C@@H](Nc1c(Nc2cccc(C(=O)NC)c2O)c(=O)c1=O)c1ccccc1 101278152 DWDQZBCRZBLUKE-CQSZACIVSA-N 379.416 2.655 0 1 GFAF COc1ccc2c(c1)[C@H]1NC(=S)N[C@](C)(O2)[C@@H]1C(=O)Nc1ccccc1C 103078598 OMEBMIFLGJRKPD-SQGPQFPESA-N 383.473 2.886 0 1 GFAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cnc(SC)n1Nc1ccccc1 103176156 LKRVVEWHHGULIQ-OAHLLOKOSA-N 387.465 2.671 0 1 GFAF CN(CCSc1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 27181031 CIIXCWMTRDNACA-QGZVFWFLSA-N 384.501 2.992 0 1 GFAF CCN(CC)CCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccn1 110663117 XEQTUEZWFDHATI-WOJBJXKFSA-N 393.487 2.765 0 1 GFAF O=C(c1ccccc1I)c1ccc2n1CC[C@H]2C(=O)O 25994717 ZWBPDJVVSDJUDG-SNVBAGLBSA-N 381.169 2.896 0 1 GFAF CNc1nccc(N2CCC(CC(=O)NCCN(C)C3CCCCC3)CC2)n1 65282089 RLPYLUTUYHYHIO-UHFFFAOYSA-N 388.560 2.506 0 1 GFAF COc1cc(C=C2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC 2356559630 GAPBUDODJXGASP-AWEZNQCLSA-N 384.384 2.937 0 1 GFAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cn1 61905375 BEIUFFZPKMCQAJ-SFHVURJKSA-N 391.383 2.823 0 3 GFAF CC(C)NC[C@H](O)COc1ccc2c(=O)cc(-c3cc(O)cc(O)c3)oc2c1 35793278 NGUOSJCZPQFPPX-INIZCTEOSA-N 385.416 2.609 0 1 GFAF COc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(-n4cccc4)cc32)cc1O 40951379 AXAGUGNJIAGPOV-AQTBWJFISA-N 389.411 2.592 0 1 GFAF Nc1nnc(-c2ccc3[nH]cc(-c4cnc(N5CCOCC5)cn4)c3c2)s1 145435864 NNPANFBXAYOEKG-UHFFFAOYSA-N 379.449 2.562 0 1 GFAF CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)NC(C)C 95895524 GADBNHUZOADWRD-QHAWAJNXSA-N 385.508 2.637 0 1 GFAF CCN1CCN(C(=S)SCc2cn(Cc3ccc(C)cc3)nn2)CC1 96285691 WCMONXKXSJZYBW-UHFFFAOYSA-N 375.567 2.790 0 1 GFAF COc1cc(O)c2c(=O)cc(C(=O)NCCCN(C)Cc3ccccc3)oc2c1 299858452 RUUBYQYTHLJKBF-UHFFFAOYSA-N 396.443 2.759 0 1 GFAF CCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@H]1C2 299813528 GLDQUPKNVVPTGP-KCQAQPDRSA-N 380.514 2.859 0 1 GFAF O=C(NCc1ccco1)c1ccc(CN2C(=O)c3ccccc3[S@@]2=O)cc1 299825421 JLCZCEVCGBDMNY-MHZLTWQESA-N 380.425 2.888 0 1 GFAF COC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1 587366482 OCPLRHIAKYCYPU-UHFFFAOYSA-N 390.193 2.581 0 1 GFAF CCOC(=O)[C@]1(c2nccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574899 CPYKZMNDZKMTTP-IERDGZPVSA-N 394.383 2.546 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cncc(Br)c2[nH]1 586951696 VDIVRKXKSAIBAN-UHFFFAOYSA-N 388.272 2.524 0 1 GFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3CC[C@@H](N)C3)[nH]c2c1 587247669 WVHXYQRCRFKOLF-QWHCGFSZSA-N 386.477 2.967 0 1 GFAF N=c1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c[nH]1 587171274 ODTUOCQEQHSCAQ-SFHVURJKSA-N 397.435 2.577 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229554 HWQIVIMNCKMMFK-UHFFFAOYSA-N 379.445 2.884 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587836156 RYCBLAIREJOCAA-MOCULFSLSA-N 386.261 2.917 0 1 GFAF Cc1csc([C@](O)(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)C(F)(F)F)n1 587094225 NKVYGMLRUIOUGR-OAHLLOKOSA-N 398.366 2.651 0 1 GFAF Brc1cccc(-c2cc(NCc3ccncc3)[n+]3[nH]cnc3n2)c1 12504458 YWBFPKPWMSWWEA-UHFFFAOYSA-O 382.245 2.980 0 1 GFAF in-vivo CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2cscn2)C1 13636843 OLAOYNPDGAUIBQ-INIZCTEOSA-N 386.521 2.872 0 3 GFAF Cc1cncc(C(=O)N[C@]23CCC[C@@](NC(=O)c4cccc(F)c4)(CC2)C3)n1 169710850 JJSGQCLDNBSOPP-NHCUHLMSSA-N 382.439 2.929 0 1 GFAF CCOc1ccc2cc(-c3nn(CC(C)(C)O)c4ncnc(N)c34)ccc2n1 1857546681 WBKCBPGFBUUFRC-UHFFFAOYSA-N 378.436 2.793 0 1 GFAF CC(C)(C)NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1Cl 1352530 GQZLCWFCWFIVCT-UHFFFAOYSA-N 390.900 2.930 0 3 GFAF O=C(C(=O)N1CCN(C(=O)c2ccsc2)CC1)c1c[nH]c2cccc(F)c12 1549923 VVIOIDFZAXDQCH-UHFFFAOYSA-N 385.420 2.536 0 1 GFAF NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccccc3)c(Cl)c2)c1N 26720445 CWDOQBFFEWASER-UHFFFAOYSA-N 390.230 2.545 0 1 GFAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(Cl)cc1 2356298095 UDEYGQNMOXDLQC-JZXOWHBKSA-N 399.988 2.671 0 1 GFAF Cn1c(CO[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2F)nc2ccccc21 2356302017 JXYDPRLOTCGYOJ-MAUKXSAKSA-N 389.452 2.501 0 1 GFAF CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 28703152 GQARBTXKMGQGGN-NRFANRHFSA-N 379.504 2.991 0 1 GFAF O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1-c1ccccn1 217119415 HIPFTGZPHHAYGJ-HXUWFJFHSA-N 387.483 2.898 0 1 GFAF COc1cc(N2CC(NC(=O)c3ccc4c(C)n(C)nc4c3)C2)c(Cl)cn1 1911570881 SSQRPWSQFSZSQL-UHFFFAOYSA-N 385.855 2.557 0 1 GFAF N[C@H](Cc1cc(Cl)c(Cl)c(-c2ccccc2-c2nnn[nH]2)c1)C(=O)O 45348996 HPJPOELCYUAXOI-CYBMUJFWSA-N 378.219 2.795 0 1 GFAF O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@@H]1c1ccccc1 49114869 CMEICMKJASGPDF-QGZVFWFLSA-N 384.486 2.960 0 1 GFAF Nc1ncnc2c1CN(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)C(=O)CO2 261107338 HOOHPNKJMSXQJN-HDJSIYSDSA-N 396.447 2.733 0 1 GFAF COc1ccccc1C(=O)c1cnn2c1[nH][n+](=O)c1ccc(C(F)(F)F)cc12 377825215 GNYPTZAKXSHDBG-UHFFFAOYSA-O 389.313 2.989 0 1 GFAF COc1cccc(NC(=O)Oc2ccc3nc4n(c(=O)c3c2)CCCN4C)c1 299834530 YPDYTVZLHYCEPD-UHFFFAOYSA-N 380.404 2.856 0 1 GFAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3ncc[nH]c-3n2)cc1 586943651 CJKTYVDDYMFGPM-UHFFFAOYSA-N 385.474 2.554 0 1 GFAF COc1cc(Br)c([C@H](N)c2nc3ccc(CO)cc3[nH]2)cc1OC 586974670 FUSYNIXQTZXBPV-INIZCTEOSA-N 392.253 2.883 0 1 GFAF N[C@H](N=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587162816 DVDMIUGBERIHNT-GOSISDBHSA-N 380.383 2.704 0 1 GFAF O=C(NCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc2c(s1)CCC2 587034230 FFXBMCDKXSTRPD-UHFFFAOYSA-N 396.516 2.875 0 1 GFAF Cc1nn(C)cc1C(=O)c1c(-c2cn(C)nc2C)[nH]c2c(C(=O)O)cccc12 587637749 HJBMSHMVIRXIJN-UHFFFAOYSA-N 377.404 2.848 0 1 GFAF N=c1nc2c(c[nH]1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578408 WQTLAVNOUCXFPB-UWJYYQICSA-N 375.384 2.788 0 1 GFAF O=C(O)CCC(=O)N[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 13741349 JMXUCPBUINCOSV-RTBURBONSA-N 383.444 2.912 0 1 GFAF CC(C)Cn1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2c[nH]nc2C1 1857566111 JJVTZSODYNLDEE-UHFFFAOYSA-N 382.424 2.573 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(Cl)c12 3591488 OYYUWYHGPWDHCN-UHFFFAOYSA-N 395.846 2.989 0 1 GFAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCO 4310674 KJBZPCCWWUNKBW-RTBURBONSA-N 378.469 2.826 0 1 GFAF Cc1noc2ncnc(N3CCC(C(=O)NCCCc4ccccc4)CC3)c12 20944662 ZYVHNEJEPZUIGM-UHFFFAOYSA-N 379.464 2.892 0 1 GFAF COc1ccccc1[C@H]1[C@H](C(=O)c2ccco2)C(=O)C(=O)N1c1cc(C)on1 100270129 FNCAUGWBTCCWKB-SJORKVTESA-N 380.356 2.741 0 1 GFAF Cc1c(Cc2ccc(=O)n(CC(F)(F)F)n2)c2cc(F)ccc2n1CC(=O)O 117015556 SOEPJZSEXXFQMU-UHFFFAOYSA-N 397.328 2.883 0 1 GFAF CNC(=Cc1ccc(OC)cc1)C(=Cc1ccc(OS(=O)(=O)O)cc1)NC 2356828490 IHGZMWHHHKXQLQ-UHFFFAOYSA-N 390.461 2.698 0 1 GFAF C[C@@H](C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C)c2)ncc1Cl 211113590 JAHMDTQVHMQVJF-GFCCVEGCSA-N 384.871 2.981 0 1 GFAF S=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 1911574148 MQGITIPSCMYMEN-UHFFFAOYSA-N 385.581 2.732 0 1 GFAF Cc1ccccc1S(=O)(=O)c1c(C(=O)NCCO)[nH]c2ccc(Cl)cc12 35001623 MXRIZPKJLCKARO-UHFFFAOYSA-N 392.864 2.685 0 1 GFAF CC[C@@H]1CN(CC(=O)N2CC[C@H](N(CC)CC)C2)Cc2cc(OC)ccc2O1 39531417 UGQKIVACQMVZID-RBUKOAKNSA-N 389.540 2.611 0 1 GFAF COc1cc2c3c(c1OC)-c1cc(NS(C)(=O)=O)ccc1C[C@@H]3N(C)CC2 1911578383 VVJISIDSYVEBMB-INIZCTEOSA-N 388.489 2.827 0 1 GFAF c1cc(CNC2Cc3ccccc3C2)cc(-c2cnc(N3CCNCC3)nc2)c1 45325162 MGWBNGXDRDMXHN-UHFFFAOYSA-N 385.515 2.810 0 1 GFAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@H](OC)C4)ncn3)c2c1 221105138 SEVFLLWUPTVAHW-ZFWWWQNUSA-N 383.452 2.659 0 1 GFAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2S(C)(=O)=O)c1 221737834 RDNCHDPEKVYYBA-CYBMUJFWSA-N 399.472 2.980 0 1 GFAF CN1CC[C@]23Cc4nc5cc(O)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95558692 YLPGZTHHQFAOAG-WXFUMESZSA-N 388.467 2.674 0 1 GFAF NC(=O)/C=C\c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Br)cc1 377850878 BUZXCHPAHWCWNV-YWEYNIOJSA-N 385.217 2.677 0 1 GFAF CC1=C(C(=O)n2ncc3ccc(Cl)cc3c2=O)N2C=C(Cl)C=C[C@H]2N1 587651608 NDHJWVMMEHCXPL-AWEZNQCLSA-N 375.215 2.803 0 1 GFAF CCN1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(=O)OC)C1 587763546 ZUYQWFBGOCCLHB-BVRBVLIYSA-N 399.304 2.833 0 1 GFAF COC(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1OC 587051980 HXNRCMAJYDITTA-GFCCVEGCSA-N 375.812 2.960 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441647 GOMQVQCYYCLSQE-ZHRRBRCNSA-N 380.396 2.779 0 1 GFAF COC(=O)c1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1OC 963232578 OPSFCCXYKWZNDJ-OALUTQOASA-N 392.411 2.718 0 1 GFAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](C(=O)O)(c2ccco2)N1 962925996 KWSOXFZTGBCRJO-LAUBAEHRSA-N 395.367 2.705 0 1 GFAF C[C@@H]1O[C@H](CC(=O)O)Cc2c1c(O)c1c3c(c4n(c23)[C@@H]([C@H](C)O)CC4)C=CC1=O 13911945 AWMWNWIBOOYESP-AYGWYOGXSA-N 397.427 2.902 0 1 GFAF biogenic,in-vitro CS[C@H]1NC(=O)[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)NC1=O 14443981 OUPACRHVFRGERT-AEFFLSMTSA-N 380.535 2.569 0 1 GFAF biogenic,in-vitro COc1ccc([C@H](C)NC(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 169299485 QXDNINQOTQLSMY-DJYWDEKISA-N 380.444 2.901 0 1 GFAF Cc1ccc(-c2c(CN)n(CC(C)C)c(=O)c3ccc(OCC(N)=O)cc23)cc1 164957668 CCXPCKHNJUHZCP-UHFFFAOYSA-N 393.487 2.956 0 1 GFAF Cc1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 209535899 BPLPHDCYSOFWAG-FQEVSTJZSA-N 391.427 2.727 0 1 GFAF Cn1cc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NS(C)(=O)=O)nc21 1857598326 DSAJVVBPDYVJRG-UHFFFAOYSA-N 397.378 2.949 0 1 GFAF O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccc2F)CC1 2461781 IYIJMWAVOIEUBB-UHFFFAOYSA-N 381.407 2.897 0 1 GFAF NC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 2492371 UWQHSADDLWGYEG-GOSISDBHSA-N 385.508 2.914 0 1 GFAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@H]1O 2356308893 HZSDEDOYFCTAET-OJAIXDEFSA-N 390.568 2.963 0 1 GFAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4053670 KIUONUXAPBRWKD-RYRKJORJSA-N 383.473 2.625 0 1 GFAF CNC(=O)[C@H](N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29127726 KSYNOJACPRVMJG-GOSISDBHSA-N 380.473 2.995 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1 28527095 DOVTZHSQYCZIIX-UHFFFAOYSA-N 386.471 2.562 0 1 GFAF O=C(Nc1cccc(Cl)c1Cl)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 61925923 HVIJILMNABLWQY-QJPTWQEYSA-N 389.260 2.885 0 3 GFAF COC(=O)c1cc([C@@H](O)CN[C@H](C)CCc2ccc3c(c2)OCO3)ccc1O 26993881 YJEDQPSGANOHKM-ACJLOTCBSA-N 387.432 2.552 0 1 GFAF COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646691 XMLWGUKRPGLJGA-HUUCEWRRSA-N 388.416 2.698 0 1 GFAF biogenic Nc1nc(-c2ccccn2)nc(-n2nc(-c3cccc(C(F)(F)F)c3)cc2N)n1 45230698 QOWAXNYRWMTCEG-UHFFFAOYSA-N 398.352 2.970 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(CO)CCC1 222469757 AEWPQHXJYCZCLN-UHFFFAOYSA-N 377.448 2.546 0 1 GFAF O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)N1CCNCC1 96170279 MBBJBYDUAHPPGS-UHFFFAOYSA-N 396.878 2.759 0 1 GFAF O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCn2c(nnc2-c2cnccn2)C1 95566075 HACFNXCAULXZQT-UHFFFAOYSA-N 392.316 2.549 0 1 GFAF COc1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2n1 587185385 JFFWHGUJMPQDET-LLVKDONJSA-N 394.216 2.814 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C2)N1 587791608 GPOVAWLADAJRKW-BLBCOPEYSA-N 397.288 2.790 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)o1 586930412 CXWVMPXJLZHGII-UHFFFAOYSA-N 388.218 2.975 0 1 GFAF Nc1ccnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 587118468 NLSLVEZCMUCRIN-UHFFFAOYSA-N 375.152 2.761 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)N1CCOCC1 587863955 URSPHWLSKDOVQX-GFCCVEGCSA-N 383.370 2.938 0 1 GFAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccnc(O)c2[nH]1 586983651 ADVARKJANWKTKG-ZDUSSCGKSA-N 375.226 2.846 0 1 GFAF CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3cccc(Br)c3)nc12 224262786 SZCMZFICKLEFQO-UHFFFAOYSA-N 390.237 2.797 0 1 GFAF Oc1nc2ncccc2n1-c1nc(N2CCC[C@H]([C@H](O)C3CC3)C2)ccc1F 1772604256 NPNHGCUWUHBIIE-SUMWQHHRSA-N 383.427 2.648 0 1 GFAF CCOc1cc(OC)cc(OC)c1/C=C/S(=O)(=O)Nc1ccc(OC)nc1 1772574787 WGLNRBPTFZTUIO-CMDGGOBGSA-N 394.449 2.919 0 1 GFAF Cc1cnc(-n2ncc(C(=O)N(C)[C@H]3CCOC3)c2C)nc1-c1ccc(F)cc1 12030749 OGROJUCTYWXQHL-KRWDZBQOSA-N 395.438 2.946 0 1 GFAF CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)C(C)C)c(C)c23)c1 14974254 ZNWHEYZTCXCRIA-UHFFFAOYSA-N 396.451 2.975 0 1 GFAF Cn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2sccc21 19289986 LOZOQGDEHUCJDO-UHFFFAOYSA-N 383.473 2.927 0 3 GFAF COCCNC(=O)c1cn(Cc2ccccc2)c2ccc(C(C)=O)cc2c1=O 1857620894 ZNYRLMQORGHQSJ-UHFFFAOYSA-N 378.428 2.629 0 1 GFAF COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCc1ccccc1 1857652490 WWSUUCMGJORTRW-UHFFFAOYSA-N 393.491 2.693 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cc(Cl)ccc12 3591475 BESZANVZRKJWLW-UHFFFAOYSA-N 395.846 2.989 0 1 GFAF Cn1c(N(CCCCN)CCc2ccccc2)nc(-c2ccncc2)cc1=O 103245699 ZSTRDIPXJSHMJU-UHFFFAOYSA-N 377.492 2.630 0 1 GFAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COC(=O)c2nnc(O)c3ccccc23)C1 101663337 OMYRUYFLQDCXGE-ASSNKEHSSA-N 383.448 2.919 0 1 GFAF CC(=O)Nc1cc2c(c(NC(C)=O)n1)N=C(c1ccccc1)[C@@H](C)N2C(C)=O 26397537 YHYHQWNRXSSJJL-LLVKDONJSA-N 379.420 2.874 0 1 GFAF Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1 66075361 ASUSKPLGQKUYGX-UHFFFAOYSA-N 375.432 2.775 0 1 GFAF CS(=O)(=O)Nc1cc2c(cc1[S@@](=O)c1ccc(F)cc1F)C(=O)CC2 27550805 HXUYSFGFPXQBBF-XMMPIXPASA-N 385.413 2.632 0 1 GFAF CC(C)Cc1n[nH]c2c1CN(C(=O)CCc1nc(-c3cccnc3)no1)CC2 23479031 FOVWUVCFSVTAMJ-UHFFFAOYSA-N 380.452 2.571 0 1 GFAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@@H](c2ncccn2)C1 116977952 MUIRDYRQXQZONR-ZIAGYGMSSA-N 379.468 2.575 0 1 GFAF COc1ccc(Nc2cc(-c3cccc(O)c3)nc(N3CCOCC3)n2)cn1 64560082 YMQHMPUWBKBXEA-UHFFFAOYSA-N 379.420 2.833 0 1 GFAF CN(C)Cc1cc(C[C@H]2CNCC[C@H]2CC(=O)N(C)Cc2ccccc2)no1 12481700 DGSBRCNHNAGWOS-OALUTQOASA-N 384.524 2.553 0 1 GFAF biogenic CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1F 72178194 QWZLGRMHFRQBJV-UHFFFAOYSA-N 396.470 2.649 0 1 GFAF C[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 32138344 YIAOPCDGOMEIQS-JDQYVNJOSA-N 382.041 2.745 0 1 GFAF C/C=C1\CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12 85567376 YRBCHUQDMNLZSV-UZGBDYHNSA-N 396.487 2.586 0 1 GFAF NCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 82081366 LIXOZZAVMAQWPS-ZDUSSCGKSA-N 393.896 2.818 0 1 GFAF CC(C)(CO)Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21 49032448 BKMHYGNNLXNEBR-UHFFFAOYSA-N 387.871 2.814 0 1 GFAF CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/C(=O)O)O[C@@H]1C 299834015 SPJBXWLUCQGFSA-OGGYWXJKSA-N 393.480 2.770 0 1 GFAF COc1ccc(-c2nnc(-c3ccc4nc(CC(=O)N(C)C)[nH]c4c3)o2)cc1 587197522 PZCMCRLBNMWACZ-UHFFFAOYSA-N 377.404 2.919 0 1 GFAF O=C(c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1)N1CCN(CCO)CC1 587068536 CIVOHTMXJLBOAS-UHFFFAOYSA-N 384.867 2.633 0 1 GFAF CCOc1ccccc1[C@@](N)(c1nc2cc(C(=O)OC)ncc2[nH]1)C(F)(F)F 587093297 RTTDIOCDPVUYKY-QGZVFWFLSA-N 394.353 2.908 0 1 GFAF CC1=C[C@@]2(N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)C(C(=O)O)=C(C)O1 962641885 QKMVPZLSLZTUPY-GUYCJALGSA-N 399.321 2.672 0 1 GFAF CN1CCc2cnn(C)c2[C@H]1c1ccc(OCCNC(=O)OC(C)(C)C)cc1 963954172 HBKMLPQGNRPJMR-GOSISDBHSA-N 386.496 2.901 0 1 GFAF COc1cc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc(OC)c1OC 5853359 PEHGSOABNCOXTN-UHFFFAOYSA-N 379.420 2.823 0 1 GFAF CCn1cc(CNCc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)cn1 12307011 ATDXWONOEXAZLL-UHFFFAOYSA-N 380.496 2.775 0 3 GFAF COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5cccc(OC)c5c4CCN3C[C@H]2CC[C@H]1O 14827790 WMMZYEBFJWWUJX-MRNIIBAQSA-N 384.476 2.656 0 1 GFAF Cc1c(-c2ccc(OS(=O)(=O)O)cc2)[nH]c2ccc(OS(=O)(=O)O)cc12 169348618 UTLGDPRTQNTDRR-UHFFFAOYSA-N 399.402 2.507 0 1 GFAF COc1cccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(N)=O)c1 1329447 SULNONFVAUWOSC-UHFFFAOYSA-N 387.440 2.605 0 3 GFAF CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4258133 JTGLGPBZTRBHOC-BHYGNILZSA-N 392.496 2.826 0 3 GFAF CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1 26834696 ODBDDZDDXAXMDJ-UHFFFAOYSA-N 396.470 2.910 0 1 GFAF Cc1ccccc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O 115731907 XDNVXZPECRQRQK-UHFFFAOYSA-N 379.420 2.813 0 1 GFAF O=C1N[C@H](Cc2ccccc2)c2nc3ccc(F)cc3c(=O)n2-c2ncccc21 61921451 SZRXDFRAHGIVNY-GOSISDBHSA-N 386.386 2.947 0 3 GFAF CCCN(C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12)C(C)(C)C 28892040 QEICWEJXHSYJEP-KRWDZBQOSA-N 378.538 2.990 0 1 GFAF CO[C@@H]1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)C1 225557695 MJYOCNGXQSZSLO-OAHLLOKOSA-N 375.436 2.646 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(Cc2ccccc2F)C1 95795997 RURWSMJUMWGDDA-LJQANCHMSA-N 381.451 2.706 0 1 GFAF CCCN1C(=O)[C@@](O)(C[C@@]2(C)NCCc3c(C(=O)O)cccc32)c2ccccc21 963129003 DHVMYDBDCZNZHW-DHIUTWEWSA-N 394.471 2.780 0 1 GFAF O[C@H](CN[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)c1ccccc1 1772582159 RJVYQTHPYZENAN-JFIYKMOQSA-N 376.464 2.955 0 1 GFAF CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 5070098 JGRIESZLOZOBRQ-HKUYNNGSSA-N 388.508 2.654 0 1 GFAF COc1ccccc1-c1n[nH]c(=Nc2ccc(CC(N)=O)cc2F)c2c1CCC2 1857539655 DQLIRHUOCAASHH-UHFFFAOYSA-N 392.434 2.973 0 1 GFAF Cc1ccc(N2CCC(c3[nH]nc4c3[C@@](O)(C(F)(F)F)CC(=O)N4)CC2)nc1 1857557624 KZFSUVIBMZAYBQ-QGZVFWFLSA-N 395.385 2.589 0 1 GFAF COc1ccc(-n2c(=O)c(-c3ccc(F)cc3)nc3cnc(OC)nc32)cc1 4238381 OCWKNQRZEXRIDS-UHFFFAOYSA-N 378.363 2.999 0 1 GFAF COc1c(O)cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2cc(O)c(OC)c(O)c2)cc1O 2356664355 RYHHTEJSKIQZAS-CMKMFDCUSA-N 390.388 2.601 0 1 GFAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CC[C@](C)(NC)[C@@H](O)[C@@H]32)O1 2356865659 VLBCDXKEKYYAFI-CFOCHCGMSA-N 395.632 2.675 0 1 GFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccco2)O3)cc1 61905342 XCTZQCZCELBESS-IBGZPJMESA-N 377.400 2.920 0 3 GFAF COc1cc(C[C@@H]2[C@H](OC)OC[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 15161232 WZOCBGLXULOIIY-LATRNWQMSA-N 390.432 2.626 0 1 GFAF biogenic CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)c1nc2ccccc2o1 82064848 VSJAAFREORUKSC-WMZOPIPTSA-N 393.443 2.653 0 1 GFAF COc1ccc(-c2oc3c(c2C(=O)OCCCO)[C@@H](OCCO)CCC3)cc1 96020761 PPKUKXCOKSGSLB-INIZCTEOSA-N 390.432 2.881 0 3 GFAF CC(C)Nc1c(C(N)=O)nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12 95590607 HXZURUMJDIMZJI-UHFFFAOYSA-N 384.461 2.620 0 1 GFAF COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)c(F)c1 96910135 MKDCJQHBHVASHQ-UHFFFAOYSA-N 393.426 2.858 0 1 GFAF Cc1cc(Br)ccc1OCc1nc2cccc(S(N)(=O)=O)c2[nH]1 586981438 PCFISRDGDQENMS-UHFFFAOYSA-N 396.266 2.860 0 1 GFAF COC(=O)[C@@H]1N2CCC(CC2)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587788997 BCJJNHQNDUSNNB-KAWXRDEMSA-N 397.288 2.585 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587835488 PDURMGREASPCDO-PGQWDYDZSA-N 386.261 2.917 0 1 GFAF CC(C)CN1C(=O)[C@@]2(NC[C@@H]3CC(=O)N(C)c4cccc2c43)c2ccccc21 963021513 HPUQVXDQTMKOQK-NPMXOYFQSA-N 375.472 2.986 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3C[C@H]4C[C@H]3CO4)c2cn1)c1ccccc1 1772593486 NLWBVNSXHLYAOZ-VHDGCEQUSA-N 378.436 2.818 0 1 GFAF CNc1nc(Nc2cc(OC)c(C(=O)NC3COC3)cc2Cl)ncc1Cl 169705096 KEGYLSJIMRFLBU-UHFFFAOYSA-N 398.250 2.706 0 1 GFAF Cc1cc2c(=O)n(CC(=O)NCC(=O)Nc3ccc(C(C)C)cc3)cnc2s1 2940787 VOIDFWSMDQKAKA-UHFFFAOYSA-N 398.488 2.645 0 3 GFAF CCCCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 103173651 IUKBNZFGSTXDJO-UHFFFAOYSA-N 385.533 2.875 0 1 GFAF O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2C(=O)OCCF)on1 61907335 OLDOOJGGAFOQOH-OAHLLOKOSA-N 376.388 2.633 0 3 GFAF O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2ccccn2)CC1 27655451 XJCLLYNUVSXDGL-UHFFFAOYSA-N 388.537 2.992 0 1 GFAF CC[C@@H]1C[C@H]2N3CC[C@@]4(O)C(=Nc5ccc(OC)cc54)[C@@]2(C(=O)OC)C[C@H]1C3 2356518802 CKWXDLJHOHJWOX-JYKGCVQOSA-N 384.476 2.652 0 1 GFAF CC(=O)O[C@]1(C)[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@@]1(C=COC1)O2 2356614588 ADJTVQDIBOKSAE-VJCLECQESA-N 392.492 2.916 0 1 GFAF O=C1C[C@H]2CCN(S(=O)(=O)c3ccccc3)C[C@H]2CCN1Cc1cccnc1 2356874101 YSOUPIAWQSNUPZ-RTBURBONSA-N 399.516 2.531 0 1 GFAF CO[C@@H](CN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O)c1ccccc1 72126108 BNKYRLATACYXMN-PMACEKPBSA-N 394.427 2.821 0 1 GFAF Cc1ccc(N2CC[C@H](CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C 216500450 ZGZZLMPQKBZVQE-HNNXBMFYSA-N 383.448 2.776 0 1 GFAF COc1ccc(C(=O)NCC2CCN(C(=O)C(=O)c3cccs3)CC2)cc1 199720650 QRCFXYVBTPFWFY-UHFFFAOYSA-N 386.473 2.608 0 3 GFAF C[C@H]1Cn2cc(-c3cc4c(cc3F)C(=O)[C@@H](C(=O)O)CN4C3CC3)cc2CN1 45245906 UHDLDCOWNFSKEG-GTNSWQLSSA-N 383.423 2.652 0 1 GFAF CN1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 84704310 WJZXLGBXZRBBHC-CRAIPNDOSA-N 392.459 2.899 0 1 GFAF CCOC(=O)c1ccccc1O[C@H]1CC[C@H]2CN[C@H](C(=O)OCC)C[C@H]2C1 96939194 QPBPFPOXAOGALQ-DFGXFYAUSA-N 375.465 2.952 0 1 GFAF COc1c2ccoc2c(O[C@H](CC(C)(C)O)OC(C)=O)c2oc(=O)ccc12 238737055 CXCHZEHQDGPYIT-CQSZACIVSA-N 376.361 2.977 0 1 GFAF OCC1CCN(c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)CC1 96168900 SSNLTNRWLYWOGR-UHFFFAOYSA-N 391.475 2.501 0 1 GFAF CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@@H](c1ccccc1)[C@@H](OC(C)=O)C2=O 95554280 RVCPJJPKXPNUJX-SFTDATJTSA-N 398.367 2.785 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)([C@H](C)/C=C/C(=O)O)N1 587832688 ZXWMPRANBMOBFW-IMEMCPARSA-N 386.217 2.679 0 1 GFAF COC(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 587147906 CUFJILVVPLLGQF-NSHDSACASA-N 386.358 2.539 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(C(=O)O)cn2)N1 587767458 AUTFPQUYKDYRPO-ZKANADHPSA-N 380.217 2.874 0 1 GFAF CCOC(=O)[C@H](C(F)(F)F)[C@@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963231806 ZEYHHXZFVRXEKV-VKJFTORMSA-N 396.365 2.791 0 1 GFAF O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1c[nH]nc1-c1ccccc1 11789944 NIEWNBVUPHBHKU-QFIPXVFZSA-N 392.459 2.958 0 1 GFAF COc1c(C)cnc(C[S@@](=O)c2nc3ccccc3n2COC(C)=O)c1C 13820750 SKKQQEZFYKPUOQ-MHZLTWQESA-N 387.461 2.885 0 1 GFAF COC(=O)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)[C@@H]2N=O 169722171 UEZLNCMGFPWFJJ-MRXNPFEDSA-N 386.335 2.833 0 1 GFAF CCn1cc(-c2cc3c(-c4cccc(N5CCN(C)CC5)n4)n[nH]c3cn2)cn1 205261809 WKPYUMZOLALQOY-UHFFFAOYSA-N 388.479 2.655 0 1 GFAF Fc1ccc(-c2cc(Cn3cc(Cn4ccc5cncnc54)nn3)on2)cc1 1857540467 PRMIXBAJWVYEKA-UHFFFAOYSA-N 375.367 2.914 0 1 GFAF C#CCN(Cc1cccc(C)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 142500483 DRCMDBQHWSKKLQ-QFIPXVFZSA-N 396.441 2.888 0 1 GFAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCOCCO)cc1 2480863 RVGKCFUIZWLQLS-UHFFFAOYSA-N 382.416 2.756 0 1 GFAF Cc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 6727263 QCACEHGEERYHKI-UXHICEINSA-N 396.487 2.952 0 3 GFAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@H](NC2CCCCC2)C[C@H]1O 2356288913 MSLIBGXSMBCYQH-FNAHDJPLSA-N 381.520 2.966 0 1 GFAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NCCO)[C@H]3CC[C@H]12 26390625 RYYSYRHPOPBMEU-UQYYQHRBSA-N 376.541 2.575 0 1 GFAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 2356529280 ZYSAQDSHHWKJOQ-UKAVVXHISA-N 387.499 2.819 0 1 GFAF CC[C@H](C)C(=O)C(=O)N(C)[C@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C 2356826896 HLFLCRYVHOAXOU-KXBFYZLASA-N 385.508 2.925 0 1 GFAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]2[C@@H]1C 2356843131 NCEMRNJIGFOWAD-ZXVVIYOUSA-N 393.572 2.756 0 1 GFAF COC1=C[C@@]2(Oc3ccc(-c4ccccc4C=O)cc3C2=O)C(OC)=C[C@H]1O 73195622 DWTJNZYUOJMNHW-VGOFRKELSA-N 378.380 2.915 0 1 GFAF CCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195391223 GILYTJDQDXXBEX-ZNUUXCMQSA-N 381.472 2.616 0 1 GFAF COC(=O)C1=C(OC)C(=O)O[C@H]1c1c(Cl)c2cc(Cl)ccc2oc1=O 1911580389 HAUKRPPCFIAKIS-LBPRGKRZSA-N 385.155 2.771 0 1 GFAF NC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82074345 GXFBHXOVHRTIEU-INIZCTEOSA-N 381.457 2.611 0 1 GFAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCO[C@H](C)C4)ncn3)c2c1 221131214 YSASNVPRGNMXOL-KGLIPLIRSA-N 383.452 2.659 0 1 GFAF C[C@@H]1CN(c2cc(-c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)ncn2)CCO1 225572479 GUTVQGWZJWMWCA-GFCCVEGCSA-N 393.426 2.785 0 1 GFAF COc1ccc(C2=NN(C(=O)[C@@H](C)O[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1OC 43025799 AFUCNBDQRGAISC-BXUZGUMPSA-N 389.364 2.571 0 1 GFAF O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2cccc(Cl)c2)O1)C1CCOCC1 95797377 ADMZPPQSXSBQCZ-IPMKNSEASA-N 378.900 2.615 0 1 GFAF CC(C)n1nc(-c2cnc3c(c2)CC(=O)N3)cc1C1CCN(C2COC2)CC1 148069960 LEMBEHJTOUJYIQ-UHFFFAOYSA-N 381.480 2.599 0 1 GFAF CCN1C(=O)[C@@]2(N=C1N)c1cc(OCC3CC3)ccc1CC21CCC(OC)CC1 140837244 DYEOAGVFIYRTCB-KGBGCIRMSA-N 397.519 2.979 0 1 GFAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1cccc2ccccc12)C(=O)O 95562182 GTKDWJXRABFIEX-SFHVURJKSA-N 384.432 2.992 0 1 GFAF c1cncc(-n2c(CO[C@@H]3CCCCO3)nnc2SC[C@@H]2CCOC2)c1 618017670 UVKVIZAJYSJYKQ-RHSMWYFYSA-N 376.482 2.834 0 1 GFAF COc1cc(/C=C/C(=O)OCCn2nc3ccccc3n2)cc(OC)c1OC 653751558 UYFPPXLWVJQTHR-CMDGGOBGSA-N 383.404 2.714 0 1 GFAF COc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1F 586932153 VDLPJXJCIHYSBO-UHFFFAOYSA-N 379.413 2.540 0 1 GFAF CCC[C@]1(CC(=O)N[C@H]2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587511391 PPGBHNIGLWYOEH-HTAPYJJXSA-N 385.460 2.891 0 1 GFAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 587203501 QXLNESFSGHGAEB-OAHLLOKOSA-N 397.387 2.776 0 1 GFAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cncnc2[nH]1)c1ccc(F)cc1 587170790 KBNCRBMDVROBAV-INIZCTEOSA-N 383.408 2.560 0 1 GFAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c[nH]c(=N)[nH]c-3n1)N2 587030447 FHGLPEKJNAAQFK-VUMIPSPVSA-N 387.494 2.844 0 1 GFAF CCOC(=O)[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346442 MMCSEUKPEIMPTH-KPLVRAHFSA-N 399.418 2.802 0 1 GFAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587113625 QPKONRLWQUMUGA-HNNXBMFYSA-N 398.776 2.789 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587762588 TXXYFJFMTKIPMS-MIUNTBIASA-N 399.304 2.833 0 1 GFAF COC(=O)Cc1cc(OC)n(-c2cc(C)n(Cc3ccccc3F)n2)c1OC 587944711 HDECYSABOHMYDG-UHFFFAOYSA-N 387.411 2.902 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)ncnc2[nH]1 586934959 DVNKPXDSGBPXJV-LLVKDONJSA-N 397.913 2.779 0 1 GFAF O=C(O)CC[C@]1(c2cccc(F)c2F)N[C@H](C(=O)O)Cc2cc(F)ccc21 962922140 OZOKLCSQXFXTIR-KXBFYZLASA-N 379.334 2.811 0 1 GFAF COc1cc2c(cc1OC)[C@H](c1cn[nH]c1)N(C(=O)c1ccccc1N)CC2 963135930 GHNIGJKKQMQYQL-FQEVSTJZSA-N 378.432 2.797 0 1 GFAF O=C([C@H]1CCCO1)N1CCN(C[C@@H](NCc2ccccc2)c2ccccc2)CC1 198327717 MUXRVMAFBSHERF-DHIUTWEWSA-N 393.531 2.841 0 1 GFAF CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)CCC(=O)OC)c3ccccc23)S1 169319790 HIULNWLCHNMPFA-DIFFPNOSSA-N 387.461 2.556 0 1 GFAF COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4041905 BYAGHXIWVHNODW-FPOVZHCZSA-N 381.476 2.997 0 1 GFAF COCCNC(=O)[C@@]1(C)C=C[C@@H](Cc2ccccc2)N1C(=O)c1ccccc1 7992781 ZCCBLKLVZFOBJS-NZQKXSOJSA-N 378.472 2.831 0 3 GFAF Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1 103256497 HBLUENCDTVSVQJ-AZUAARDMSA-N 389.471 2.592 0 1 GFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCc3cccc(F)c3)C[C@@H](O)[C@H]2CO)n1 2356288421 DCRZKRQXMFESSO-VNTMZGSJSA-N 387.499 2.603 0 1 GFAF CC[C@@H]1CN2C[C@]3(C[C@@H]2C[C@H]1C(=COC)C(=O)OC)C(=O)Nc1ccccc13 2356828365 IFWPFGIHYPPJOP-IGMOGCDKSA-N 384.476 2.700 0 1 GFAF CCCNC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2129334 IWUOAJHLBOUPKG-HTAPYJJXSA-N 396.491 2.754 0 1 GFAF biogenic CCNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224732033 FXRGVQGIVCFOLX-UHFFFAOYSA-N 386.452 2.971 0 1 GFAF Fc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 84633015 QMAZVNZXDLDRHV-UHFFFAOYSA-N 394.458 2.534 0 1 GFAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@]23O)ccc1O 257452424 JDOYVXXEQQTICM-AKQDLLBKSA-N 388.416 2.608 0 1 GFAF endogenous,in-man COc1ccc(-c2c(C)nn3c(NCCNC(C)=O)cc(C)nc23)cc1OC 299859602 FZPVOGSJCDLHJM-UHFFFAOYSA-N 383.452 2.578 0 1 GFAF COc1cc2c3c(c1)OC1(C4CN(C(C)C)CC1CN(C(C)C)C4)[C@@H](C2)C3=O 587440476 ACDLEOMXNUHZSK-CQECULCQSA-N 384.520 2.862 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3c(S)nc(S)nc3[nH]2)CCC(=O)CC1 587234783 WEEZWHAMXCJRIV-UHFFFAOYSA-N 395.510 2.793 0 1 GFAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587141848 CXIZVHFVXHQPCI-UHFFFAOYSA-N 388.193 2.918 0 1 GFAF NC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581051 UWBBWHYKLRXRQU-DENIHFKCSA-N 391.379 2.959 0 1 GFAF CC[C@@]1(C2(C(=O)OC)CC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962644410 QXOYUKBFDMLUFM-YADHBBJMSA-N 382.460 2.892 0 1 GFAF CC(=O)OC[C@]1(c2ccc(Cl)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962923125 MJNGLWKXEPOXEJ-OAQYLSRUSA-N 386.879 2.994 0 1 GFAF CCC(=O)OC1=C(C)OC=C[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963225272 CZDSTOPQRBNIKR-UTKZUKDTSA-N 380.400 2.758 0 1 GFAF c1cc(C2=NCCN2)ccc1CC1CCN(c2ccc(C3=NCCN3)cc2)CC1 5933247 MMYREGXJAGMVDE-UHFFFAOYSA-N 387.531 2.845 0 1 GFAF COCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 11956138 XBPDXEQGBFGDFL-UHFFFAOYSA-N 391.859 2.990 0 1 GFAF CCOC(=O)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(Br)ccc1-2 13781510 XUJMJGTVTZESCM-LBPRGKRZSA-N 376.210 2.712 0 1 GFAF O=C(NC[C@@H]1CCCOC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166660058 SGQLQPJPPTVIHP-HNNXBMFYSA-N 380.448 2.786 0 1 GFAF COc1ccc(OC)c(CN2C(=O)CSC[C@]2(C)C(=O)NC2CCCC2)c1 205859216 CBJQHVAONSVTBJ-HXUWFJFHSA-N 392.521 2.597 0 3 GFAF N=c1[nH]c(C(=O)Nc2cc(-c3ccn(C4CCNCC4)n3)ccc2Cl)co1 1857556426 UVWOZATYDVBOQS-UHFFFAOYSA-N 386.843 2.781 0 1 GFAF C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 1857605525 FLMSQRUGSHIKCT-ZCZGVDJXSA-N 390.520 2.575 0 1 GFAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 769419 UWECVXKHSTXTSR-JENIJYKNSA-N 387.505 2.793 0 1 GFAF Cc1c(N2CC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(CC(C)(C)C)c12 6520854 IZHRVRSZLDEHKD-ZDUSSCGKSA-N 375.444 2.571 0 1 GFAF O=S(=O)(NCCCCCc1c[nH]cn1)c1ccc(OC(F)(F)F)cc1 26283598 UFVRLKSJEUTZET-UHFFFAOYSA-N 377.388 3.000 0 1 GFAF CC(=O)N[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 29566894 FYVQEZBWAVPILU-IBGZPJMESA-N 389.450 2.534 0 1 GFAF O=C(NC[C@@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1)C1CCCC1 2356692056 HUHKKTMPWIIJII-MRXNPFEDSA-N 383.448 2.527 0 1 GFAF CCS(=O)(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184430 SIGOLSHECNDVIW-SFHVURJKSA-N 379.913 2.792 0 1 GFAF COc1c([C@@]2(O)COc3cc(O)cc(O)c3C2=O)ccc2c1C=CC(C)(C)O2 14711790 SYJLLCMGTNPNAB-NRFANRHFSA-N 384.384 2.754 0 1 GFAF biogenic CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCN(C)CC1 1911578041 WWZMDNYJRABQMO-UHFFFAOYSA-N 376.497 2.629 0 1 GFAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN)[C@@H]3c1ccc2oc(=O)[nH]c2c1 45336865 BFZDASYLHREFDS-OAQYLSRUSA-N 390.443 2.734 0 1 GFAF CCc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cs1 82069010 UMYDDSOJUXQYRC-INIZCTEOSA-N 383.473 2.956 0 1 GFAF CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@H]2OC(=O)[C@@]4(C)C(=O)CC[C@@]3(C)[C@@H]24)CO1 238766171 MMALGGPAFYVCCV-LEHXXQBASA-N 378.465 2.624 0 1 GFAF COc1cc(/C=C2/Oc3c(c(OC)cc4ccc(=O)oc34)OC2=O)ccc1O 238759477 UCSIQEOSRNPJIA-OVCLIPMQSA-N 382.324 2.855 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C[C@@H]2CCCN2C[C@@]1(O)[C@H]3O 49067601 YZJBCQWDGRNRAY-RIVOMEERSA-N 383.492 2.699 0 1 GFAF biogenic Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 299858749 SZHXGERSHQIEKE-UHFFFAOYSA-N 397.862 2.967 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(CCO)CCO)cc1)CC2=O 587468667 JJEFPRLHSLAHHF-OAQYLSRUSA-N 385.460 2.842 0 1 GFAF COC(=O)c1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587768947 FGGIKPNKWQMJFQ-GLEZIHRCSA-N 380.217 2.788 0 1 GFAF NC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587576052 DWXDBPYVOBVSIQ-SIKLNZKXSA-N 391.379 2.959 0 1 GFAF COC(=O)Nc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cn1 587245438 SAFRRPDYEZIEBZ-UHFFFAOYSA-N 378.392 2.559 0 1 GFAF CCOC(=O)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571450 KVBKAEGPUDPYQA-USLDCDLNSA-N 383.400 2.731 0 1 GFAF O=C(O)CCC(=O)N1NC(c2cccs2)=C[C@@H]1c1ccc2nccnc2c1 958026449 AIMSLMGJBFETPO-MRXNPFEDSA-N 380.429 2.985 0 1 GFAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963550125 KGXJZSYTJOSVRQ-ZSEKCTLFSA-N 385.416 2.567 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(S(C)(=O)=O)cc1Cl)NCC2 962925112 PPMBTZQDMHBJFQ-GOSISDBHSA-N 392.908 2.680 0 1 GFAF COc1ccccc1[C@]1(CNC(C)C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963473128 RFXFXFFSZAMNNZ-JTSKRJEESA-N 384.476 2.550 0 1 GFAF Cc1nn(C)cc1C(=O)C[C@@]1(C(F)(F)F)NCCc2c1c(C(C)C)nn2C 962916066 ISOJCSVXFOQREV-QGZVFWFLSA-N 383.418 2.762 0 1 GFAF Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N(C)C 13492581 MDTMCHLPEWCDEO-SFTDATJTSA-N 396.487 2.520 0 1 GFAF COC(=O)[C@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@@H]3C[C@@H]21 14827789 WMMZYEBFJWWUJX-QGPZCANZSA-N 384.476 2.656 0 1 GFAF C[C@@H]1C(=O)NN=C2COc3cc(-c4ccccc4)c(NC4(C)CN(C)C4)cc3N21 209550453 GGOUEYZWZHNSOB-CQSZACIVSA-N 391.475 2.500 0 1 GFAF CC(C)(O)CNC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1 1857584840 CJYDQTAWSHWBIT-UHFFFAOYSA-N 383.370 2.852 0 1 GFAF CN(C)CC(=O)N1c2ccc(Cl)cc2N(C)S(=O)(=O)c2ccccc21 3803507 XHCVFTGLHHDOJN-UHFFFAOYSA-N 379.869 2.705 0 1 GFAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4045161 UUERVZOSVGQPSA-MMCAFHBRSA-N 399.491 2.961 0 1 GFAF CCOc1cc2[nH]c(=S)n(CCCN3CCOCC3)c(=O)c2cc1OCC 20644581 GQFVBHXJBXLFMB-UHFFFAOYSA-N 393.509 2.579 0 1 GFAF CCOC(=O)CCN1C(=O)c2ccccc2[C@@H](CC(=O)c2ccccc2)C1=O 29348209 PRSIOCSNDOJBTM-GOSISDBHSA-N 379.412 2.979 0 1 GFAF Cn1cc2c(=O)c(OCC(=O)O)ccc-2c2ccc3cc4c(cc3c21)OCO4 26389457 RNBMPTIYJCCKBX-UHFFFAOYSA-N 377.352 2.989 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C(=O)[C@H](C)[C@@]2(O)CCc2ccoc2)C1(C)C 2356635001 RWOAGXCXGZWXLF-UGKJOZFFSA-N 392.492 2.897 0 1 GFAF CS(=O)(=O)N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72100856 ASMCJZUIBCOFEO-QGZVFWFLSA-N 383.876 2.541 0 1 GFAF CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N3CCCOCC3)cc2)C(=O)O1 40860810 VYPFGNIHOQAMRA-KRWDZBQOSA-N 391.468 2.763 0 1 GFAF CCOC(=O)[C@H]1CC(C(=O)c2cc(OC)ccc2N)=NN1Cc1ccccc1 40916564 VTIFCHAIJVJUIJ-LJQANCHMSA-N 381.432 2.654 0 1 GFAF CC(C)[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(C(C)C)c2=O)N1 82206829 WVWGXMWYZAHOFO-OAHLLOKOSA-N 376.501 2.950 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 82139445 URPPGBRRULHLRW-UHFFFAOYSA-N 387.459 2.559 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@H]23)cc1 95871295 BEFCMBFVMVBGFU-MZWZRJJPSA-N 394.446 2.670 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CCC2)cc1 95894925 NTXLBDSQIMZREH-PTNPTSEUSA-N 399.535 2.884 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2S(C)(=O)=O)N1 587851038 ULEUWARUTHOUHP-LYSGOOTNSA-N 376.291 2.915 0 1 GFAF Cc1ccc(NC(=O)CSCCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 586970175 HQLHZKGTVVIROW-UHFFFAOYSA-N 376.873 2.593 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)C[C@H]1C(=O)O)[C@@H](C2)C3=O 587437916 LZTGJFAAZCIAFQ-BSRJHKFKSA-N 393.439 2.788 0 1 GFAF COCOCC[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)NCCc2c(C)ccnc21 963078048 WMBCOHSTNAFCGT-OXJNMPFZSA-N 397.491 2.604 0 1 GFAF Cc1c(O)ccc2c1[C@](C)(c1cccnc1Br)N[C@H](C(=O)O)C2 963548017 DFNHCXXDYJOHPC-SJCJKPOMSA-N 377.238 2.721 0 1 GFAF CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccnc(F)c4)cc23)CC[C@]1(C)N 1772633991 RRBRODSAIBXSRR-IERDGZPVSA-N 396.470 2.952 0 1 GFAF COC(=O)c1cc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)ccc1F 1772648043 BWJHMGCCCMRFBU-UHFFFAOYSA-N 383.379 2.941 0 1 GFAF O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 5035700 SKJRXRLQRXDECP-INIZCTEOSA-N 399.472 2.545 0 3 GFAF CCOC(=O)[C@@H]1/C(=C/N2CCSCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C 169690562 COLMAMLUXGBJKQ-JLIAAPGKSA-N 389.521 2.727 0 1 GFAF CCc1c(C)cc2c(O)c3c(c(O)c2c1O)O[C@](C)(C(=O)OC)C(=O)C3(C)C 169720411 WRXRPPCZMTZCGY-NRFANRHFSA-N 388.416 2.998 0 1 GFAF CC(C)(C)OC(=O)Nc1ccc(NC(=O)CCc2cccc3c2B(O)OC3)cc1 1857558487 JVXGZIKMHAHMBI-UHFFFAOYSA-N 396.252 2.823 0 1 GFAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)O)C3=O)c(F)c1 1541356 XNQTZNPDLAFJJK-LLVKDONJSA-N 383.379 2.582 0 1 GFAF CCOc1ccc2c(c1)[n+]([O-])c(-c1ccc(Br)cc1)c(N)[n+]2[O-] 1616525 JIZYTQPMPBCPRP-UHFFFAOYSA-N 376.210 2.517 0 1 GFAF COCCNC(=O)C1CCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)CC1 6876779 YTRNKVOZQJFYCW-UHFFFAOYSA-N 399.520 2.745 0 1 GFAF O[C@H](CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 64539939 LKDUKYSSAMAXEU-MRXNPFEDSA-N 384.505 2.690 0 1 GFAF CNc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1 113089972 DDJGWDYCOILOJT-LJQANCHMSA-N 395.438 2.601 0 1 GFAF CC(C)[C@H]1CNC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 116186163 ZVKWJZKYAOIRIY-MRXNPFEDSA-N 388.435 2.736 0 1 GFAF CC(=O)OC(C)(C)[C@@H]1Oc2ccc3c(c2[C@@H]1OC(=O)C(C)C)OC(=O)CC3 2356756399 BWKHAONALVOTAJ-ZWKOTPCHSA-N 376.405 2.881 0 1 GFAF CCN(CC1CCN(S(C)(=O)=O)CC1)[C@@H](C)Cc1ccc2c(c1)CCO2 71340699 DUHKKBBESXCBNM-INIZCTEOSA-N 380.554 2.546 0 1 GFAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(nnn2-c2ccn[nH]2)C1 218464126 OSJYTJGHUZGGHR-UHFFFAOYSA-N 396.760 2.861 0 1 GFAF CN(C)CCCOc1c(Br)cc([C@@H](O)CN)cc1Br 14594688 ZGSSHJZNVVQNAE-LBPRGKRZSA-N 396.123 2.534 0 1 GFAF biogenic COc1cncc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 220714695 OKGLRFINLNSCOR-JOCHJYFZSA-N 393.443 2.629 0 1 GFAF CC(=O)Nc1cn2cc(-c3cnc(N)c(O[C@H](C)C(F)(F)F)n3)ccc2n1 43172293 ADLJEZREHNJMCU-MRVPVSSYSA-N 380.330 2.662 0 1 GFAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)C[C@H]1c1ccccc1 40936444 RHQQBOMMVMDSSA-RDJZCZTQSA-N 386.839 2.804 0 1 GFAF Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n(C)n1 96175526 RZGFEQVPQFHNPL-UHFFFAOYSA-N 388.435 2.683 0 1 GFAF NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 143922628 BUEDELQFGJYNOH-BQYQJAHWSA-N 390.845 2.539 0 1 GFAF Cc1n[nH]cc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 261123534 JWXBTRRRXLPQOZ-UHFFFAOYSA-N 389.419 2.922 0 1 GFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)s1 587024295 TVEQWQGLNFAOQU-UHFFFAOYSA-N 393.400 2.611 0 1 GFAF O=CNC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567859 AHVNDHXBIDEXBH-KNQAVFIVSA-N 375.380 2.995 0 1 GFAF O=C(O)CCc1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O 586991765 WISHSOYZWQHFMI-UHFFFAOYSA-N 377.352 2.796 0 1 GFAF CN(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928860 MDNSHLTWSFIJPQ-UHFFFAOYSA-N 391.840 2.619 0 1 GFAF CC(C)(C)OC(=O)N1CC2(CSC[C@@]23NCCc2c(C(=O)O)cccc23)C1 963125019 RQEXNVNDLYIPON-FQEVSTJZSA-N 390.505 2.710 0 1 GFAF CCC[C@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 13116626 JPAYKFOGOBDDJL-FBAVSBLXSA-N 396.443 2.750 0 3 GFAF CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(SC)cc1 13153472 LYAQGMNUNZHKRV-BOSXTWCSSA-N 394.489 2.575 0 1 GFAF CCO[C@H]1[C@@H]2C[C@H]([C@@H](C)O)[C@@H]3N1CCc1c([nH]c4ccccc14)[C@]3(C(=O)OC)C2 13408421 ZCNBXQWUBWONCS-JDHUTOQGSA-N 398.503 2.589 0 1 GFAF O=C(c1cccnc1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492059 JYOFBVPXYBLPBU-UHFFFAOYSA-N 389.390 2.835 0 1 GFAF CCOC(=O)CCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 13560481 AVNGZQIVLFUGFT-UHFFFAOYSA-N 380.485 2.531 0 1 GFAF C[C@]1(c2nnnn2Cc2ccccc2)CSCC(=O)N1Cc1cccs1 203465325 YZTNDLNYPVYBFM-GOSISDBHSA-N 385.518 2.774 0 3 GFAF Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3[C@@H](C)CCC[C@H]3C)n2)cc1 2965292 RKUFECPMGRMQOW-HDICACEKSA-N 382.508 2.598 0 3 GFAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 3591369 GJIOAZQCBADHSB-CQSZACIVSA-N 393.418 2.863 0 1 GFAF Cc1ccc(-c2cn3c(n2)CO[C@H](CNS(=O)(=O)c2ccccc2)C3)cc1 2356346425 RAMQEYQEDNZVNA-QGZVFWFLSA-N 383.473 2.736 0 1 GFAF COc1ccc2c(c1)=C/C(=C1\N=NN(c3ccc(Cl)c(Cl)c3)N1)C(=O)N=2 100558885 RZXMTGKYAKRVNA-VBKFSLOCSA-N 388.214 2.546 0 3 GFAF COC(=O)[C@H](COCc1ccccc1)N1C(=O)[C@@H](C)S[C@H]1c1cccnc1 27756468 IXNXQERYJVBXKQ-LJHODMEESA-N 386.473 2.803 0 1 GFAF O=C(O)c1cc(CN2CCC(c3cccc(F)n3)CC2)c2ccccn2c1=O 66097736 IVENXSSVYVDEJS-UHFFFAOYSA-N 381.407 2.911 0 1 GFAF COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CC(F)(F)F)C2)CC1 61688103 AJNUDTINQHWBPX-HNNXBMFYSA-N 385.430 2.761 0 3 GFAF CC(C)[C@@H]1CCCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28892067 LRAZVNRECMJRGW-ICSRJNTNSA-N 390.549 2.990 0 1 GFAF O=C1C[S@@](=O)[C@@H](c2ccc(F)c(Br)c2)N1CCc1ccccn1 28819510 DTMOOCOMIBGRNN-HJPURHCSSA-N 397.269 2.815 0 1 GFAF COc1cc([C@@H]2C3=C(Cc4cc5c(cc42)OCO5)C(=O)OC3)cc(OC)c1OC 14514558 CBMCBZOJCIZZTR-FQEVSTJZSA-N 396.395 2.983 0 1 GFAF biogenic CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82224376 SJPRJIPFBGLSOS-GOSISDBHSA-N 392.459 2.753 0 1 GFAF COc1cccc(NCC(=O)N2CCCN(Cc3nc4ccccc4[nH]3)CC2)c1 49069084 OLLQOVATLDAZDQ-UHFFFAOYSA-N 393.491 2.718 0 1 GFAF O=C(O)C1=C(NC(=O)C2(Cc3nc(-c4ccc(O)cn4)no3)CCC2)CCCC1 49052121 OXJBHWIYUACCSQ-UHFFFAOYSA-N 398.419 2.579 0 1 GFAF c1ccc2nc(N3CCC(Oc4nccnc4N4CCOCC4)CC3)ccc2c1 96168694 GCVLNHBDAFOMPL-UHFFFAOYSA-N 391.475 2.909 0 1 GFAF COC(=O)c1c(C(=O)OC)c2cc(OC)ccn2c1C(=O)c1ccc(OC)cc1 299822110 MKNXNMRRFSVUAK-UHFFFAOYSA-N 397.383 2.761 0 1 GFAF COc1cc(C2=NCC(=O)Nc3c2ccc(OC)c3OC)cc(OC)c1OC 299867864 QPHGEHRLAOEFTP-UHFFFAOYSA-N 386.404 2.519 0 1 GFAF N=c1[nH]cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc-2[nH]1 587024834 BSTOTNFUKSWBGZ-CFVMTHIKSA-N 382.493 2.853 0 1 GFAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1cccc2cccnc12 169309615 JNZQRBWGCFZPOE-DQTZRQEHSA-N 388.423 2.583 0 1 GFAF Cn1nccc1-c1coc(C(=O)N[C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1 1857610860 ISDJUNKHWDUIRU-PBHICJAKSA-N 386.402 2.834 0 1 GFAF CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCC(F)(F)C3)n2)cn1 204340962 MDZNNHJKFFMBHO-CYBMUJFWSA-N 399.449 2.810 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC=C2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356429054 ILGDWQQRRLHSBQ-FXHSNJNRSA-N 376.449 2.818 0 1 GFAF Fc1ccccc1-c1cnnc(NC[C@@H](c2ccncc2)N2CCOCC2)n1 20501007 GPZTYGUYQMPTAD-IBGZPJMESA-N 380.427 2.558 0 1 GFAF O=C(C[C@H]1CNCCO1)N1CCc2n[nH]c(-c3ccc(Cl)c(Cl)c3)c2C1 20534141 VTERTUJAUOFSFY-LBPRGKRZSA-N 395.290 2.647 0 1 GFAF CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CC2CC2)cc1 61929032 WGIVSXKLDGEWQS-HXUWFJFHSA-N 392.521 2.580 0 3 GFAF C[C@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccoc4)nc3n2)C[C@@H](C)O1 49112962 LHBARYUQAZDSAC-GASCZTMLSA-N 395.463 2.735 0 1 GFAF FC(F)(F)c1nc(NCc2cccnc2)c2nnn(C[C@H]3CCCCO3)c2n1 84709734 PRBLJPUUBHCXHM-GFCCVEGCSA-N 393.373 2.816 0 1 GFAF Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)C(C)(C)C)CC3 82196222 QKCCRJNHHIGHIC-UHFFFAOYSA-N 384.505 2.845 0 1 GFAF COc1cc(=O)oc2ccc(CN3CCN(C(=O)c4ccccc4)CC3)cc12 45496729 YOPHTOAAAJXEJW-UHFFFAOYSA-N 378.428 2.760 0 1 GFAF O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1CCCn1ccnc1 95569834 CBUVLXIDURKBFU-FQEVSTJZSA-N 399.458 2.553 0 3 GFAF CCN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CC1)C(=O)c1ccccn1 95895651 YIACDIBXRYVPNT-FDFHNCONSA-N 379.504 2.783 0 1 GFAF CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3C)cc1)[C@@H](CO)N2C(C)=O 95662196 HFPFWOUAQJBAPK-FGZHOGPDSA-N 378.472 2.570 0 1 GFAF COc1cc(-c2ccc(C(=O)NC3CCN(CC(F)(F)F)CC3)cn2)ccn1 299852224 PBMSYXBNEZHNKL-UHFFFAOYSA-N 394.397 2.909 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)ncnc3[nH]2)C[C@@H]2CCCC[C@@H]21 586957770 DZOFBAMIRVZGNQ-QEJZJMRPSA-N 399.476 2.753 0 1 GFAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587052010 JMTNLNNGFNAUST-MRXNPFEDSA-N 386.883 2.997 0 1 GFAF Cn1ccc([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1=O 963187446 USGOGSYGGSHYOO-IAQYHMDHSA-N 386.757 2.746 0 1 GFAF COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](N(C)C=O)CC2 5648014 YDDHRDUVACCOFZ-INIZCTEOSA-N 399.443 2.824 0 1 GFAF C/C=C1/CN2CC[C@@H]1[C@](COC(C)=O)(C(=O)OC)c1[nH]c3ccccc3c1C2 14827334 FFOLRDAPZBOCPV-MNOLJAKZSA-N 382.460 2.924 0 1 GFAF CN1CCc2ccc(N3C(=O)CS[C@]34C(=O)Nc3ccccc34)cc2CC1 207040603 ZVZZZABVFDLSKE-OAQYLSRUSA-N 379.485 2.602 0 1 GFAF CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC(=O)CC 1654003 UCQSWSSAMLXKRN-UHFFFAOYSA-N 384.841 2.904 0 1 GFAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4049326 ZBHYHCBADIFJEA-ZRCAFCQKSA-N 381.476 2.853 0 1 GFAF COC(=O)C1=CS[C@]2(S1)C(C(=O)OC)=CSc1c2ssc1=O 6018696 DFVGJIKOCFXRMT-LBPRGKRZSA-N 392.526 2.980 0 1 GFAF Cc1ccccc1[C@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)n(C)c(=O)n2C 104100860 BLHGMYXSXMBXQU-INIZCTEOSA-N 385.423 2.941 0 1 GFAF COc1ccc(-c2nn(CCO)c(=O)c(C(C)=O)c2-c2ccc(OC)cc2)cc1 29207440 LBMSIDODVZFREQ-UHFFFAOYSA-N 394.427 2.789 0 1 GFAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1CC1CC1 101077813 WPHFUPCNMVDJHB-UHFFFAOYSA-N 395.440 2.678 0 1 GFAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(NS(C)(=O)=O)nc32)cc1 28877717 ZKCZXMQSWGTDCJ-UHFFFAOYSA-N 399.432 2.515 0 1 GFAF CC[C@H](C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F 113488898 VVVJJYUNXSHGHZ-JTQLQIEISA-N 376.413 2.868 0 1 GFAF C[C@H]1CCCN1S(=O)(=O)C[C@H]1CC[C@H](N(C)c2ncnc3[nH]ccc23)CC1 117611660 RCXRAMFMJRBTPM-HRCADAONSA-N 391.541 2.767 0 1 GFAF CCN(CC)c1cc(N2C[C@H](N)[C@@H](c3cc(F)c(F)cc3F)CC2=O)ncn1 36310926 UMLISSSVRDFDRY-WBMJQRKESA-N 393.413 2.588 0 1 GFAF CCCC[C@@H](CC)CN(C)C(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl 71332781 KXIMOWLUWHMILF-CYBMUJFWSA-N 392.887 2.863 0 1 GFAF COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1OC 73138475 CHMCBJOSDHGBIQ-XOBRGWDASA-N 397.431 2.733 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@H](CO)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 13312008 ZHSWZGYEMVSUSM-COXVUDFISA-N 380.444 2.969 0 1 GFAF biogenic O=C(NCCCN1CCOCC1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 136844696 NFYGWGZXMKPJPX-UHFFFAOYSA-N 382.439 2.821 0 1 GFAF Cc1cc2nn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)nc2cc1C 49808471 YMEKNVKFGJJVSA-IBGZPJMESA-N 384.390 2.506 0 1 GFAF Cc1cc(C)cc(Cc2c(N(C)C)c(=O)[nH]c(=O)n2COCc2ccccc2)c1 84724302 HGABZLMUWONTSR-UHFFFAOYSA-N 393.487 2.985 0 1 GFAF COCCOc1cc2ncnc(Sc3nncs3)c2cc1OCCOC 84669865 ZLZOVDRPXBJYCL-UHFFFAOYSA-N 394.478 2.683 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCN(C)C)C2)co1 82069629 RINHNJMCGIPYEG-MRXNPFEDSA-N 385.464 2.607 0 1 GFAF CC(=O)CCCC(=O)Nc1cc(Cc2nnc(O)c3c2NCCC3)ccc1F 84688574 BJTHDTYHWVSEKV-UHFFFAOYSA-N 386.427 2.968 0 1 GFAF COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C(C)C 95895493 NVFCAYMPVCEKMK-QNWVGRARSA-N 382.504 2.653 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CN(C)C(C)=O 95894970 CXKRCVITKQIBGN-BDTNDASRSA-N 399.535 2.981 0 1 GFAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@@H](C)C(=O)N1CCOCC1)C2 25206610 BKNFFXDDRUCVJO-MJGOQNOKSA-N 388.552 2.844 0 1 GFAF biogenic COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl 95894006 SRLOYXLMZJAYMN-IRFCIJBXSA-N 386.879 2.662 0 1 GFAF CC1(C)OC[C@@](CO)([C@@H]2CC[C@@H]3C(=CC[C@H]4[C@H]3CC[C@@H](O)[C@]4(C)CO)C2)O1 238776088 QQACSPRYRQAXGF-HTKHZWTPSA-N 380.525 2.633 0 1 GFAF CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)C2CCC(F)(F)CC2)CC1 299818895 BCTHVHCUWYGJKE-JOCQHMNTSA-N 384.427 2.861 0 1 GFAF COc1ccc(OC)c([C@H](C)NS(=O)(=O)NC(=O)OCc2ccccc2)c1 473129044 FCENVZQUPSLBLT-ZDUSSCGKSA-N 394.449 2.526 0 1 GFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(O)c(Br)ccc3[nH]2)c1 586938938 LUPIPQXXCQMVJM-UHFFFAOYSA-N 399.270 2.713 0 1 GFAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)s1 587024007 YYOULLCXXJPRBM-UHFFFAOYSA-N 395.466 2.681 0 1 GFAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCC(N)=O 587376695 SXXOPRXCCKHWSR-HNNXBMFYSA-N 390.823 2.810 0 1 GFAF CCCOc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br 586929728 HXBUBRQVAARFLN-UHFFFAOYSA-N 399.270 2.757 0 1 GFAF COC(=O)[C@@H]1O[C@@H]2O[C@H]1C(=S)N(Cc1ccccc1)[C@H]2Cc1ccccc1 1772587971 HGVYFGCVHYTRII-OOSNJVJTSA-N 383.469 2.724 0 1 GFAF CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(CC(F)(F)F)c3ncccc13)C2 1772578733 KRGNCEFMJYXXEC-VXGBXAGGSA-N 383.370 2.617 0 1 GFAF COc1cc2[nH]c3c(c(=O)c2cc1OC)CC[C@H](CNC(=O)c1ccco1)C3 13528652 OOWAZNPOGJVTHK-LBPRGKRZSA-N 382.416 2.673 0 1 GFAF CO[C@H]1CCCN(CCCCn2cnc3c(=O)nc(Nc4ccccc4)[nH]c32)C1 13644943 HDYMZDLRTYUGIJ-KRWDZBQOSA-N 396.495 2.754 0 1 GFAF Cc1ccc(N[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]2c2ccccc2)cc1 225875990 FKLXITNLZHSNFA-WOJBJXKFSA-N 396.516 2.997 0 1 GFAF O=C(N[C@@H]1[C@H](c2ccccc2)C[C@H](O)[C@@H]1O)c1cccnc1Oc1ccccc1 2356287188 DQWJQTGSJUUJEP-BURNTYAHSA-N 390.439 2.882 0 1 GFAF CC(=O)O[C@]1(CO)CC[C@@]23C[C@H]1C[C@@H]2CC[C@H]1[C@]3(C)CC[C@@H](O)[C@@]1(C)CO 2356389218 MJSCOVOZOSAIGP-MWBLKNHISA-N 380.525 2.657 0 1 GFAF O=C1c2c(O)cc(O)c(Cc3cccc(O)c3)c2O[C@H](c2ccc(O)cc2)[C@H]1O 2356659754 QTQFIIUIOXANIY-LEWJYISDSA-N 394.379 2.777 0 1 GFAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4ncccc4C)C[C@@H]3F)[nH]c2c1 2356706728 RJNNNJXEXAITIC-HNAYVOBHSA-N 398.438 2.792 0 1 GFAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)Nc1ccsc1 2356843317 NKOACQKXEIJLPO-INMHGKMJSA-N 380.583 2.629 0 1 GFAF CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@@H](c4ccccn4)C3)c(F)c2)C(=O)O1 26829854 SKADUEYHFDHYKW-IFXJQAMLSA-N 398.394 2.548 0 1 GFAF CNCCN(C)c1cccc2nc(CN(C)[C@H]3CCCc4cccnc43)cn12 45283933 XIURFEOCHGTHBC-IBGZPJMESA-N 378.524 2.894 0 1 GFAF N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 40952455 NRAGBHKEKQXCFW-SJORKVTESA-N 391.924 2.579 0 1 GFAF COc1ccc2c(c1)c(CC(=O)O)c1n2C[C@H](N(C)c2ncc(F)cn2)CC1 144692568 VYFYDEWBARKTBN-CYBMUJFWSA-N 384.411 2.657 0 1 GFAF O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2ccc(O)nc2)nc1 299852228 PBYRSLXINVSNLJ-UHFFFAOYSA-N 380.370 2.606 0 1 GFAF Fc1cc2c(c(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)c1)OCOC2 587171283 KUVDUDOTNYESDF-UHFFFAOYSA-N 383.423 2.992 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1cccc(S(=O)(=O)NC)c1)CC2=O 587482606 DBTRWGQIOFJQSO-SFHVURJKSA-N 375.446 2.959 0 1 GFAF C[C@@]1(CC(=O)Nc2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575748 CXTOBACFUNWFFA-UTKZUKDTSA-N 391.383 2.931 0 1 GFAF Cc1nn(C[C@@]2(C)NCCc3ccc(O)cc32)cc1I 963342751 SQQUZKGATATVIU-OAHLLOKOSA-N 383.233 2.563 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21[C@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]42)[C@@H]1[C@@H]5C31OCCO1 963603874 CKDLACSZVKQZGZ-XMJIDESYSA-N 395.499 2.564 0 1 GFAF CN(CCc1cnn(C)c1)C(=O)c1cc(COc2ccc3ncccc3c2)on1 12435417 QWRWRZHBXPNCJR-UHFFFAOYSA-N 391.431 2.850 0 1 GFAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCCC=C2C(=O)NCc2ccccc2)cc1 13493964 WIIRTJJDUYZVKS-HXUWFJFHSA-N 390.487 2.630 0 1 GFAF CCO[C@@H]1OC(C(=O)N2CCN(C)CC2)=C[C@H](C2CCCCC2)[C@H]1CCCO 13656927 GRYRDSMUABNRRA-WOIUINJBSA-N 394.556 2.622 0 3 GFAF Cc1cccc(NC(=O)N[C@H]2N=C(N3CCCC3)c3ccccc3N(C)C2=O)c1 13734837 PGOJZWSRPJMLLS-LJQANCHMSA-N 391.475 2.962 0 1 GFAF Cc1cc(C(=O)N2CC[C@]3(CCCN(CCCc4ccccc4)C3=O)C2)nn1C 14949164 NWKPXHSQHJLOCS-HSZRJFAPSA-N 394.519 2.816 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC3(CCCCN3)C2)cc1)N1Cc2ccncc2C1 167219444 FAYIAWINIBBESF-UHFFFAOYSA-N 391.475 2.597 0 1 GFAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@H](Oc2cccc3cccnc23)C1 1857774640 UBSWSARTLVUIMB-HNNXBMFYSA-N 398.440 2.806 0 1 GFAF C[C@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 224010671 UKQGIZHKRHTOKI-WFASDCNBSA-N 394.443 2.858 0 1 GFAF COc1nc(Br)cnc1NS(=O)(=O)c1cccc(Cl)c1 116960991 NMSRPAYNDQYIQS-UHFFFAOYSA-N 378.635 2.702 0 1 GFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 770467 BHCQIDIIDHSOBC-ADLFWFRXSA-N 385.464 2.836 0 1 GFAF CC(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 2356529278 ZYSAQDSHHWKJOQ-JYRKZWEQSA-N 387.499 2.819 0 1 GFAF CCNS(=O)(=O)c1cccc(Nc2nccc(-c3sc(N)nc3C)n2)c1 38209395 WZGHCPBEOCOZJD-UHFFFAOYSA-N 390.494 2.533 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(F)cc2)n1 82141107 RJFFVEZINYFWFM-UHFFFAOYSA-N 399.470 2.703 0 1 GFAF COc1ccc(-c2cc3ncccc3c(NC[C@@H]3CC(=O)NO3)n2)cc1OC 141919564 QNZWYYNYEINIOO-ZDUSSCGKSA-N 380.404 2.546 0 1 GFAF CCc1nn2c(=O)cc(-c3ccc4c(cnn4CC)c3)[nH]c2c1-c1nc(C)no1 143245151 ULHODASTCHOGDR-UHFFFAOYSA-N 389.419 2.980 0 1 GFAF COc1ccc2c(c1)O[C@@H]1Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)[C@@]21O 238786492 FIMAXIYZYKLKSA-RTWAWAEBSA-N 384.384 2.797 0 1 GFAF C[C@@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95661553 FKVAGPIVUGMOCL-CXAGYDPISA-N 377.485 2.534 0 1 GFAF Cc1cccc(C)c1-n1nnnc1-c1nc2cc(Br)ccc2[nH]c1=O 95603074 IARGERYUFRTHSO-UHFFFAOYSA-N 397.236 2.945 0 1 GFAF CNC(=O)[C@@H]1Cc2c(cc(F)c(F)c2F)N1C(=O)COc1ccc(Cl)cc1 473136616 SVIJIYNKPMLYBI-AWEZNQCLSA-N 398.768 2.840 0 1 GFAF COc1cc2c(cc1C(=O)NCC(=O)O)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 653795259 NGQBGNLXFXWMSM-XGHQBKJUSA-N 375.465 2.511 0 1 GFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3cn[nH]c3cc2[nH]1 586965289 MMSJEAYAIUWXNG-UHFFFAOYSA-N 393.480 2.896 0 1 GFAF CCOC(=O)[C@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587762051 CTOJZSFQLZYNRK-BMLIUANNSA-N 396.260 2.663 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CN[C@@H](C(=O)O)[C@@H]32)N1 587797385 SHGBAPUXOWTSAG-RDPIMAKFSA-N 397.288 2.790 0 1 GFAF CC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1CN1C(=O)c2ccccc2C1=O 587639219 PLFNFNOUHJVOPG-UHFFFAOYSA-N 376.368 2.794 0 1 GFAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cncc(Cl)n2)N1 962720416 TYVJHJNTTMIAMO-GXFFZTMASA-N 375.709 2.976 0 1 GFAF CCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772578671 CDCXJSLZBXGCPN-MRXNPFEDSA-N 388.851 2.845 0 1 GFAF COc1ccc(C[C@@]2(CCC(=O)NCc3ccccc3)CCC(=O)N2)cc1OC 14989626 HBVYTXDEMOVRSW-HSZRJFAPSA-N 396.487 2.992 0 1 GFAF Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 15652800 IDSSFQDSCXOLBJ-UHFFFAOYSA-N 380.364 2.771 0 1 GFAF COc1cc(O)c2c(c1)/C=C\CC(=O)OCCOC(=O)CCC[C@H](C)OC2=O 169370328 OSKKLULYFAZOGL-AGLBCWCQSA-N 392.404 2.620 0 1 GFAF Cn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O 169729176 TYMVUFPMZWGBRD-UHFFFAOYSA-N 378.476 2.989 0 1 GFAF CCS(=O)(=O)N[C@@H]1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204987255 LVDKZTHQIJVVBW-LJQANCHMSA-N 399.516 2.974 0 1 GFAF Cc1c(Cl)nc(CO)nc1N1CC[C@@H](Oc2ccc3[nH]ncc3c2)[C@@H](F)C1 1857763836 WZQXUGBZMYSQSJ-DZGCQCFKSA-N 391.834 2.803 0 1 GFAF O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc(F)cc1 4790450 CVTDUBFVBZUXST-UHFFFAOYSA-N 389.452 2.767 0 3 GFAF CCO[C@H]1[C@H]2C[C@H]([C@@H](C)O)[C@@H]3N1CCc1c([nH]c4ccccc14)[C@]3(C(=O)OC)C2 101361867 ZCNBXQWUBWONCS-FDUSCCBGSA-N 398.503 2.589 0 1 GFAF N[C@H](Cc1ccc(F)cc1)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1 61926895 ZCRSHAHUGRQYJU-OAHLLOKOSA-N 392.481 2.916 0 3 GFAF Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CCC2CCCC2)c1 61898739 DQERZANMHGCMJG-FQEVSTJZSA-N 392.521 2.761 0 3 GFAF COc1cc2c(c(OC)c1OC)-c1cc3c(cc1Cc1cnnn1C2)OCO3 28872621 IIPFMHKHTQHFCZ-UHFFFAOYSA-N 381.388 2.652 0 1 GFAF CC(=O)O[C@H]1[C@@H]2[C@H]3OCC4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]2(C)[C@@H](C(C)C)[C@H]1O 2356610645 RQLGNNVVLDWWNK-LVXIIMQZSA-N 378.509 2.838 0 1 GFAF COCCCn1cc(C)c2ccc([C@H](C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21 216002758 ITEGETFABNDCSL-LAUBAEHRSA-N 398.551 2.600 0 1 GFAF O=C1NCC=CC[C@H]1NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 73165420 HVOVPPVRLMOBHI-QGZVFWFLSA-N 392.864 2.855 0 1 GFAF C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H](CN[C@@H]2CC[C@H](O)C23CCCC3)[C@@]2(O)CN12 85547739 NUMWSXMRYHYCEL-JVPMFRGJSA-N 398.547 2.669 0 1 GFAF biogenic,in-vitro CCOc1ccc(CCNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)cc1 82204055 HRJLCGWVVLIETC-QGZVFWFLSA-N 383.496 2.540 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC)C(=O)c1ccccc1 95895338 XOJCLLCNPDDULP-VWPQPMDRSA-N 380.488 2.914 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)C1CC1 95895044 JPCTYBULYRPUFB-YPAWHYETSA-N 378.472 2.555 0 1 GFAF C/C=C1/CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC 238745192 RFHZMDBYJUMARX-QADZCCJKSA-N 382.460 2.620 0 1 GFAF O=S(=O)(c1ccccc1)N1CCN(c2noc3c(Cl)cccc23)CC1 299825479 MJRNMIIILRZRET-UHFFFAOYSA-N 377.853 2.992 0 1 GFAF COC(=O)c1cc(Br)c2[nH]c(-c3nc(Cl)cnc3N)nc2c1 587087478 RFLLWSKZBSGCAK-UHFFFAOYSA-N 382.605 2.805 0 1 GFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799800 YSAXNOKQXHYVFI-SMSYYXEJSA-N 397.288 2.821 0 1 GFAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586882337 OEKAIUBUHGJMAB-UHFFFAOYSA-N 399.472 2.742 0 1 GFAF Cc1c2c(nn1C)[C@](c1ccncc1)(c1cccc(Cl)c1)N[C@H](C(=O)O)C2 962704917 DTFVARTUTFABKA-PXNSSMCTSA-N 382.851 2.668 0 1 GFAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCSCCC(=O)O 13836414 RCGYQAZHHZBXTR-LKUXFXEPSA-N 390.567 2.743 0 1 GFAF O=C(/C=C/c1ccc2c(c1)OCCCO2)NS(=O)(=O)c1ccc(F)cc1 1857598753 CEUFEZXIVRMIHV-YCRREMRBSA-N 377.393 2.505 0 1 GFAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 2487443 DVYQIHVMUDNWEO-FUHWJXTLSA-N 376.497 2.824 0 1 GFAF COC(=O)CCCOc1ccc[n+]2c1[C-](CC(N)=O)[C@H](C)[C@H]2Cc1ccccc1 53650926 KZDWTURLQLVJQI-QFBILLFUSA-N 396.487 2.538 0 1 GFAF C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C/N=c2\c(N3CCCC3)c(O)c2=O)cc1 103009141 SEDJGOBAIVRBMG-HUBWQZGRSA-N 395.503 2.638 0 1 GFAF CCN(CC)C(=O)[C@H]1CCC[C@@H](NCc2cccc(OC)c2)CN(C)C(=O)C1 2356532299 VSUQLSPFBKRGHL-RBUKOAKNSA-N 389.540 2.670 0 1 GFAF COc1cc2c(c(OC)c1O)[C@H](c1cc(C)c(O)c(C)c1)[C@@H](CO)[C@@H](CO)C2 2356569619 OELITVVAXWGNQR-SOLBZPMBSA-N 388.460 2.637 0 1 GFAF COCCN1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1 225562856 VXIWUKNJVHLQGS-UHFFFAOYSA-N 396.495 2.576 0 1 GFAF CCCCOc1nc(N)c2nc(O)n(Cc3cccc(CN4CCCC4)c3)c2n1 96934209 JYMHIOKXCNJLDK-UHFFFAOYSA-N 396.495 2.937 0 1 GFAF CCO[C@H]1C[C@@H]2c3cc4c(cc3C(=O)N(CC)[C@H]2[C@@H]2OC(C)(C)O[C@H]12)OCO4 96909467 GELWNJPQZIMCHJ-QKPHTXKDSA-N 389.448 2.672 0 1 GFAF CC(=O)O[C@@H](CO)[C@]1(C)C=C2CC[C@@H]3[C@@](C)(C[C@@H](O)C[C@@]3(C)CO)[C@H]2CC1 95914045 GZEJNAZZGALFJP-CPDXTSBQSA-N 380.525 2.823 0 1 GFAF biogenic,in-vitro O=C(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 95668216 CYPXXYZANQUULC-UNMCSNQZSA-N 390.483 2.668 0 1 GFAF O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@H]4N2Cc1ccc(I)cc1 261134113 LTAWJWNPMAZAIW-OJDFKJTGSA-N 391.252 2.552 0 1 GFAF O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccccc2)CC1 653714967 JXHIYPMYQDGBJX-UHFFFAOYSA-N 382.460 2.899 0 1 GFAF N=c1nc(O)c2nc(COc3ccc4ccccc4c3Br)[nH]c2[nH]1 587002942 ZENZJLZDDBKBME-UHFFFAOYSA-N 386.209 2.966 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2S(C)(=O)=O)N1 587851039 ULEUWARUTHOUHP-MURWCNHISA-N 376.291 2.915 0 1 GFAF N[C@@H](N=O)c1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587203081 NFYNDROESJMMLI-RDJZCZTQSA-N 397.391 2.729 0 1 GFAF NC[C@@]1(c2ccccn2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963165002 BDPXTOFZVUNHRD-XJKSGUPXSA-N 385.773 2.555 0 1 GFAF COC[C@]1(C2CCOCC2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962646650 SVEJREOABQBRGZ-VXKWHMMOSA-N 384.476 2.602 0 1 GFAF Cc1c(O)ccc2c1[C@@](C)([C@H](NC(=O)c1ccccc1)C(C)C)N[C@H](C(=O)O)C2 963510383 QHBHZLWGZCPQDK-WGGBDISSSA-N 396.487 2.969 0 1 GFAF O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCCN1Cc1cccc(F)c1F 12753591 JCOTUAYENHSIKX-GOSISDBHSA-N 398.417 2.934 0 1 GFAF Cc1c(C(=O)C(N)=O)c2c(O[C@@H](C)C(=O)O)cccc2n1Cc1ccccc1 13445811 GWHFRTCCSTUDBC-ZDUSSCGKSA-N 380.400 2.518 0 1 GFAF COc1ccccc1CNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@@H]2N1C 13660616 RLLCPUKXIYNIII-MOXGXCLJSA-N 376.460 2.736 0 3 GFAF CSc1nn(-c2ccccc2)c2cc(NC(=O)CN3CCNCC3)ccc12 165880361 BLFZXERVWIAVIA-UHFFFAOYSA-N 381.505 2.591 0 1 GFAF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(N(C)C(=N)N)cc1 1857574352 NHYHYJFJABWDRT-CQSZACIVSA-N 376.464 2.908 0 1 GFAF COc1ccc([C@@H](N[C@H](C(=O)O)C(C)C)c2nnnn2C2CCCCC2)cc1 1857609137 QCXPYCNLPJJIBN-ZWKOTPCHSA-N 387.484 2.975 0 1 GFAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccon1 148529892 ZWIPDTZSZGRWCK-CQSZACIVSA-N 385.445 2.610 0 1 GFAF O=C(Nc1ccc([C@H]2C[C@H]2C(=O)O)cc1)c1cccc(NC2=NCCCN2)c1 3827924 HISPCWBBRIZTIO-QZTJIDSGSA-N 378.432 2.888 0 1 GFAF C[C@H]1CCCCN1CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 4709565 UWVPSCIDWFULFI-HNNXBMFYSA-N 388.899 2.554 0 1 GFAF C[C@H]1CC(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccccc2S1(=O)=O 6806580 GSGRLYYXYCGUNR-NSHDSACASA-N 394.399 2.502 0 3 GFAF Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(C)CC2)cc1 22458174 ISMOUKGBNGPKBE-VQIMIIECSA-N 393.578 2.712 0 3 GFAF COc1cc(OC)nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1 29127963 USMMKDXKVKAWCC-UHFFFAOYSA-N 379.420 2.940 0 1 GFAF O=C(N[C@@H]1Cc2ccccc2N(CCO)C1=O)c1cc2cc(Cl)sc2[nH]1 28818302 XJUVOPKVNMAOHD-CYBMUJFWSA-N 389.864 2.563 0 1 GFAF FC(F)(F)Oc1ccc(Nc2ccnc(NCCN3CCOCC3)n2)cc1 64540405 DOHAAWAGXKVTIX-UHFFFAOYSA-N 383.374 2.863 0 1 GFAF O[C@@H]1[C@@H](NCc2ccccc2Cl)[C@H]2CO[C@@H](O2)[C@@H]1n1cnc2ccccc21 2356597978 ATLOEUDKUOMHGR-IVDHNXQLSA-N 385.851 2.505 0 1 GFAF Cc1nnc(OC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 28825977 CMEYIJUPUDWXRI-UHFFFAOYSA-N 384.524 2.862 0 1 GFAF COC(=O)c1cc(OC)c(Cl)c(O)c1C(=O)c1cc(C)cc(O)c1C(=O)O 2356719240 RSEIHGFYUUTBRH-UHFFFAOYSA-N 394.763 2.784 0 1 GFAF O=S1(=O)N(CC[C@H]2CNCCO2)c2c(F)cccc2N1c1ccccc1F 72120620 MZTLLFJYLUUPPP-ZDUSSCGKSA-N 395.431 2.546 0 1 GFAF NC(=O)C1(c2ccccc2CCc2nc(Nc3cncnc3)ncc2Cl)CC1 211085689 OZGDLMQYSZELNV-UHFFFAOYSA-N 394.866 2.966 0 1 GFAF CC(=O)Oc1ccc([C@@H]2OC(c3ccc4c(c3)OCCO4)=NN2C(C)=O)cc1 73198935 ODGXRHXBDPVTID-FQEVSTJZSA-N 382.372 2.622 0 1 GFAF CC[C@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F 82152506 UISWZXHDBIIOFJ-KBPBESRZSA-N 399.470 2.513 0 1 GFAF O=C1OCC2=C1[C@@H](c1cncc(Br)c1)c1cc3c(cc1N2)OCO3 40380509 DLYGIXWDODKZML-HNNXBMFYSA-N 387.189 2.941 0 1 GFAF Cc1ccc(-n2nc([C@@H]3CCNC3)cc2NC(=O)c2cnn3cccnc23)cc1 142430263 OPKWCRLHNOCROL-OAHLLOKOSA-N 387.447 2.553 0 1 GFAF O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 95893300 MGXVPKHTBGRHQO-XUVXKRRUSA-N 380.419 2.551 0 1 GFAF CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 95875141 RVOKLENHAKIBKK-XPNTWCBSSA-N 379.504 2.910 0 1 GFAF COc1cc([C@@H]2CC(=O)Oc3cc4c(c(OC)c32)OCO4)cc(OC)c1OC 653835485 ZOVZJIOKQOFMJB-NSHDSACASA-N 388.372 2.891 0 1 GFAF COC(=O)c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Br 587365853 HXAFCHFYAYKFFI-UHFFFAOYSA-N 376.166 2.652 0 1 GFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)cc2[nH]1 586960442 WVWNDZDTVRGLDH-OAHLLOKOSA-N 396.266 2.794 0 1 GFAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)nc(O)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 587024977 DFPWNJZTQUIOHR-AVGNSLFASA-N 399.476 2.901 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cncc(C)c4[nH]3)c2)o1 586923818 WPVCSPVUIVOSIE-UHFFFAOYSA-N 383.433 2.853 0 1 GFAF CC(=O)c1ccc(OCCCCCN2CCN(c3ncccn3)CC2)cc1O 1772576513 DBSHXBSQLAKRKN-UHFFFAOYSA-N 384.480 2.756 0 1 GFAF Cc1c([C@@H](O)CN2CCC3(CC2)CN(c2ccns2)C3)ccc2c1COC2=O 1772594021 BTXAEQIAULLECJ-SFHVURJKSA-N 399.516 2.758 0 1 GFAF COC(=O)c1cc(OCCCCC(=O)Nc2ccccc2)cc(C(=O)OC)n1 169327780 CFUPXINDZFAMNN-UHFFFAOYSA-N 386.404 2.843 0 1 GFAF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 169341756 VLRZETWFCNUIAS-LJQANCHMSA-N 394.479 2.614 0 3 GFAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4c(c5ccc(OC)cc5n4C2=O)CCN[C@H]13 169352317 SSJDPLKKMPNHNF-NONKOEHBSA-N 382.460 2.665 0 1 GFAF O=C(O)[C@@H]1[C@@H](N=c2[nH]c(-c3c[nH]c4ncc(F)cc34)ncc2F)[C@H]2C=C[C@H]1CC2 1857578402 KHVDRFCFLWHDPE-NXPNQGMMSA-N 397.385 2.797 0 1 GFAF O=C(c1ccc(N2CCOCC2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1 1857597634 NOAFCUKFIZMWIM-UHFFFAOYSA-N 394.471 2.964 0 1 GFAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(N(C)C(C)(C)C)nc34)[nH]c21 1857619140 HKCQYVZLEUOAFO-LLVKDONJSA-N 379.464 2.968 0 1 GFAF Cc1ccc(S(=O)(=O)Nc2ccc3c(n2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857634757 VOWQGJCRPWQGFC-CYBMUJFWSA-N 386.477 2.525 0 1 GFAF Cn1c(=O)cc(SCC(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc21 4101683 YXJGQVYYPWQLJM-CQSZACIVSA-N 396.468 2.587 0 3 GFAF COC[C@H](O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](OC)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356396268 GIRBZGMOKYPJOD-KFOZATRESA-N 394.552 2.529 0 1 GFAF CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cc3ccccc3s2)C1 61902502 IJIJNRKUNXOLOH-SFHVURJKSA-N 394.518 2.610 0 3 GFAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)nc3Cl)c2n1 28570392 FPVXCLXLHSYVAX-UHFFFAOYSA-N 382.255 2.664 0 1 GFAF Cc1cc(-c2nc3c([nH]2)C2=N[C@@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1 72111267 ASPRGIZZIKFUIQ-ZDUSSCGKSA-N 375.436 2.710 0 1 GFAF CC(=O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCc3ccccc3C2)no1 15673650 XVMQXTYTKAFCTP-HKUYNNGSSA-N 381.476 2.620 0 1 GFAF biogenic O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 195116487 QDNGVIMUWLFPTA-FIXIBIHLSA-N 376.865 2.861 0 1 GFAF COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4[C@H]3CCOC3)n2)CC1 222710958 CBMMZVNQSZODPO-AWEZNQCLSA-N 395.467 2.542 0 1 GFAF CCCO[C@@H]1[C@H](O)[C@H](Oc2ccccc2)O[C@@H](COCc2ccccc2)[C@H]1O 95565029 UDNMKBWZAWAZBA-LILSUDLASA-N 388.460 2.524 0 1 GFAF CCn1cc(CNC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)cn1 261121882 JPODFLSFVPQQOF-UHFFFAOYSA-N 376.424 2.866 0 1 GFAF COc1c([C@@H]2COc3cc(O)cc(O)c3C2=O)ccc(O)c1CCC(C)(C)O 31167079 VGQZSDKUMONDMG-AWEZNQCLSA-N 388.416 2.874 0 1 GFAF biogenic O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(O)ncnc2[nH]1 587167475 NSCFBVKLRZIPOQ-UHFFFAOYSA-N 391.409 2.727 0 1 GFAF COC1=COC(C(=O)O)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587833867 PPQUXQQNMLERAS-PWJLMRLQSA-N 384.201 2.804 0 1 GFAF COC(=O)[C@]1([C@@H]2CCCC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587811238 VZLMMDHRDGZLHC-CINOJJQCSA-N 384.245 2.860 0 1 GFAF CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587439143 JRCAOTHUMGCJNH-BSNMMYEGSA-N 385.460 2.523 0 1 GFAF O[C@H]1Cc2ccccc2[C@H]1NC1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772574352 AMBOJIFBTQQSPL-MMUCWKBASA-N 388.475 2.880 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H]3CC[S@](=O)C3)c2cn1)c1ccccc1 1772572085 KVALHTUUDPPBEP-UKDVYOIMSA-N 398.492 2.774 0 1 GFAF Cc1ccc(-c2csc3nc4ccc(C(=O)NCCO)cc4c(=O)n23)cc1 13662317 KIQADBSWDHQEPF-UHFFFAOYSA-N 379.441 2.607 0 3 GFAF COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(N)c2)CC1 13803883 DFFISGLDFRQJMG-UHFFFAOYSA-N 394.519 2.769 0 1 GFAF COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)CC1 205785158 ZQGJOSYZPOWNDE-UHFFFAOYSA-N 393.491 2.713 0 1 GFAF COc1cc(CNC(=O)c2c(O)c3cc(F)cc4c3n(c2=O)[C@@H](C)CC4)ccn1 1857568769 YZQKOULGQZJPQH-NSHDSACASA-N 397.406 2.687 0 1 GFAF O[C@@H](COc1cccc2ncccc12)CN1CCN(Cc2ccccc2)CC1 22934441 HXDJWAVEZFAPDV-HXUWFJFHSA-N 377.488 2.792 0 1 GFAF CCCSc1nc(N(C)C)ncc1C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101550240 VQFHRWVKAMEZEK-HHYICYQKSA-N 390.553 2.714 0 1 GFAF CN1C(C(=O)Nc2ccccn2)=C(O)c2c(ccc3ccccc23)S1(=O)=O 28114714 YJMOVDAXCPAEFJ-UHFFFAOYSA-N 381.413 2.734 0 1 GFAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2c(c1)OCCO2 117586287 BKQDTCGCWHSJTC-UHFFFAOYSA-N 383.448 2.969 0 1 GFAF COc1ccc(-c2c(-c3ccccc3)nc3sc(S(N)(=O)=O)nn23)cc1 28975694 BCMJUVLSEBENTO-UHFFFAOYSA-N 386.458 2.781 0 1 GFAF CCOC(=O)CCCNC(=O)c1[nH]cc(Br)c1Br 2356807308 WFRSBICYJRWIPH-UHFFFAOYSA-N 382.052 2.613 0 1 GFAF C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2C(=O)O1 214136535 SXHXNWAJMDYKPB-PIGZYNQJSA-N 387.819 2.867 0 1 GFAF COc1c2c(cc3c1OCO3)[C@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)OC[C@@H]1C2 14641208 CCJWJASNEQOVDI-FJNPEDAXSA-N 382.368 2.630 0 1 GFAF biogenic NC1=N[C@](CF)(c2cc(C(=O)NC3CC3)ccc2F)C[C@@H](C(F)(F)F)O1 223558473 JWRXCQVVSVKPKE-SWLSCSKDSA-N 377.313 2.549 0 1 GFAF NC(=O)c1cc(-c2ccc(F)cc2)c2cc(F)c(CN3C(=O)CCC3=O)cc2n1 221615314 AGFXVEKKLZNIOD-UHFFFAOYSA-N 395.365 2.928 0 1 GFAF NCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085302 QPTCNBGKRMUWQJ-CQSZACIVSA-N 379.869 2.570 0 1 GFAF CCO[C@H](Cc1ccc(OCCN2CC=C(c3cnccn3)CC2)cc1)C(=O)O 45498798 QFNOFSYQAZZGQX-OAQYLSRUSA-N 397.475 2.677 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NC(C)C)[C@H]2CN(C)C(=O)CC)cc1 95895742 YDHFMTCRVQBOGL-SXQFCJCFSA-N 387.524 2.835 0 1 GFAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccnc4ccccc34)c3c(N)ncnc32)C1 95574436 PAINXDCXIGAJQR-CQSZACIVSA-N 399.458 2.973 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]1[C@@H]3CN[C@H]1C(=O)O 586990058 UPTOOBHRKLZMNH-LKOHXCRBSA-N 386.407 2.854 0 1 GFAF Ic1cnc2[nH]c(Cc3csc4nccn34)nc2c1 587040368 JTSPUQDNWONDHF-UHFFFAOYSA-N 381.202 2.863 0 1 GFAF Cc1nn(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)c1Br 586979435 ZRQAOGXZVLIDST-UHFFFAOYSA-N 375.152 2.947 0 1 GFAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 586936792 VBDVDWOFDDBSKS-UHFFFAOYSA-N 376.335 2.801 0 1 GFAF Clc1ncnc2[nH]c(-c3ccc4ncc(I)n4c3)nc12 587186699 PIPCJDIGJAHXLM-UHFFFAOYSA-N 396.579 2.926 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(Br)ccnc2[nH]1 587229837 CLOWJUUVDTUHEG-MNOVXSKESA-N 381.274 2.757 0 1 GFAF Cc1c(O)ccc2c1[C@@](C)(CC(=O)N[C@H]1CCc3ccccc31)N[C@H](C(=O)O)C2 963548364 FIUYIRMDFCKSJA-IUKKYPGJSA-N 394.471 2.709 0 1 GFAF Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NC[C@@H]1CCCO1 5058094 HIFWTSOJDUKWCW-QWXGXRTQSA-N 396.896 2.847 0 1 GFAF CN1C[C@H]2CC[C@@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 5851231 AJTUHKLZAPUJNI-VXGBXAGGSA-N 389.402 2.596 0 1 GFAF CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3)nc2n(CCC)c1=O 12405389 SZJKQJGKAMVBNH-CSKARUKUSA-N 398.463 2.894 0 1 GFAF NS(=O)(=O)Oc1ccc2c(c1)[C@H](O)C[C@@H](C13CC4CC(CC(C4)C1)C3)O2 13491353 BSAFHRHNJBXDTM-WQUDHZCYSA-N 379.478 2.670 0 1 GFAF O=c1[nH]c(Cc2ccccc2-c2ccnnc2)nc2c1cnn2C1CCOCC1 169699890 LMJUTXFYRPIPJA-UHFFFAOYSA-N 388.431 2.519 0 1 GFAF CN1CCC(SC(=S)NCCCCNC(=O)NCc2ccccc2)CC1 1857553880 BGTXISLSPBSELH-UHFFFAOYSA-N 394.610 2.968 0 1 GFAF CC(C)CCNC[C@@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@H]1O 2356301451 ANGOZRYREDMATQ-TYPHKJRUSA-N 379.545 2.747 0 1 GFAF COc1ccc2nc(C[C@@H]3CN(C(=O)NC(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356305726 AYDUXYKTANCQHF-UONOGXRCSA-N 388.468 2.645 0 1 GFAF CC(=O)c1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 4479713 UWKXVVCXYHSZAC-INIZCTEOSA-N 395.415 2.587 0 3 GFAF C=CC(=O)NC1=NC=C2N=CN=C(Nc3ccc(F)c(Br)c3)[C@H]21 101619097 QZBWWWPFBHEIES-CYBMUJFWSA-N 376.189 2.612 0 1 GFAF C[C@@H]1CN(CCCn2nc3ccccn3c2=O)CCN1c1cccc(Cl)c1 27089143 JEZUUZZPUBFISZ-MRXNPFEDSA-N 385.899 2.750 0 1 GFAF O=C1N[C@@H](C(=O)O)CCc2cn(cn2)CCCCOc2ccc(Cl)c1c2 103260957 NVXMKRZEAIXPMU-MRXNPFEDSA-N 377.828 2.525 0 1 GFAF NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3cccnn3)ccc2c1=O 27308130 PWFLXMHXXMDHPB-UHFFFAOYSA-N 392.802 2.906 0 1 GFAF CC(=O)[C@@H]1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1 110650307 VIDKWVJJWDHXJJ-VQTJNVASSA-N 376.412 2.774 0 1 GFAF CC[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(Cl)cc2)C1=O 61959667 IMBUNDYSCNDKQC-HNNXBMFYSA-N 387.871 2.704 0 3 GFAF Cc1cc2c(c(=O)o1)C[C@@H]1[C@](C)(CC[C@@H]3C(C)(C)OC(=O)C[C@@H](O)[C@@]31C)O2 2356460125 JZUWHWXBAGVOIA-PSROTBAVSA-N 376.449 2.761 0 1 GFAF COC(=O)[C@]12CCC(C(C)C)=C[C@@H]1[C@]1(C(=O)OC)CC[C@H](O)[C@](C)(O)CC[C@H]21 2356789074 CVPALXWAMDMLNG-HTQMUYGQSA-N 394.508 2.613 0 1 GFAF COC(=O)C(=C\c1cc(OC)c(OC)c(OC)c1)/C(=C\c1ccccc1)C(N)=O 35078640 OHVFKSYQKWXSDA-VUTUTYQISA-N 397.427 2.838 0 1 GFAF O=C(Nc1cc(-c2ccccc2)on1)N1CCCN(C(=O)C2CCOCC2)CC1 71318198 LZTAORLDFXDEFJ-UHFFFAOYSA-N 398.463 2.834 0 1 GFAF CNC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O 72317599 LUDLSGUXLBEWMJ-UHFFFAOYSA-N 393.274 2.524 0 1 GFAF CCN(CC)CCCNc1nc(NC[C@@H](C)O)c2cc(OC)c(OC)cc2n1 82129255 WPAOVIIADKBHIF-CQSZACIVSA-N 391.516 2.584 0 1 GFAF NC(=O)c1ccc(N2CCN(c3ccc(F)c(Cl)c3)CC2)c2cncnc12 144965200 MXQPZBWSAGVTQO-UHFFFAOYSA-N 385.830 2.848 0 1 GFAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cc[nH]n4)c3CCN12 149066074 HCVGVQZSMDHHLL-UHFFFAOYSA-N 384.443 2.837 0 1 GFAF CNS(=O)(=O)c1ccc(N2CCC[C@H]2C)c(Nc2nc[nH]c3nccc2-3)c1 146066614 DFKMDVKXVKOZRJ-GFCCVEGCSA-N 386.481 2.550 0 1 GFAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 257387721 BMPRGPGLZWJNOP-DBMBGOQESA-N 378.465 2.897 0 1 GFAF endogenous,in-man NS(=O)(=O)c1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587013224 PKUFFHQUCKNJRA-UHFFFAOYSA-N 399.295 2.974 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(N)c(N)cc2[nH]1 586934585 BSPIRMNXJHDFBE-CQSZACIVSA-N 391.522 2.500 0 1 GFAF COC(=O)C[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587763799 MQDNHUAFFJKCMK-QGHHPUGFSA-N 396.260 2.663 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)O2 587396688 VQFYTAPXAMOETM-NJAMNNSSSA-N 387.480 2.977 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@](CO)(c1ccc(C(F)(F)F)cc1)NCC2 962931138 ZYOJPZVOSMBOGB-LJQANCHMSA-N 378.394 2.789 0 1 GFAF COC(=O)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651128 WYYBUAZSZXSEQZ-SFHVURJKSA-N 376.412 2.972 0 1 GFAF CCOC(=O)COc1cc(N2C(=O)[C@@H]3CCCC[C@@H]3[C@@H]2O)c(F)cc1Cl 169305730 ZZZSTYODQFTTEL-RVPKQNPDSA-N 385.819 2.892 0 1 GFAF COC[C@H](Cn1ncc(Cl)c(Cl)c1=O)NCc1ccnc2ccccc12 169328820 WGHWFRSQERZLDR-ZDUSSCGKSA-N 393.274 2.903 0 1 GFAF Cc1nc(NCCO)c2nc(-c3ccccc3)n(CC3CCN(C)CC3)c2n1 7991850 NWGRGOFAHMHRQS-UHFFFAOYSA-N 380.496 2.548 0 1 GFAF CC(C)CCN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@H]1COCCN12 2356289711 YDMKEGRPGKOCNA-IBGZPJMESA-N 391.943 2.597 0 1 GFAF C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)C1 20574313 ZRTBUNQMUFTSLY-CHWSQXEVSA-N 384.411 2.695 0 1 GFAF CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccc(F)cc2)nn1 2356298609 NYGLZCNUURQCNN-BHIYHBOVSA-N 399.514 2.742 0 1 GFAF COc1cc2nc(N3CCC([C@H](O)C4CCCC4)CC3)nc(N)c2cc1OC 29225721 BYPGPPJMLKQCRG-LJQANCHMSA-N 386.496 2.997 0 1 GFAF CNC(=O)c1cccc(Nc2cc(N3CC(Oc4ccc(F)cc4)C3)ncn2)c1 118585147 YHXRZQMYYMBNSW-UHFFFAOYSA-N 393.422 2.987 0 1 GFAF COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2cccnc2)C[C@@H]1C(C)C 2356316401 GDAWMWROHFQBPY-SLFFLAALSA-N 387.524 2.705 0 1 GFAF COc1c2c(cc3c1[C@@H](CC1=CC(N)=C4C=CC=C[C@@H]4N1C)N(C)CC3)OCO2 2356818464 DUAYJLHUITVMLT-RBUKOAKNSA-N 393.487 2.880 0 1 GFAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(Br)cc21 42922086 HRUCPMAUFWZHHA-LLVKDONJSA-N 384.226 2.612 0 1 GFAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)c1cnc2[nH]ncc2c1 223390757 MQIGINOTGYCQHA-OAHLLOKOSA-N 385.468 2.725 0 1 GFAF O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 95667048 ZWGMVECQFDOAKO-DHIUTWEWSA-N 399.494 2.937 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)c2ccccc2)C3)cc1 95667989 KJSMTYFUTMFWLU-SZPMNYNDSA-N 390.483 2.921 0 1 GFAF Cc1nc(O)nc(S)c1C(=O)N[C@@H]1[C@H]2CCCC[C@H]2N[C@H]2CCCC[C@H]21 254136643 ABTZKNNKLUKWHH-WORYOXIGSA-N 376.526 2.599 0 1 GFAF COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)[C@@H](O)C2 40848760 HTNJCCKJJVLCTO-YJBOKZPZSA-N 386.400 2.887 0 1 GFAF biogenic O=C(O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586955953 XCXCLQUIPHJOPA-UHFFFAOYSA-N 391.836 2.976 0 1 GFAF Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(N)=O 587578565 RHBSSCLSWFUTAK-UWJYYQICSA-N 378.384 2.707 0 1 GFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 587260317 UVUXUHMPEAZLCO-AWEZNQCLSA-N 382.420 2.998 0 1 GFAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 587208144 ZSVREOWZWKNSNQ-MRXNPFEDSA-N 379.376 2.881 0 1 GFAF Cc1nn(C)c(C)c1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582599 QDDPFGGWEUJYFS-UWJYYQICSA-N 394.383 2.684 0 1 GFAF C=CN1CC[C@H]([C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)C1=O 962891228 CTYGICARYPUJQG-IPJJNNNSSA-N 380.419 2.660 0 1 GFAF CCSN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 1772637947 LIMDXWQTTRHODS-UHFFFAOYSA-N 391.468 2.964 0 1 GFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4Br)C[C@@H]32)n1 169701349 CTTAQNIKFVJOHR-BBRMVZONSA-N 387.281 2.817 0 1 GFAF N#Cc1cccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCOCC2)c1 201541662 QFSCBJUMJVLBCZ-UHFFFAOYSA-N 397.431 2.915 0 1 GFAF CC(=O)Nc1ncc(CN2CC[C@@]3(CCN(c4cncc(C5CC5)n4)C3)C2)s1 1857542242 NXYVWDZCNBNGNE-HXUWFJFHSA-N 398.536 2.871 0 1 GFAF COC(=O)[C@@H]1CCC(=O)N1[C@H](c1ccc(OC)cc1)c1ccc2c(c1)OCO2 1645078 NIUHAHUFZKQQOF-OXJNMPFZSA-N 383.400 2.677 0 1 GFAF O=C(O)C[C@H]1CCN(C(=O)c2cccc(F)c2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356588260 NIMHPVMUVISVMY-HIFRSBDPSA-N 396.422 2.893 0 1 GFAF CCCCC(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)[C@@H]3CO[C@H](CCC(C)C)[C@H](O)[C@@H]3C[C@@H]12 2356721766 NUKSXBQXIWCMAT-DYDYMRKJSA-N 394.508 2.695 0 1 GFAF CCCCNC(=O)[C@@H](c1ccccc1)N1C(=O)C[C@H]1C(=O)OCc1ccccc1 28524363 ITRGJDGWDLFSCE-PZJWPPBQSA-N 394.471 2.988 0 1 GFAF COc1ccc(-n2nc(N3CCC[C@H](C(=O)NC4CCCC4)C3)ccc2=O)cc1 35482853 YODCZIRUYBOXHB-INIZCTEOSA-N 396.491 2.516 0 1 GFAF Cc1cc2cc(NC(=O)C[C@@H]3C(=O)N[C@@H](c4ccccn4)N[C@@H]3C)ccc2[nH]1 212565613 WHVIEQPOIMYGKR-PSGMQZRDSA-N 377.448 2.623 0 1 GFAF CNc1c(Br)cnc2[nH]c(-c3cnn(C4CCN(C)CC4)c3)nc12 84602254 MERPPDGMBNDZGS-UHFFFAOYSA-N 390.289 2.892 0 1 GFAF CN(Cc1nc2cccc(C(=O)NCCCN)c2[nH]1)[C@@H]1CCCc2cccnc21 45298622 FWLUMBYTIIJUCR-GOSISDBHSA-N 392.507 2.546 0 1 GFAF CN1C(=O)[C@@]2(C)S[C@@]1(c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 254076134 HVPHFUKVAWYJPT-ALGWMNEGSA-N 378.453 2.623 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(CSC(C)(C)C(=O)O)[nH]c2c1 586959010 KHKHZAKIYVWABW-UHFFFAOYSA-N 385.511 2.738 0 1 GFAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587439146 JRCAOTHUMGCJNH-WHZOSXIASA-N 385.460 2.523 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(=N)[nH]cc32)N1 587742511 AIHAUROLCQRLNA-HUTHGQBESA-N 377.261 2.905 0 1 GFAF C=C1NC(=O)C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)=C(C)N1 587793711 KOYUWOYLIRQNGX-WNWIJWBNSA-N 380.261 2.802 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCS3(=O)=O)cc1)O2 587412562 ZWYMOXVKQLGGEA-HXUWFJFHSA-N 386.473 2.998 0 1 GFAF C[C@]1(c2ccccc2S(C)(=O)=O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962716349 UGQHQJLESFGFPK-QAPCUYQASA-N 397.418 2.999 0 1 GFAF Cc1ncccc1-n1cc(C(=O)N[C@H]2C[C@H]3COC[C@@H](C2)N3C)c2ccccc21 1772602090 YYNMAWNXIUMHBA-NNZMDNLPSA-N 390.487 2.925 0 1 GFAF COc1c(-c2cn[nH]c2)ccc(C(=O)N[C@H](CO)c2c(F)cccc2F)c1F 1772583573 PKMQNJPAXXVFEE-OAHLLOKOSA-N 391.349 2.966 0 1 GFAF O=c1cc(-c2ccccc2)oc2c(OCCN3CCOCC3)c(O)cc(O)c12 1772652061 ZFENWQVTVLGJDO-UHFFFAOYSA-N 383.400 2.582 0 1 GFAF COC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19236988 HPUXACWYEUDBLN-RQXXJAGISA-N 396.418 2.516 0 1 GFAF CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)CCC(=O)OC)c3ccccc23)S1 169319788 HIULNWLCHNMPFA-PIGZYNQJSA-N 387.461 2.556 0 1 GFAF CN(C[C@@H]1CCCO1)C(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166674247 FOWBOHCRDNWWAF-IBGZPJMESA-N 380.448 2.880 0 1 GFAF O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2[C@H]1C1CCOCC1 201383574 VRGCOPCYTKOSEK-JOCHJYFZSA-N 386.536 2.824 0 1 GFAF Cn1cc(-c2cc3c(-c4cccc(NCC5CCNCC5)n4)n[nH]c3cn2)cn1 205251480 RZHKFUHFPSNNES-UHFFFAOYSA-N 388.479 2.832 0 1 GFAF Cc1cc(COc2nn(C)c3cc(N=c4[nH][nH]c5cccnc45)ccc23)on1 1857650487 SDOVNZCGLCORAZ-UHFFFAOYSA-N 375.392 2.886 0 1 GFAF COc1cc([C@@H]2C(=O)N(C)C(=O)N2c2ccc(C)c(N)c2)cc(OC)c1OC 1857761340 ZRPZBMHIPVIVPA-QGZVFWFLSA-N 385.420 2.743 0 1 GFAF COc1ccccc1N1CCN(C/C=C/CN2C(=O)c3ccccc3C2=O)CC1 55662780 UTHGTZIOOOGGBI-VOTSOKGWSA-N 391.471 2.670 0 1 GFAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)CC1 101500640 UQXQAGYSHXYJIO-WOVMCDHWSA-N 391.537 2.713 0 1 GFAF COc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@@H]2COc3ccccc3O2)CC1 27894974 MXCBZTKRCHIXQW-QGZVFWFLSA-N 395.459 2.815 0 1 GFAF Cc1c(N2CC[C@@H](N(C)C3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 27418656 HPCSEHOWZLDWHU-OAHLLOKOSA-N 399.466 2.996 0 1 GFAF O=C1c2c(O)cc(O)c(Cc3cccc(O)c3)c2O[C@@H](c2ccc(O)cc2)[C@H]1O 2356659756 QTQFIIUIOXANIY-SFTDATJTSA-N 394.379 2.777 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)C2=C1C[C@@H]1C(=CO[C@@H]3C=C(C)C(=O)O3)C(=O)O[C@H]21 2356706285 AOHYMVJOAOUQHB-ANRZDRKOSA-N 388.416 2.710 0 1 GFAF C[C@@H]1NC(c2c[nH]c(=O)c(F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 71295444 FHZKXQUUEQOTNN-YBTHPKLGSA-N 384.361 2.869 0 1 GFAF CCCCCCN1CCN([C@@H]2CN(Cc3ccc(C)cc3)S(=O)(=O)C2)CC1 72135725 YFEQTQSTKMYSHF-OAQYLSRUSA-N 393.597 2.707 0 3 GFAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)C[C@@H]1c1ccccc1 40936446 RHQQBOMMVMDSSA-WBVHZDCISA-N 386.839 2.804 0 1 GFAF CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccccc3)ccc2=O)CC1 25233027 ZOTWLHQQRTZVRK-QUCCMNQESA-N 391.515 2.945 0 1 GFAF biogenic O=C(NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccc1)c1ccccn1 95667730 ZMSXXEFMZFVTQA-YTFSRNRJSA-N 387.483 2.841 0 1 GFAF CCC(=O)N1[C@H](CN(CC)C(=O)c2ccccc2)[C@H](c2ccccc2)[C@@H]1CO 95895339 XOJCLLCNPDDULP-URVUXULASA-N 380.488 2.914 0 1 GFAF O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95893450 KNVYHLTXMAQUKI-HKBOAZHASA-N 391.471 2.588 0 1 GFAF O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(C5(O)CCCC5)nc4)ccc3N12 95583607 BHJUNMCOWBZEJR-WMZOPIPTSA-N 382.416 2.589 0 1 GFAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)[C@@H]1C2 253677945 QLJHRHJFUIHEAT-LEAZDLGRSA-N 384.476 2.878 0 1 GFAF COc1cc(O)c2c(=O)c(-c3cc4c(cc3O)OC(C)(C)[C@@H](O)C4)coc2c1 49000003 KGVYNCMLLUQNGS-SFHVURJKSA-N 384.384 2.954 0 1 GFAF biogenic CC1=C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)OCC(=O)OC(C)(C)C 299832645 KATYGPKDIWWZCL-GRWRMRARSA-N 380.481 2.842 0 1 GFAF CC(C)c1ccccc1OCCN1CC(NS(=O)(=O)c2cccc(F)c2)C1 653699888 GVXPQDLBKKPLNX-UHFFFAOYSA-N 392.496 2.991 0 1 GFAF O=C1c2ccc(O)cc2O[C@]2(CCCS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 587374454 KJEJBEXDOJGUOF-MJGOQNOKSA-N 376.405 2.838 0 1 GFAF Cc1c(I)cnn1[C@@H](C)c1nc2cccc(C(=O)O)c2[nH]1 587182906 UBEJPILRUSJHMP-QMMMGPOBSA-N 396.188 2.980 0 1 GFAF C[C@@H](/C=C/C(=O)O)[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587832690 ZXWMPRANBMOBFW-PGSBRDOSSA-N 386.217 2.679 0 1 GFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnn(C)c1N 587866832 QGGSXBJQXFLVGV-UHFFFAOYSA-N 379.342 2.972 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586950835 DMSLHYYSWPHUEX-UHFFFAOYSA-N 380.348 2.923 0 1 GFAF O=C(N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)C(=O)O)OCc1ccccc1 587202521 IYCUAFGHIRMVQA-CQSZACIVSA-N 375.331 2.763 0 1 GFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2nc(Br)c[nH]c-2n1 587194897 ZGVGHWDIUFJAJQ-SECBINFHSA-N 399.293 2.585 0 1 GFAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)cn2)c1F 1772641098 UZGKAMRLRYXEGJ-QMTHXVAHSA-N 392.862 2.992 0 1 GFAF C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 5764335 POWMMMXVDBMFMP-QPMAGJLNSA-N 388.504 2.783 0 1 GFAF world Cc1onc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1C 169351689 MNRKZPSXVQZMRQ-UHFFFAOYSA-N 384.411 2.989 0 1 GFAF COC(=O)Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21 3834091 KNIFQDAVGJMBRW-UHFFFAOYSA-N 379.203 2.521 0 1 GFAF COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 64637944 BRAUMBYHJTYHKU-XVOSZGLDSA-N 379.412 2.885 0 1 GFAF CC(C)C(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 28104614 WXJKTTVGVITSOL-VRAFFPSXSA-N 395.499 2.862 0 1 GFAF NCCNCc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 66157168 FNEPLPAYLVDBNM-UHFFFAOYSA-N 380.473 2.597 0 1 GFAF O=C1CO[C@@H]2CN(Cc3cccnc3)C[C@@H]2N1Cc1cccc(C(F)(F)F)c1 2356756043 OMCSVPNOTSZQOU-ZWKOTPCHSA-N 391.393 2.712 0 1 GFAF CS(=O)(=O)N1CCC(N[C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72100829 JYLFJBUYLNEPFH-GOSISDBHSA-N 397.903 2.977 0 1 GFAF CC(=O)NCC1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40916084 AFNGAPRMNKJDQA-HSZRJFAPSA-N 392.503 2.962 0 1 GFAF Cc1cnccc1COc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 84733177 JXIQMANEVJFITM-UHFFFAOYSA-N 385.468 2.816 0 1 GFAF O=C(O)[C@H]1CCN(Cc2nc(O)c3oc4ccc(Br)cc4c3n2)C1 84669824 XQEZXMGUDOPHOF-QMMMGPOBSA-N 392.209 2.751 0 1 GFAF COc1ccccc1C=c1nc(O)c(=Cc2cccc(Cl)c2Cl)nc1O 299856174 IMSGCWQAKDXJCM-UHFFFAOYSA-N 389.238 2.861 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O 587448426 IYLAEYDYPILCOD-JXFKEZNVSA-N 387.457 2.608 0 1 GFAF CCOC(=O)CC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400522 QGNFWHQOSHIXFH-XOBRGWDASA-N 377.437 2.824 0 1 GFAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)cc1 586931520 WNJWATWWBXTLDN-UHFFFAOYSA-N 394.460 2.518 0 1 GFAF CCN(CC)c1ccc(-c2nn(C(=O)CCO)c(=O)c3ccccc23)c(O)c1 587666261 CIEISKCPKNBLSG-UHFFFAOYSA-N 381.432 2.638 0 1 GFAF NC(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117180 AKNFTBOOILOKGL-UHFFFAOYSA-N 376.298 2.580 0 1 GFAF CCS(=O)(=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 586968690 PYLRIIADNOBCSV-UHFFFAOYSA-N 377.447 2.595 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CCC[C@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962693250 BBVZROAKEFWXFG-WTGKGTDWSA-N 390.524 2.857 0 1 GFAF COc1ccc(OC)c([C@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)c1 963136051 XKMAZANLUFSEEQ-OAQYLSRUSA-N 385.416 2.656 0 1 GFAF CNC(=O)C1=Cc2ccc(OC)cc2O[C@H]1c1cc(OC)c(OC)c(OC)c1 13553847 AMZQCHSWYXTZOT-IBGZPJMESA-N 385.416 2.984 0 1 GFAF O[C@@]1(c2ccc(I)cc2)c2ccccc2C2=NCCN21 13760562 LUUUMVZNPJBMBU-INIZCTEOSA-N 376.197 2.560 0 1 GFAF CCCCc1n[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832664 ZPPLJKNHXCIPHL-UHFFFAOYSA-N 375.436 2.809 0 1 GFAF COC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169298928 NKPHVJAVUYSGSZ-QLDGJZPUSA-N 396.418 2.516 0 1 GFAF Cc1cc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)on1 1857550960 WOSJNEWKEJUSRT-UHFFFAOYSA-N 388.431 2.799 0 1 GFAF CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 4971985 HFZAJNGEGOCQHQ-AWEZNQCLSA-N 375.494 2.550 0 3 GFAF CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@@H]1c1cccs1 110730735 IHYDTOOPTPABPS-CABCVRRESA-N 376.503 2.713 0 1 GFAF COC(=O)[C@@H]1CC2=C(CN1Cc1cccnc1)N(Cc1ccc(Cl)cc1)[CH]N2 2356845683 XREBQVLMLPCIFI-IBGZPJMESA-N 397.886 2.919 0 1 GFAF CCS(=O)(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184431 SIGOLSHECNDVIW-GOSISDBHSA-N 379.913 2.792 0 1 GFAF CC(=O)OC[C@@]1(C)C2=CC[C@H]3C[C@@](C)([C@@H](O)CO)CC[C@]3(C)[C@H]2CC[C@@H]1O 34287837 WTYBTRGTZZAJCG-WMBWNXPESA-N 380.525 2.823 0 1 GFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2c(OC)cccc2OC)C1 36380745 PPWXDJNQYCXHSB-UHFFFAOYSA-N 390.509 2.761 0 1 GFAF NS(=O)(=O)c1ccc(NN2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1 84731389 MDPPXDRCGARZBD-OAHLLOKOSA-N 383.882 2.589 0 1 GFAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CO)nc1C#N 220784122 PDYGVRQAMDQWBJ-UHFFFAOYSA-N 397.438 2.860 0 1 GFAF CN[C@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 143345448 VZSIGWGZEMFECR-DJJJIMSYSA-N 376.378 2.899 0 1 GFAF N[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1cc(-c2cnc3cccnn23)cs1 96177975 VQUYUSDGYQLMQE-XHDPSFHLSA-N 377.420 2.703 0 1 GFAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccccc3)cnc2O[C@H]1CN(C)C 95711525 WYWRIWAKLMZJHI-FTRWYGJKSA-N 383.492 2.530 0 1 GFAF CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431007 XQIGKBFUIXBNJM-VGOFRKELSA-N 381.428 2.967 0 1 GFAF COC(=O)c1cccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c12 586941685 VFWUKOZCKQOFHS-ZHACJKMWSA-N 385.445 2.748 0 1 GFAF CCOC(=O)[C@@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742664 SUZZGTIINSUGIQ-SNVVVFEHSA-N 385.277 2.956 0 1 GFAF N[C@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(Br)cc1 586997209 OYORQWZCFDOGPW-LLVKDONJSA-N 387.237 2.899 0 1 GFAF COC(=O)[C@]1([C@@H]2CCCC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587805544 HKOLSVUQTKEZSP-CINOJJQCSA-N 384.245 2.860 0 1 GFAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(F)c(Br)c3[nH]2)c1 587259785 IMYDNWXHQCKIRF-NSHDSACASA-N 377.217 2.806 0 1 GFAF Cc1cnc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cn1 963150691 RXUIMTSZFADNCI-CHWSQXEVSA-N 376.438 2.577 0 1 GFAF CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(C)c(F)cc3nc2-1 13556286 WHJKBELOHNDFGG-QFIPXVFZSA-N 394.402 2.917 0 1 GFAF Cc1n[nH]c(C)c1CCNCc1ccc(OC[C@H](O)CN2CCCCC2)cc1 13596230 ZMPYWVFZLMUJCV-HXUWFJFHSA-N 386.540 2.584 0 3 GFAF COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2Cc3ccccc3O2)nc1=O 209692354 OPKHZFMSWRPFAF-QGZVFWFLSA-N 376.412 2.858 0 1 GFAF Cc1onc(-c2ccccc2)c1-c1ccnc(N[C@@H]2CCN(S(C)(=O)=O)C2)n1 1857653589 GWVBIKRQIXEIAX-OAHLLOKOSA-N 399.476 2.553 0 1 GFAF CCOC(=O)COC1=Nc2cc(OC)c(OC)c3nc(Cl)cc(c23)C1=O 1656639 XTEOWTJRCYUYNE-UHFFFAOYSA-N 378.768 2.711 0 1 GFAF O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N(Cc1ccccc1)CC1CCC1 55042431 MYSKFNVIECILFL-OAQYLSRUSA-N 395.503 2.799 0 3 GFAF CC(C)C[C@H](CO)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O 8680069 RSXCENTWUYMKHO-MRXNPFEDSA-N 386.414 2.787 0 3 GFAF CCNC[C@@H]1CCN(c2cc3c(c(C)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27546676 IJLKQVXVFIOGRG-ZDUSSCGKSA-N 387.455 2.918 0 1 GFAF NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(O)c3)c2c1N 73240602 MXIYRKZKZZAVHV-UHFFFAOYSA-N 375.841 2.973 0 1 GFAF CCCNC(=O)N1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@@H]2C1 6636179 ARSMADXJZNKMDL-KRWDZBQOSA-N 398.488 2.613 0 1 GFAF biogenic CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H]3CCNC[C@H]3O)nc12 1911583178 FBEPFTDQWOUNNC-QZTJIDSGSA-N 380.496 2.600 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2 84724964 KZMMOGWSMBTTFY-GDFGMOSZSA-N 392.448 2.546 0 1 GFAF C[C@H](N)C(=O)NCc1cccc(-n2cncc2-c2nnc(-c3ccccc3)o2)c1 40880364 WVVLEGUSQWWYOH-AWEZNQCLSA-N 388.431 2.553 0 1 GFAF CC(=O)NCCn1c(CC(C)C)nc2c(NCCc3ccccc3F)ncnc21 82180884 GJJKSGGRHIFSEJ-UHFFFAOYSA-N 398.486 2.955 0 1 GFAF CNC[C@H]1Oc2ncc(/C=C/c3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95734645 HURDRCJWSCCATG-QXBUYXJFSA-N 395.503 2.692 0 1 GFAF C[C@@H](CO)Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 142333986 ATRLVPLKGMTSHY-LBPRGKRZSA-N 382.395 2.967 0 1 GFAF CCN1c2ccccc2[C@]2(CS1(=O)=O)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587450441 GONNSSVGWADGLL-QRWLVFNGSA-N 385.441 2.508 0 1 GFAF COC(=O)C[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587762190 DQLCLFNMFQNHKY-BTDLBPIBSA-N 396.260 2.663 0 1 GFAF Cc1cc(=NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]o1 587580994 UOETYKQBRMUREV-WIYYLYMNSA-N 394.383 2.860 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ncc[nH]c-3n2)C[C@H]2CCCC[C@@H]21 586957766 DYNBQHQVHRNDEJ-KBMXLJTQSA-N 383.477 2.999 0 1 GFAF CN1CCN(c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)CC1 587512551 FCCXHQKXXHVBJN-HXUWFJFHSA-N 378.476 2.814 0 1 GFAF O=CNC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567860 AHVNDHXBIDEXBH-SIKLNZKXSA-N 375.380 2.995 0 1 GFAF Oc1nc(O)c2ccc(-c3cn(Cc4cccc(C(F)(F)F)c4)nn3)nc2n1 587368344 OAHVLEPKNRMBDR-UHFFFAOYSA-N 388.309 2.762 0 1 GFAF Cc1cc2c(cc1F)[C@@H]([C@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]31)NCC2 962091576 KYXZCUGCYDEVNF-XNIJUTNWSA-N 393.455 2.717 0 1 GFAF CC(C)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 5834753 PTPXTAZSWDQYTP-UHFFFAOYSA-N 387.455 2.952 0 1 GFAF CCOC(=O)C[C@H]1CCc2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc2O1 13914799 JQLSHBZNJIJYPF-QGZVFWFLSA-N 381.432 2.870 0 1 GFAF O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)ccc1NCc1cccnc1 168083812 ZNFUSHNZKCNOBJ-QZCPTFHJSA-N 389.411 2.703 0 1 GFAF COc1cc(/C=C/C(=O)N[C@H](OC)C(=O)c2c[nH]c3ccc(O)cc23)ccc1O 200368883 YGUUQJJEKRPTAT-FAZYEBOESA-N 396.399 2.573 0 1 GFAF COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1 1857561262 RBAPHMDTHUMNKX-PKNBQFBNSA-N 397.383 2.976 0 1 GFAF C=CC(=O)Nc1cccc(CNc2cc(Nc3cnn(CCOC)c3)ncn2)c1 1857620951 IDXWJAQQEXPKBP-UHFFFAOYSA-N 393.451 2.800 0 1 GFAF CC[C@H](C)NC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O 6807970 LBDMUFUTCCEDRN-ZDUSSCGKSA-N 384.455 2.917 0 1 GFAF O=C(CN1Cc2ccccc2C1=O)NCCN1CCC(Cc2ccccc2)CC1 6875845 PZISUVKULYLQJJ-UHFFFAOYSA-N 391.515 2.713 0 1 GFAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)O)c1 10450414 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Cc1nnc(OC[C@H]2CN(c3ccc(C4=CCOCC4)c(F)c3)C(=O)O2)o1 27417300 CLVIDQIKEYRNAT-CQSZACIVSA-N 375.356 2.725 0 1 GFAF O=C1N=C(O)C[C@]12c1ccccc1S(=O)(=O)N2Cc1c(F)cccc1Cl 27521571 FPBKBRBNNMBBSU-KRWDZBQOSA-N 394.811 2.766 0 1 GFAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(C(C)(C)C)n1 2356362654 DNNZSDGXOAZXGM-BURNTYAHSA-N 383.536 2.773 0 1 GFAF CC(=C[C@H](O)CC(C)=CCCCC(=O)CO)CC[C@@H](O)[C@@]1(C)CCC(=O)O1 2356746472 YKUZFPGHZVFVLY-SFHLNBCPSA-N 382.497 2.599 0 1 GFAF COc1cccc(C(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)c1 20556543 IEQWVBJTVUMVBG-UHFFFAOYSA-N 377.444 2.555 0 1 GFAF COc1cc([C@@H]2C3=C(COC3=O)Nc3c2cc(OC)c(OC)c3OC)ccc1O 71319150 DPAGJRPMLSWORM-INIZCTEOSA-N 399.399 2.795 0 1 GFAF CCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1F 82150721 PSIFHOZQPUXSHG-CQSZACIVSA-N 399.470 2.514 0 1 GFAF CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C(=O)O)cc2)C1=O 40895252 UOLUFPJCRSHVKK-UHFFFAOYSA-N 399.468 2.951 0 1 GFAF CCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3[nH]ncc23)c1 146292496 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C[C@H]1CC[C@H]2[C@@H](CN3CCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@H](N3CCCC3)[C@@H]12 27086191 HPVDMHVBTFPXQO-DZFSOBEDSA-N 388.552 2.730 0 1 GFAF CC(=O)O[C@@H]([C@H](O)CC(C)=CCCC(C)=CCCC(=CCO)CO)C(C)(C)O 2356405635 ZJXUGIHNAZCNTF-RTWAWAEBSA-N 398.540 2.804 0 1 GFAF CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccccc1 61923453 KRQOROZYEXYULJ-SFHVURJKSA-N 397.519 2.846 0 3 GFAF CCOc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cn2n1 72127000 LSAHNMRASSWFHZ-UHFFFAOYSA-N 382.468 2.912 0 1 GFAF COc1ccccc1-n1nnc(C)c1C(=O)N1CCN(c2ccccc2)CC1 84739244 ZVQLLFPQNGCVKV-UHFFFAOYSA-N 377.448 2.547 0 1 GFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(C3=NO[C@H](C)C3)c2cn1)c1ccccc1 261142822 NIYFEKSTTDKJIW-SJKOYZFVSA-N 394.435 2.980 0 1 GFAF Cn1ncc(NC(=O)OCc2ccccc2)c1N1CC[C@H](N)CC(F)(F)C1 473135317 HMLYSDWOBSLURO-AWEZNQCLSA-N 379.411 2.732 0 1 GFAF O=C(O)[C@H]1CC[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603927 QDDUCZWAJKQLAT-WNFVNPRSSA-N 398.367 2.678 0 1 GFAF C=C1NC(=O)C([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)=C(C)N1 587798665 VANLAZIWLLIOPP-WNWIJWBNSA-N 380.261 2.802 0 1 GFAF CN1C(=O)C[C@H]2CN[C@@](CSCC(=O)O)(c3ccccc3)c3cccc1c32 963018993 DFEYBECPNKKGBH-QKKBWIMNSA-N 382.485 2.801 0 1 GFAF COc1cc2c(cc1OC)[C@](C)(c1cnc[nH]1)N(C(=O)c1ccccc1N)CC2 963161663 URFKPWASFNEPKR-JOCHJYFZSA-N 392.459 2.971 0 1 GFAF Cc1c(O)ccc2c1[C@@H](C1(C)CN(C(=O)OC(C)(C)C)C1)N[C@H](C(=O)O)C2 963525215 LQVHLOMMGPASGS-BBRMVZONSA-N 376.453 2.598 0 1 GFAF COc1cccc(OCc2cc(C(=O)N3CCN(C4CCCC4)CC3)no2)c1 15072671 BPLDZHXMCSKWKM-UHFFFAOYSA-N 385.464 2.963 0 3 GFAF C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1N)c1ccc(C(=O)NC2CC2)cc1 1857612437 HMHIDOAKZMQUIY-CQSZACIVSA-N 389.459 2.838 0 1 GFAF COc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)O[C@](C)(CO)CC2 3644977 MOBCUWLJOZHPQL-NRFANRHFSA-N 384.384 2.956 0 1 GFAF endogenous,in-man Cc1nc(C)n2nc(S(=O)(=O)Nc3ccc(F)c(F)c3F)nc2c1Cl 103211122 GSCYVAXSYXCQFW-UHFFFAOYSA-N 391.762 2.613 0 1 GFAF CCN1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1 26440000 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COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)N1C(=O)CCC1=O)[C@@H](C2)C3=O 587440021 XVUGMVQKTCBCGW-ZZKQDXLVSA-N 391.423 2.876 0 1 GFAF CC(C)c1nn(C)c2c1[C@@](c1c[nH]c(C(N)=O)c1)(c1ccccc1F)NCC2 962925337 ZDTMBCWAMUMZQO-OAQYLSRUSA-N 381.455 2.547 0 1 GFAF COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1OC)CC2 13588506 CKJPETQDQGIHJS-UHFFFAOYSA-N 384.476 2.809 0 1 GFAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2F)cc1)C(F)(F)F 13760130 XMTZARBQNINRNK-OAHLLOKOSA-N 391.342 2.910 0 1 GFAF C[C@@]12[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@@H]1C[C@@H](O)C[C@H]2O 14777356 CSKIDXJFNAYMTR-IKHIKNNGSA-N 390.520 2.575 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC[C@]23CCCNC3)cc1)N1Cc2ccncc2C1 165849036 SPONHPDHHBKHKE-QFIPXVFZSA-N 391.475 2.597 0 1 GFAF COc1ccc(/C(=C/c2cc(OC)c(OC)c(OC)c2)c2nn[nH]n2)cc1OC 1857575506 BULYKMLIHCBZGD-ZSOIEALJSA-N 398.419 2.832 0 1 GFAF CC(C)NS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1 1857649685 SWVKCRYOXOLARV-UHFFFAOYSA-N 382.869 2.662 0 1 GFAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4CCN(C2=O)[C@H]13 100268663 LTQINICYLGNLHN-KVBRVCTMSA-N 382.460 2.790 0 1 GFAF CS(=O)(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 104042336 CXSKFQYQAVSDMQ-MRXNPFEDSA-N 385.424 2.845 0 1 GFAF CC(C)c1nccc(C[C@@H]2[C@H](NC3CCC(F)(F)CC3)C[C@@H](O)[C@H]2CO)n1 2356309731 IJIRLUXFRATRKI-WNRNVDISSA-N 383.483 2.668 0 1 GFAF O=C(O)c1cn(C2CC2)c2c(F)c(N3CC[C@@]4(CCCN4)C3)c(F)cc2c1=O 26376937 LIEVRCWTSGGDMG-FQEVSTJZSA-N 389.402 2.645 0 1 GFAF CCN(CC)CCCNC(=O)CCN1C(=O)c2cccc3cccc(c23)C1=O 31848095 FHPUKVKDFGTISK-UHFFFAOYSA-N 381.476 2.674 0 1 GFAF CC[C@@H]1C=CCC[C@]2(C[C@@H]3CC[C@@H]4C[C@]5(NC(=N2)N34)O[C@@H](C)CC[C@@H]5O)O1 2356508056 PVERDUFTDYLFAY-BJFZXJCHSA-N 375.513 2.670 0 1 GFAF CO[C@H]1[C@H]2[C@@H](O)O[C@@H]1[C@]1(C)CC[C@@]3(C(=O)O)CCC(C(C)C)=C3[C@H]1C[C@H]2OC 40896125 SJRSXOFCFKORFT-GUVFJYCFSA-N 394.508 2.987 0 1 GFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@@H]3c3ccccc3F)cc2N1 82149472 PCGOQTMXPHYEIV-QGZVFWFLSA-N 381.392 2.848 0 1 GFAF CC[C@H]1[C@@H]2[C@@H]3CC[C@H]([C@@H]4C[C@H](C)C(=O)O4)N3CCC[C@H]2O[C@]12C=C(C)C(=O)O2 238761659 UINUUSQOLRQGNF-LEWBWQKWSA-N 389.492 2.805 0 1 GFAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 95794112 UVQGOMIEIBUXJK-TZIWHRDSSA-N 382.504 2.545 0 1 GFAF O=C(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)n1 95552181 HHSZUJCBROAKTA-LBPRGKRZSA-N 399.373 2.943 0 1 GFAF CCN(CC)Cc1cn(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)nn1 98081954 LDPBTJJFHYMEPW-UHFFFAOYSA-N 399.426 2.596 0 1 GFAF Cc1cccnc1-c1cc(N2CCN(C(=O)CC(C)(C)O)CC2)ncc1Cl 141978520 XTXSAWMGFAKDAH-UHFFFAOYSA-N 388.899 2.915 0 1 GFAF CCCC(=O)N1CC2(CCN(C)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO 95867467 UFULIBISIAPRDQ-IBGZPJMESA-N 399.535 2.826 0 1 GFAF COc1ccc(OC)c(Sc2ccc3nnc(Cc4cnn(C)c4)n3n2)c1 299835521 WGZKHHXQWKDFNO-UHFFFAOYSA-N 382.449 2.617 0 1 GFAF COC(=O)C[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587762194 DQLCLFNMFQNHKY-QGHHPUGFSA-N 396.260 2.663 0 1 GFAF COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccccc1F 587650195 PCRXYVNAPLSIAO-UHFFFAOYSA-N 375.377 2.728 0 1 GFAF Cc1c(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)oc2c1[C@H](O)CCC2 586903551 LHBRGGREUSESIK-CQSZACIVSA-N 375.450 2.751 0 1 GFAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1 587924341 SRNCZKOWKPZRDG-UHFFFAOYSA-N 398.473 2.824 0 1 GFAF C[C@@H]1CC2(CC[C@@]13N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c13)OCCO2 962966813 AMLCKMZEFBOFDA-AKCUIXRJSA-N 387.810 2.976 0 1 GFAF Cc1cc2c(cc1O)C1(N[C@H](C(=O)O)C2)c2cc(O)ccc2-c2ccc(O)cc21 963529895 ZOQZRLCTVQAVDS-FQEVSTJZSA-N 389.407 2.983 0 1 GFAF C[C@H]1O[C@]2(OCc3ccc(Cc4ccc5ccccc5c4)cc32)[C@H](O)[C@@H](O)[C@@H]1O 1857542122 TYAPJAQCFJGTNX-RAEJBKIPSA-N 392.451 2.615 0 1 GFAF CN1CCN(c2ccc(Nc3cc(-c4ccc(C(N)=O)s4)[nH]n3)cc2)CC1 1857568295 QSEZZLCDVJJUJO-UHFFFAOYSA-N 382.493 2.733 0 1 GFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(F)cc3)C[C@@H](O)[C@H]2CO)n1 2356310689 CQQTWSBENNWYNN-VNTMZGSJSA-N 387.499 2.603 0 1 GFAF Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 28826551 XAQLBPYOFGXFIX-UHFFFAOYSA-N 392.440 2.634 0 1 GFAF CSc1ccc(CCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)cc1 103815938 YORJTPLSYDUFOR-UHFFFAOYSA-N 392.484 2.910 0 3 GFAF CC[C@H](NC(=O)COC(=O)c1cccnc1N)c1ccc(Br)cc1 24573778 IAABGBLPLJQQNE-AWEZNQCLSA-N 392.253 2.851 0 1 GFAF Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(N4CCCC4=O)cc3)C(=O)O2)s1 113066732 JDZMFDDYWDYSSV-INIZCTEOSA-N 399.472 2.939 0 1 GFAF CC(=O)OC[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@]4(O)CO 2356646998 XAWLPRCYLCCVFP-OJXKLFIISA-N 394.508 2.751 0 1 GFAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCCOc1cccc(C(F)(F)F)c1 35983632 COIJUCKICPZFBY-MRXNPFEDSA-N 399.413 2.881 0 1 GFAF CN1CCN(C(=O)C[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)CC1 79275035 XPWPCFUTJIBSJV-KRWDZBQOSA-N 384.867 2.601 0 1 GFAF COC(=O)c1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 36385682 SJKCKVJGRKNUNG-OAQYLSRUSA-N 386.467 2.681 0 3 GFAF CN1CCC=C([C@H]2CN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1 40954967 UHJVTQSGLLNIIE-LJQANCHMSA-N 378.538 2.636 0 1 GFAF CCOC(=O)c1c(NC(=O)C[C@H]2SC(=O)NC2=O)sc2ccccc12 45261217 OUWJBKAUOWOZND-SNVBAGLBSA-N 378.431 2.758 0 1 GFAF Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CCC[C@](C)(O)C5)ncn4)c3c2)cn1 225557803 BETKLLYGFNDSNS-NRFANRHFSA-N 389.463 2.772 0 1 GFAF C[C@H]1Cn2cc(-c3cc4c(cc3F)C(=O)[C@H](C(=O)O)CN4C3CC3)cc2CN1 45245905 UHDLDCOWNFSKEG-APPDUMDISA-N 383.423 2.652 0 1 GFAF N[C@H]1C[C@@H](N2Cc3nc(C(F)(F)F)[nH]c3C2)CO[C@@H]1c1cc(F)ccc1F 96284067 NRTUDFQDPVFTRM-MURWCNHISA-N 388.340 2.880 0 1 GFAF O=C(NC[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccccc2F)cc1)c1ccccn1 95895418 KNXYZMGFNOLZDW-VSKRKVRLSA-N 391.446 2.734 0 1 GFAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CN(C2COC2)C1 146477115 KURGRUDZIUQBKP-UHFFFAOYSA-N 381.402 2.925 0 1 GFAF O=C(NC1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 95864540 YIOYHPJYDXIXAV-LEWJYISDSA-N 383.536 2.953 0 1 GFAF CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895258 NIPDWBSESJFELC-BHIFYINESA-N 378.472 2.555 0 1 GFAF CN1CC[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C1N 96929117 QQYCZBPVVWBIFS-SFHVURJKSA-N 375.835 2.992 0 1 GFAF N[C@H](CCc1ccccc1)[P@](=O)(O)C[C@H](Cc1ccc(O)cc1)C(=O)O 299804947 STVSJGZHUJJREA-WMZOPIPTSA-N 377.377 2.824 0 1 GFAF Cc1c(Br)cnc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c12 586939006 MKYUXJPEPYYSHJ-UHFFFAOYSA-N 398.286 2.711 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C)([C@](C)(OC(C)=O)C(=O)OCC)CC2=O 587488463 ZXZVOWXCLMXSJC-WOJBJXKFSA-N 378.421 2.954 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587091349 DUZJNXJNQMWKLT-UHFFFAOYSA-N 388.371 2.963 0 1 GFAF CCc1ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2c1 587179846 AMZVJXHXXUFSMD-UHFFFAOYSA-N 396.188 2.829 0 1 GFAF CC(C)Oc1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2cc1Br 587260572 ZUMIFEAFYSEJBX-JTQLQIEISA-N 384.278 2.561 0 1 GFAF Cc1cccc2c1[C@@]1(N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)C(=O)N2 962628754 HNLBHJDYBJHWRY-SGTLLEGYSA-N 392.333 2.688 0 1 GFAF O=C1NCN(c2ccccc2)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 13864320 QATNQFJQXRFOHL-UHFFFAOYSA-N 399.878 2.997 0 1 GFAF CC(C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 169352012 ALGQPTBSZITRPW-UHFFFAOYSA-N 388.374 2.662 0 1 GFAF CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1F 169704421 PHBMRQRANARFGJ-MRXNPFEDSA-N 395.431 2.823 0 1 GFAF Oc1ccccc1N1CCN(C[C@H](O)COc2ccc(O)c3ccccc23)CC1 1857576341 WUIYLUXCLPWFDS-KRWDZBQOSA-N 394.471 2.813 0 1 GFAF CN(C)CCNC(=O)c1ccc(-c2nn(C)/c(=N\C3CCCCC3)s2)cc1 3972567 SZNZUZROGZEZQD-LSDHQDQOSA-N 387.553 2.673 0 1 GFAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 2356298096 UDEYGQNMOXDLQC-LZLYRXPVSA-N 399.988 2.671 0 1 GFAF COC(=O)[C@]12CCC(C(C)C)=C[C@@H]1[C@]1(C(=O)OC)CC[C@H](O)[C@@](C)(O)CC[C@H]21 2356789077 CVPALXWAMDMLNG-ZHTGMKMRSA-N 394.508 2.613 0 1 GFAF O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCNC[C@@H]1COc1cccnc1 114578812 YATLRKDGDMIICW-CQSZACIVSA-N 396.369 2.865 0 1 GFAF COc1ccccc1NC(=O)N1CCC(c2nc(-c3cnccn3)no2)CC1 72181090 UYJLTRZJZATFKV-UHFFFAOYSA-N 380.408 2.947 0 1 GFAF CCCNC(=O)[C@@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8473954 IWUOAJHLBOUPKG-VGSWGCGISA-N 396.491 2.754 0 1 GFAF biogenic CN(C)CCOc1ncc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)cn1 72185044 VSAUSIYKZXYZHX-FQEVSTJZSA-N 384.867 2.750 0 1 GFAF CCCn1c(=O)c2[nH]c(CCCc3ccccc3)nc2n(CCCOC)c1=O 43068903 SRNYIEUASJEHNI-UHFFFAOYSA-N 384.480 2.508 0 1 GFAF COc1ccccc1NC(=O)CN1CCCN(Cc2nc3ccccc3[nH]2)CC1 49088408 HSVRYDNYLXLQAT-UHFFFAOYSA-N 393.491 2.718 0 1 GFAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cccc(Cl)c2)n1 146981009 DTOFQGJNVRBQCD-GOSISDBHSA-N 383.839 2.834 0 1 GFAF O=C1c2ccccc2C(=O)N1CC1CCN(Cc2ccc(OCCO)cc2)CC1 95784688 RUDOHFXDTZRZEZ-UHFFFAOYSA-N 394.471 2.566 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3ccco3)Cc3nc(=N)[nH]cc31)O2 587389416 KHEZZVQZCXKIFL-XUSGNXJCSA-N 376.416 2.963 0 1 GFAF Cc1nc(N(C)C)ncc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587194553 JLQBBUHJWKGMSN-UHFFFAOYSA-N 376.214 2.855 0 1 GFAF CS(=O)(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984973 WVYLAAVHPSFTJA-ZDUSSCGKSA-N 394.294 2.971 0 1 GFAF COC(=O)c1cccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1 13677002 HNPSKFJZKVFBQJ-UHFFFAOYSA-N 395.411 2.995 0 1 GFAF NCc1ccc(-c2cccc(S(=O)(=O)N3CCC(c4cnco4)CC3)n2)cc1 201782065 IACMUFTVQPKVEC-UHFFFAOYSA-N 398.488 2.764 0 1 GFAF CCn1cc(-c2cc3c(-c4cccc(N5CCN[C@H](C)C5)n4)n[nH]c3cn2)cn1 205261115 GIEVZBXLLKCFDW-CQSZACIVSA-N 388.479 2.701 0 1 GFAF CCOC(=O)c1cc([C@]2(O)CCN(C[C@H](C)CC)C2=O)c(-c2cc(C)no2)[nH]1 1653950 CNOKFXLSLBHYKD-MPBGBICISA-N 389.452 2.621 0 1 GFAF CCOc1cc(C(=O)Nc2nnn[nH]2)nc(-c2ccc(N(CC)CC)cc2)c1 29313400 COONHWJQJIRHDW-UHFFFAOYSA-N 381.440 2.759 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccccn3)C(C)(C)C2=O)cn1 116673838 IWVCSZJLGRGGDE-UHFFFAOYSA-N 394.435 2.679 0 1 GFAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3Cc3ccc4c(c3)OCO4)n2)=CN1 2356862767 NMVWFPGLGLSZFM-MRXNPFEDSA-N 394.455 2.687 0 1 GFAF CNC[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C 61922865 VMUIUYUBOUUZSN-DRSNIGMVSA-N 382.504 2.931 0 3 GFAF NCCC(=O)Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 35000355 ZOULCJHSOKLTEE-UHFFFAOYSA-N 394.456 2.836 0 1 GFAF C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C[C@@H](O)c3ccccc3)CC(=O)N21 16032438 PNJBYUKBHJXKKR-JSNMRZPZSA-N 389.455 2.558 0 1 GFAF biogenic Cc1nn([C@@H]2CCCS2(=O)=O)c2ncc(C(=O)c3cc(F)ccc3O)cc12 1911579354 VERABFWJTDBTRC-INIZCTEOSA-N 389.408 2.523 0 1 GFAF COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4[C@@H]3CCOC3)n2)CC1 222710882 CBMMZVNQSZODPO-CQSZACIVSA-N 395.467 2.542 0 1 GFAF COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@@H]21 86038235 NXFSMEXZBFREEO-PPWUQONPSA-N 384.476 2.656 0 1 GFAF C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1ccc2c(c1)NC(=O)CO2 41920244 NCFPUUVKYXSVSV-VIFPVBQESA-N 391.786 2.626 0 1 GFAF COc1cccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)c1 198346496 JVONZUTUVAVGPK-NRFANRHFSA-N 377.440 2.939 0 1 GFAF CCN1N=C(C(=O)O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587436196 NNWSGEHWSNSTKB-SZNDQCEHSA-N 378.384 2.619 0 1 GFAF COc1cncc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586952356 BYLHFHRRJKJQTR-UHFFFAOYSA-N 387.446 2.891 0 1 GFAF N[C@@H](CP(=O)(O)O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586923366 SJGHPBLHEQYPIE-LURJTMIESA-N 388.080 2.522 0 1 GFAF Cc1c(Br)cnc2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc12 586961983 MZXSYTSLNGLLQG-ZCFIWIBFSA-N 381.259 2.960 0 1 GFAF O=C(N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)O)OCc1ccccc1 587201701 BINQIXPJIYWIJN-LBPRGKRZSA-N 393.321 2.902 0 1 GFAF CCNC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccccc2C1=O 13757410 VIFLRPYPHOYEOY-INIZCTEOSA-N 382.416 2.567 0 1 GFAF CCOC(=O)/C=C1\CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc21 15933841 RYQDPHUGUGSNLQ-FOWTUZBSSA-N 387.457 2.846 0 3 GFAF COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)c(F)c1 1857542646 DGWHNVKJUCFQPA-IBGZPJMESA-N 392.333 2.762 0 1 GFAF O=c1c2c([nH]c3ccccc13)[C@@H](c1sccc1CO)N(c1ncccn1)C2 1857754139 CKUDSTVORQTONJ-KRWDZBQOSA-N 376.441 2.982 0 1 GFAF CN[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C(C)C 2356325093 MXXFZXJSHIUFOL-FCHUYYIVSA-N 395.547 2.659 0 1 GFAF O=C(C1=CC2=N[C@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1)N1CCCC1 104032730 WBKHQMRKDZVDET-DZGCQCFKSA-N 382.361 2.926 0 3 GFAF NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 101366400 ACZXUEYRPYGYKP-OPVJXMOQSA-N 379.460 2.798 0 1 GFAF CCOC(=O)N1[C@H]2CC[C@H]1CC(N1CC[C@H](NC(=O)c3ccccc3C)C1)C2 101505693 PAINGJCKTPURNG-BZSNNMDCSA-N 385.508 2.951 0 1 GFAF Cc1ccnc(NC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)c1 20940371 TTZNOFPOQUNIOB-UHFFFAOYSA-N 379.351 2.533 0 1 GFAF O=C(Cn1[nH]cc2c3ccccc3nc-2c1=O)NCCc1ccc(Cl)cc1 103711306 TYIQXEDPWNJDRF-UHFFFAOYSA-N 380.835 2.842 0 3 GFAF CO[C@]12CC3=CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]3(C)[C@@H](O)C1=C(C)C(=O)O2 2356423301 UGNBFLDDUQOMHC-GQLAPXGBSA-N 376.449 2.818 0 1 GFAF Cn1cnc(NC(=O)c2cn(Cc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1 66078849 VUOVMAJLKDASEV-UHFFFAOYSA-N 384.749 2.984 0 1 GFAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(OC)ccc2Br)C1 61906595 PGVUCTZGMWGNRH-KRWDZBQOSA-N 383.286 2.836 0 3 GFAF O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccc(F)cc1 20355632 ZRUSYLZJGHPRPT-UHFFFAOYSA-N 387.480 2.952 0 3 GFAF CCN(CC)CCN(CCN(CC)CC)C(=S)NC(=O)c1ccccc1 26746776 ORARQUOHLHWFIT-UHFFFAOYSA-N 378.586 2.687 0 1 GFAF CCCO[C@]12[C@@H]3CC(=O)N4c5ccccc5[C@]5(CCN6CC(=CCO3)[C@H]1C[C@H]65)[C@@H]42 2356582529 LXCWOJFHNGQUTF-CVKPPXACSA-N 392.499 2.642 0 1 GFAF COc1ccc2c(c1O)N(C(C)=O)[C@@H]1[C@H]3CO[C@@H](C)[C@H]4CCC[C@]21[C@@H](N)C[C@H]43 2356586683 KJVGBOUBESFLFR-JVVAKAGXSA-N 386.492 2.556 0 1 GFAF C[C@H](c1ccccc1)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 27625240 PUNXMKKGIPMHLR-CQSZACIVSA-N 395.434 2.858 0 1 GFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OC)cc2OC)C1 36380740 PPPAPJFPGQOYCE-UHFFFAOYSA-N 390.509 2.761 0 1 GFAF COc1ccccc1N1CCN(CN2C(=O)C[C@H](c3ccccc3C)C2=O)CC1 40423872 OFFIEJQUHKHKQN-LJQANCHMSA-N 393.487 2.626 0 1 GFAF C/C=C1\CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 40972401 ILXSNNTYRNLDCX-NJFXSBFBSA-N 384.476 2.526 0 1 GFAF CN(C)CCOC(=O)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085792 IAVCQAKBHKISBQ-UHFFFAOYSA-N 381.885 2.640 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)c3ccccn3)N(C(C)=O)[C@H]2CO)cc1 95895048 WPXBDGFNEBLHLG-ISUJQMBSSA-N 393.487 2.562 0 1 GFAF C[C@@](CC(N)=O)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C1CC1 146401902 HWFRYNQHOHFLGR-KRWDZBQOSA-N 385.386 2.674 0 1 GFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2ccccc2O)CC1 254136572 STFNWNPBXHQKAQ-BTTITXTFSA-N 382.460 2.921 0 1 GFAF Cn1c(=O)n(C)c2cc3c(cc21)CCC[C@@H](O)[C@@H]3NCCCc1ccccc1 653842101 DQRFNWSYEZDRFE-FGZHOGPDSA-N 379.504 2.838 0 1 GFAF Nc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1N 587019939 TVNRPVCFFZOOAP-UHFFFAOYSA-N 380.433 2.733 0 1 GFAF CCc1cc(=O)oc2cc(C)cc(OCc3ccc4c(O)nc(O)nc4n3)c12 587562780 KODADFJJXBITBT-UHFFFAOYSA-N 379.372 2.992 0 1 GFAF NC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580167 RCFFTKFXPSPCSJ-UGKGYDQZSA-N 391.379 2.959 0 1 GFAF COc1cc2c3c(c1)O[C@]1(c4cccc5nc(O)n(c45)CC[C@@H]1N=O)[C@@H](C2)C3=O 587435950 KVCJKWTYJDGRGE-UYTHQXMGSA-N 391.383 2.932 0 1 GFAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Br)nc2[nH]1 586950185 RGCMRYALCQUNRF-UHFFFAOYSA-N 381.255 2.683 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587085954 PSVKBGWENXMAKO-UHFFFAOYSA-N 376.869 2.942 0 1 GFAF CN(CCO)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587567940 AWEOWSXPGFOKBM-SIKLNZKXSA-N 392.411 2.919 0 1 GFAF COc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1F 586925531 GMKOFQLOFIIIOR-UHFFFAOYSA-N 376.409 2.930 0 1 GFAF CNCCN1C(=O)[C@H](OC(C)=O)[C@H](c2ccc(O)cc2)Sc2ccccc21 13650941 WRFWPKPPSGMXIS-MOPGFXCFSA-N 386.473 2.723 0 1 GFAF COc1ccc(C[C@@]2(CCC(=O)N[C@@H]3CCOC3)CCC(=O)N2)c2ccccc12 14886587 IBXSPLXLESKATE-UZUQRXQVSA-N 396.487 2.725 0 1 GFAF CCN(CC)CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 16040718 DYHWWMWUDDFWMO-LJQANCHMSA-N 396.535 2.730 0 1 GFAF biogenic CC=C1CN2[C@H]3C[C@H]1C(C(=O)OC)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 2356413342 XMYAJPDPDDIQNV-BPQIPLTHSA-N 380.444 2.748 0 1 GFAF O=C(O)C[C@@H](N[P@@](=O)(O)CNC(=O)OCc1ccccc1)c1ccccc1 29399420 OIWDLUFNGFJOBA-MRXNPFEDSA-N 392.348 2.861 0 1 GFAF CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F 113489035 AEMCSPSTQZQJSA-UHFFFAOYSA-N 394.403 2.865 0 1 GFAF CO[C@]12C=C[C@]3(C[C@@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 100842421 VAGUZCYSBGOWIA-AZWDOEQXSA-N 395.499 2.528 0 1 GFAF CCC[C@H](C(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O 26506473 QZCNJOPJKKWXCI-LJQANCHMSA-N 395.459 2.801 0 1 GFAF COc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(N)(=O)=O)CC[C@@H]12 62027136 AOEHUXLJSHGXHN-QBQAKCNGSA-N 381.494 2.846 0 1 GFAF C/C1=C\C(=O)O[C@@H](C[C@@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C\CC1 195133726 JDROCHDFKUSVDQ-YRVLXHFPSA-N 397.537 2.938 0 1 GFAF NCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085388 SNCDCXUVVSCFSV-GOSISDBHSA-N 379.416 2.601 0 1 GFAF Cc1cc(-c2ccc3nc(Nc4cc[nH]n4)c(-c4nc(C)nc(N)n4)n3c2)ccn1 95552659 JLLAMEOULOFCQI-UHFFFAOYSA-N 398.434 2.914 0 1 GFAF O=C(NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)c1cccc(F)c1 95895672 QEOBOQKEIMETNU-FKBYEOEOSA-N 391.446 2.734 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnnc(O)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238192 BKBASZBGUXJPMC-JXBWDGJFSA-N 389.456 2.614 0 1 GFAF N=c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c[nH]1 587170643 SJDVIKKQPBOVFH-UHFFFAOYSA-N 383.408 2.977 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(COc1ccccc1OCC(=O)O)[C@@H](C2)C3=O 587444329 ZBJDPEUZTDVTOS-LHSJRXKWSA-N 384.384 2.744 0 1 GFAF CCOC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442484 YFGCYSPIZCFTOE-SZNDQCEHSA-N 378.384 2.778 0 1 GFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586960163 VVFISUZRBIIISS-AWEZNQCLSA-N 387.248 2.734 0 1 GFAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587259346 DDFGLXGKROVRPP-JTQLQIEISA-N 395.207 2.945 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@H]([C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)c3cccc1c32 963035188 WNFBQZIKTCEXSR-DPSPFGRKSA-N 383.492 2.894 0 1 GFAF N=C(N)c1ccc(CNC(=O)[C@H]2CCCC=C2C(=O)NCc2ccccc2)cc1 13493965 WIIRTJJDUYZVKS-FQEVSTJZSA-N 390.487 2.630 0 1 GFAF COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1ccccc1 203469015 FIVSESVSJCFBJS-WZONZLPQSA-N 396.487 2.933 0 3 GFAF COC(=O)Nc1nc2ccc(Oc3cccc(N4CCN(C)CC4)n3)cc2[nH]1 1857769659 YMYVHAGRAUBFAE-UHFFFAOYSA-N 382.424 2.680 0 1 GFAF C[C@@H]1C[C@@H](C)CN(C(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)C1 2467832 RITARYBFWINXKS-CHWSQXEVSA-N 377.872 2.628 0 1 GFAF O=C(CCc1cn(CCN2CCOCC2)c2ccccc12)Nc1ccncc1 28374963 IBSJATNSFVSFKJ-UHFFFAOYSA-N 378.476 2.940 0 1 GFAF Cc1ccc(NC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)c(C)c1 20901499 PKNDHXFDMLKZCK-HNNXBMFYSA-N 385.493 2.889 0 1 GFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@@H]13)[C@@H]2O 238757814 OIFIZUGEZGVEFS-LQMJGDINSA-N 384.476 2.582 0 1 GFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 95894054 BZFBZZPYDSRKLN-AABGKKOBSA-N 397.450 2.733 0 1 GFAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1 261115640 IQZGQZRIRWWXMX-VDGAXYAQSA-N 397.544 2.989 0 1 GFAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCc1ccccc1 299823195 SVFNNPBKOCDODT-UHFFFAOYSA-N 380.404 2.609 0 1 GFAF Cc1nc(=NC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)[nH]o1 587657108 VHPLSLBDIOAXOE-UHFFFAOYSA-N 383.314 2.535 0 1 GFAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587141859 DMIQUBMOQKDGQK-UHFFFAOYSA-N 388.193 2.918 0 1 GFAF COC(=O)[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587812306 YKGPDZNZIUNDRL-BHOZQUNFSA-N 384.245 2.860 0 1 GFAF CCOC(=O)[C@]1([C@H]2CCCC2=O)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962629396 HOWJOQADLZWFFT-YHQOMNDMSA-N 375.465 2.708 0 1 GFAF Cc1cc(C)cc(Oc2cc(Cl)nc(NCCn3ccc(O)nc3=O)n2)c1 1772612264 XQBMALBVEXAMIM-UHFFFAOYSA-N 387.827 2.914 0 1 GFAF NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1 13561071 NTALBUCSLDVCKL-UHFFFAOYSA-N 399.272 2.813 0 1 GFAF Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4c(=O)o3)nc2c(C)n1 205443616 IWZCMPUMVWMHLI-UHFFFAOYSA-N 375.432 2.529 0 1 GFAF O=C(O)c1c2c(nc3ccccc13)CCN(C[C@H](O)COc1ccccc1)C2 1502972 MLVOOMRDOXFWGB-HNNXBMFYSA-N 378.428 2.731 0 1 GFAF COc1cccc(-n2c(SCC(N)=O)nc3c(oc4ccccc43)c2=O)c1 6819917 YVQUGOKHKDBGQC-UHFFFAOYSA-N 381.413 2.718 0 1 GFAF CC(C)CSC[C@@H](N)[C@H](O)C(=O)NCCc1ccc(Cl)cc1Cl 27979927 XSBRWEMUDDAWIW-CABCVRRESA-N 379.353 2.730 0 1 GFAF CC(=O)O[C@H]1CC(C)=C(CCC2=CC(=O)OC2)[C@@]2(C)C[C@@H](O)C[C@](C)(CO)[C@H]12 238747507 SSHXEFFLUHQYJI-WROXGLCASA-N 392.492 2.678 0 1 GFAF O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 95893305 IGXMDRPGAHRYCD-SLFFLAALSA-N 395.434 2.943 0 1 GFAF O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F 95893505 DYVLAKDHBIPRBF-PCCBWWKXSA-N 394.446 2.942 0 1 GFAF CCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253917133 GILYTJDQDXXBEX-RYAAQBTLSA-N 381.472 2.616 0 1 GFAF CC(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@@H]21 36362344 ZQJOKHUICKYDOC-IYWMVGAKSA-N 398.415 2.698 0 1 GFAF biogenic CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)c(Cl)cc3[nH]2)cc1 586945714 AMZJLQINICQPBP-UHFFFAOYSA-N 379.869 2.918 0 1 GFAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(C(N)=O)c3[nH]2)cc1 587039736 IPIOHRKTYDMNSC-MRXNPFEDSA-N 396.472 2.948 0 1 GFAF CCOC(=O)[C@H]1CCc2ccncc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587436382 PQFYHEMLMPNKEB-MCFFVMPBSA-N 379.412 2.859 0 1 GFAF CCOC(=O)c1cc(C(=O)OCC)n(Cc2cc3c4c(cccc4n2)CC3)n1 587211352 PYRCLYZZRIXENJ-UHFFFAOYSA-N 379.416 2.932 0 1 GFAF O=S(=O)(NCc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc2c(c1)OCCO2 586940959 AGMMOQFRDARZNP-UHFFFAOYSA-N 397.815 2.605 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3[C@H]2CN[C@H]3C(=O)O)N1 587791068 FDVMAJMBLZMWCT-SAASJUEXSA-N 397.288 2.790 0 1 GFAF CCOC(=O)Cn1nc(C)c([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c1C 963577006 CCQBRLJKMAQJDL-GTJPDFRWSA-N 387.480 2.704 0 1 GFAF O=S(=O)(NCCCCCCNc1nsc2nccn12)c1ccccc1 13641256 DLEKJUIULJOQGD-UHFFFAOYSA-N 379.511 2.742 0 1 GFAF CN(C(=O)c1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(F)cc1 207186419 RQIBUEJFBWULLL-UHFFFAOYSA-N 389.390 2.911 0 1 GFAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@@H]2[C@H]1O 2356313684 SIMZXEAFDQBOMQ-GKSTVHGKSA-N 377.554 2.867 0 1 GFAF NCCNc1nc(N2CCCC2)c2nc(Cl)c(NCc3ccccc3)nc2n1 1661813 GSQNRAJKXMJSAD-UHFFFAOYSA-N 398.902 2.656 0 1 GFAF Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2ncnc(N3CCOCC3)c12 2500406 CGVVENRKVOIDHA-UHFFFAOYSA-N 398.444 2.817 0 1 GFAF Cc1ccc(CNC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)cc1 6868365 VFHMEYAEZOYSGN-UHFFFAOYSA-N 395.488 2.590 0 1 GFAF COC(=O)[C@@]1(C)C=C(Nc2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1 8689929 CQRHWBQWPNYNBX-OAQYLSRUSA-N 382.416 2.978 0 1 GFAF O=C1NC(=S)N/C1=C/c1cc2ccc(-c3ccc4c(c3)COC4=O)cc2[nH]1 101464034 FADDJNTXJJSSOR-CAOOACKPSA-N 375.409 2.851 0 1 GFAF CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC2(CC1)OCCO2 20465641 YFZUWNPRRUQSIY-UHFFFAOYSA-N 376.478 2.615 0 1 GFAF COc1cc([C@H](OC)[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 2356510743 KDVJSVPEOZSZGS-YQMDMEMYSA-N 390.432 2.799 0 1 GFAF CC(=O)Oc1ccccc1[C@H]1OC(c2ccc3c(c2)OCCO3)=NN1C(C)=O 73198938 UMYFLOFQVKNLJT-HXUWFJFHSA-N 382.372 2.622 0 1 GFAF Cn1ncnc1COc1nn2c(-c3ccoc3)nncc2c1-c1ccccc1F 34023155 LYZCPNJIFQNJQM-UHFFFAOYSA-N 391.366 2.898 0 1 GFAF O=CN(O)C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 40420742 SIXHKCFBCKWWOC-XLIONFOSSA-N 392.459 2.933 0 1 GFAF Cc1c2c(nn1C)CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2 143030411 DNNORDIFJWPEAB-UHFFFAOYSA-N 389.507 2.780 0 1 GFAF Cc1nc(N2CC(c3nc4c(C)cccc4n3C)C2)cc(-n2nc(C)nc2C)n1 143071905 QGQJBVKKPPTMLU-UHFFFAOYSA-N 388.479 2.781 0 1 GFAF COc1cc(O)c(Cc2c(O)cc(OC)c(OC)c2OC)c(OC)c1OC 231140400 BEYHHJNEZVRZTD-UHFFFAOYSA-N 380.393 2.740 0 1 GFAF COc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1 95571660 BEVDCYWWWBUMGK-UHFFFAOYSA-N 382.376 2.635 0 1 GFAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@]12C(=O)N(C)c1ccccc12 473146036 CGXDLMPLGQRQEB-HMFYCAOWSA-N 379.412 2.601 0 1 GFAF CS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c1 653808396 OKNVNKQJNMNNMY-UHFFFAOYSA-N 381.417 2.609 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(N5CCCC5)ccc41)[C@@H](C2)C3=O 587440541 BEIOAILRXHZPAQ-AOMKIAJQSA-N 376.412 2.890 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1[C@H](CC3)CN[C@H]1C(=O)O 586989646 NSCCMLXANLZYCS-RTNATMCPSA-N 386.407 2.854 0 1 GFAF N=c1[nH]ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 587155136 ARVXNRGXPJCEDK-UHFFFAOYSA-N 383.408 2.977 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1nc[nH]n1 587586493 CMTBEGBHZRUGGB-LAUBAEHRSA-N 386.367 2.811 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587158503 ZJYKSSMDHXHJRZ-UHFFFAOYSA-N 399.245 2.777 0 1 GFAF CCCC[C@@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963688854 XAMYPXOGAURQTO-ACRUOGEOSA-N 396.487 2.950 0 1 GFAF CNC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1 5834240 BOPMLFWOGKLFMW-LBPRGKRZSA-N 375.444 2.640 0 1 GFAF COC(=O)[C@H]1C[C@@H](C(=O)O)Nc2cc(Br)cc(Br)c21 13455168 VOCVRWBLHFNXGP-RCOVLWMOSA-N 393.031 2.737 0 1 GFAF Cc1cnc(NC(=O)C2=C(O)N(C)S(=O)(=O)c3ccc(Cl)cc32)s1 13605524 DWLFYKGHMSLWFR-UHFFFAOYSA-N 385.854 2.604 0 1 GFAF CCOC(=O)CCCNC(=O)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205708274 XZVOEKUOHSEEOT-RZQQEMMASA-N 380.485 2.770 0 3 GFAF COc1c(O)cc(O)c2c(=O)cc(-c3cccc(N4CCN(C)CC4)c3)oc12 1857617815 SVGIGZUVAUSNKL-UHFFFAOYSA-N 382.416 2.632 0 1 GFAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)nc1 1857752924 KDZJVDRFSFVKAP-IBGZPJMESA-N 378.432 2.695 0 1 GFAF O=c1c2cccnc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccc(F)cc1 6805118 ITULOCCUQSLTNV-UHFFFAOYSA-N 379.366 2.933 0 1 GFAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@H]2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 2356292250 FSZJBTPFNLNXMX-XSLAGTTESA-N 395.377 2.722 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@H](CN1CCN(Cc3ccccc3)CC1)C2 21288911 DNXZKFJJHLQENJ-IBGZPJMESA-N 380.488 2.877 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@]3(O)OC(=O)C(C)=C3[C@H](OC)[C@@]2(C)[C@H]1C 2356545828 PRSQOZKCWFGGER-LLIABOKJSA-N 376.449 2.818 0 1 GFAF CC(=O)Oc1cc2c(cc1C(CO)CO)CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 2356671985 RFZYDRDAPXBEPG-KSEOMHKRSA-N 390.476 2.775 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2F)n1 2356758975 WZGGVPPZVPMQCH-ONCXSQPRSA-N 387.499 2.603 0 1 GFAF COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=S)cc1 72184194 BBFMOMYMNDDVAB-DNVCBOLYSA-N 383.473 2.889 0 1 GFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cc(OC)cc(OC)c2)C1 36380744 QYPOBPVBTWUJQU-UHFFFAOYSA-N 390.509 2.761 0 1 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1CC[C@@H](O)C1 1911578845 RRLQWYCNAUBUTL-VHSXEESVSA-N 380.330 2.701 0 1 GFAF CCNc1nc(N2CCN(c3ccccn3)CC2)nc2cc(OC)c(OC)cc12 82132045 UULDVUAKTCVWCN-UHFFFAOYSA-N 394.479 2.800 0 1 GFAF Cc1cc(N2CCc3nnn(Cc4ccc5ncccc5c4)c3C2=O)sn1 84652604 DIENJHWZNHLZFW-UHFFFAOYSA-N 376.445 2.842 0 1 GFAF O=C1c2ccccc2C(=O)N1C[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 95784682 MBXCEKNWSNCWOZ-GOSISDBHSA-N 394.471 2.566 0 1 GFAF CC(=O)N1[C@H](CN(C(=O)c2ccccc2)C(C)C)[C@H](c2ccccc2)[C@@H]1CO 95895344 XRUWEPTYFYYESG-FSSWDIPSSA-N 380.488 2.913 0 1 GFAF COc1ccc(C[C@H]2CCc3cnnn3COC[C@H](CC(C)C)NC2=O)cc1 95898367 ICBLCJRQBGPVQK-MSOLQXFVSA-N 386.496 2.597 0 1 GFAF Cc1cnc(C(=O)Cc2ccc(N(C)C)c([C@]3(C)CCSC(N)=N3)c2)cn1 96173833 GSVNVNBZGMTTJU-FQEVSTJZSA-N 383.521 2.943 0 1 GFAF NNc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587656732 LOOQCYZXHMEXQV-UHFFFAOYSA-N 393.353 2.711 0 1 GFAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cnc(Cl)[nH]c-4n3)n2)cc1 587113955 XOZZZUQKWCFJNC-UHFFFAOYSA-N 380.721 2.679 0 1 GFAF COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587650718 RUUMMLKITBYJNX-UHFFFAOYSA-N 386.429 2.919 0 1 GFAF COc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Cl 586957615 CSEPCLFQFVEWSC-INIZCTEOSA-N 381.841 2.694 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1 587251228 CTHIWLSTABQOAH-UHFFFAOYSA-N 388.449 2.589 0 1 GFAF N=c1nc(O)c2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2[nH]1 587165998 KRJLUWSQZDBNQZ-UHFFFAOYSA-N 381.396 2.577 0 1 GFAF O=C(O)c1ccc2c(c1)[C@]1(CCC2)c2c3c(cc4c2OCCO4)CC(=O)N1CC3 963271918 XKCUWPHMNGGHPS-HSZRJFAPSA-N 391.423 2.677 0 1 GFAF COc1cc([C@]2(C(=O)O)NCCc3cc(C)c(F)cc32)cc(OC)c1OC 962091384 KJJCAGANHHPMNH-FQEVSTJZSA-N 375.396 2.634 0 1 GFAF COc1ccc([C@]2(CC(=O)C(F)(F)Cl)c3nn(C)cc3CCN2C)cc1 963953986 FHNJMRNPKNORDO-QGZVFWFLSA-N 383.826 2.951 0 1 GFAF CCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344419 BPECEJDPRFPPQD-XTFGJOLRSA-N 395.499 2.919 0 1 GFAF Cc1ccc2c(c1)cc([C@H]1CC(c3ccccc3)=NN1C(N)=S)c1nnnn12 1857565556 GKQXPTVZTLJPBX-GOSISDBHSA-N 387.472 2.981 0 1 GFAF Cn1nccc1-c1coc(C(=O)N[C@@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1 1857610861 ISDJUNKHWDUIRU-RHSMWYFYSA-N 386.402 2.834 0 1 GFAF OC[C@@H]1[C@H](O)C[C@@H](NCc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 2356324197 HVCGTDMXMKDEAB-IYWMVGAKSA-N 387.911 2.698 0 1 GFAF Cc1nc2nc(N3CCOCC3)nn2c(-c2ccc(Cl)cc2Cl)c1CN 58506391 DWJDAXMTVQEVLG-UHFFFAOYSA-N 393.278 2.702 0 1 GFAF CCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 27557841 CSGGJCDNCPZCND-QXAKKESOSA-N 384.432 2.640 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1 101394370 XOHZZDFJOIMTMY-JRULLXGZSA-N 378.350 2.627 0 1 GFAF CC(=O)OC[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29414661 MVWNKMDSLAYMKY-HLVPYZJISA-N 381.856 2.819 0 1 GFAF COc1c(N2C[C@H](C)O[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 29123140 LAKKYQZZALPWFA-QWRGUYRKSA-N 390.411 2.796 0 1 GFAF COc1ccc2c(c1)[C@@H]1C(=CCn3c(=O)n(-c4ccccc4)c(=O)n31)C(C)(C)O2 72141058 RFMRLVPKDQCEAF-LJQANCHMSA-N 391.427 2.510 0 1 GFAF CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82224383 NUHIMQXNXRUQTR-GOSISDBHSA-N 392.459 2.753 0 1 GFAF CC(=O)N1CCN(c2ncc(C(=O)N(C)CC(C)C)c(-c3ccccc3)n2)CC1 82214691 MQXNFKPNVRJBRO-UHFFFAOYSA-N 395.507 2.540 0 1 GFAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC[C@H](CO)C1 143330050 YVTKRVLITNHGEM-BUXKBTBVSA-N 377.362 2.920 0 1 GFAF CC1=C2C[C@H](O)[C@@H]3[C@H](CC/C(=C\C(=O)OCCN(C)C)[C@@H]3C)[C@@]2(C)CC[C@@H]1O 238752411 IACCOBWNMQUOBF-WDASAMDLSA-N 391.552 2.922 0 1 GFAF COC(=O)CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587581467 LHOZRMAXVQCQKQ-NQIIRXRSSA-N 394.383 2.855 0 1 GFAF CNS(=O)(=O)c1cc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)n(C)c1 586946538 ACCJJQVJPOBTQR-UHFFFAOYSA-N 376.335 2.634 0 1 GFAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C(F)(F)C1 587132500 RFOSALFSQUNRRX-LLVKDONJSA-N 391.382 2.508 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCN(CCO)CC3)cc1)O2 587398365 FMCKMKWRJYSYFT-QHCPKHFHSA-N 395.503 2.572 0 1 GFAF CC(=O)NC1(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CCC(C)CC1 587233759 CKNDYEYUNJQJRC-UHFFFAOYSA-N 381.480 2.860 0 1 GFAF COc1cc2c(cc1OC)[C@@](CC(=O)C(F)F)(c1cnn(C)c1)N(C)[C@H](C)C2 962637293 ZEFTYAIEDHIRRP-MPBGBICISA-N 393.434 2.782 0 1 GFAF CN1CCN(C(=O)CNc2nc(Nc3ccc(F)cc3)nc3ccccc23)CC1 1772598583 OTOPLOAVHXBOKI-UHFFFAOYSA-N 394.454 2.698 0 1 GFAF Cc1cc(C)cc(Oc2cc(NCCn3ccc(O)nc3=O)nc(Cl)n2)c1 1772584516 RHNWCYCKGKIECU-UHFFFAOYSA-N 387.827 2.914 0 1 GFAF COCCN(CCOC)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165709836 KPJUJCDPZSDNGU-UHFFFAOYSA-N 397.475 2.969 0 1 GFAF O=C(NC[C@H]1CCCOC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166660185 SGQLQPJPPTVIHP-OAHLLOKOSA-N 380.448 2.786 0 1 GFAF CC(C)[C@H]1CN[C@H](C)CN1CC(=O)N1CCc2ccc(Br)cc21 205471944 IWSITJSGTRUVTC-CXAGYDPISA-N 380.330 2.657 0 1 GFAF CC(C)c1cc2cccc(C(=O)NCC3[C@@H]4CN(CC5CCOCC5)C[C@@H]34)n2n1 1857639208 BNLJBDBAFDHHJK-PMACEKPBSA-N 396.535 2.792 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@](C)(C(=O)O)[C@H](O)CC[C@]13C 2356324263 IENPACSJMLTPMG-SOLLQHPWSA-N 394.508 2.749 0 1 GFAF CCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccnc1 4733531 WANQJNGGFTWHKP-VQTJNVASSA-N 397.475 2.926 0 1 GFAF O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 28376854 ITIXNUZFXYCYOE-UXRIAZJMSA-N 390.476 2.950 0 1 GFAF CC1CCC(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(=O)O)CC1 27762408 MDQVFBMBEYUYPQ-VHZYLWGESA-N 386.492 2.963 0 1 GFAF CC(=O)Nc1n[nH]c2c1[C@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 102013313 RBCQNTRBKVPZQE-IUODEOHRSA-N 394.884 2.862 0 1 GFAF COc1ccc2nc(C[C@@H]3CN(C4CCOCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356303400 TXSMETWKTDDGMS-HUUCEWRRSA-N 387.480 2.706 0 1 GFAF CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ncc(F)cc3F)CC2)[C@H]1O 20235213 KNEJMFSGZBSWQZ-MOPGFXCFSA-N 387.430 2.511 0 1 GFAF Cc1nsc2c1nc(SCc1ccccc1)n2[C@H]1C[C@H](O)[C@@H](CO)O1 27873896 CAANFGIZNJMQPE-BFHYXJOUSA-N 377.491 2.734 0 1 GFAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(Cl)cc3)C[C@H](O)[C@H]2CO)n1 2356621336 XHQKOTDZMACBQD-HAGHYFMRSA-N 389.927 2.944 0 1 GFAF Cn1ccnc1CN1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@H]1c1ccccc1 2356726045 QFWLLFMMQVVXQV-XPNTWCBSSA-N 396.535 2.793 0 1 GFAF Cc1nn(Cc2ccc(F)cc2)c(=O)c2c(O)c3n(c12)[C@@H](C)CN(C(C)C)C3=O 35901200 QSHFMGSVPTVYIA-LBPRGKRZSA-N 398.438 2.825 0 1 GFAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NS(N)(=O)=O)CC[C@@H]12 49071766 FTOCXJQZFPPQAR-SSGANFLRSA-N 378.538 2.972 0 1 GFAF CC[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82207633 PKYUCHBBOCQAAP-MRXNPFEDSA-N 384.411 2.607 0 1 GFAF Cc1cc(Br)cc2c1oc1c(O)nc(CN3CC[C@H](O)C3)nc12 84654390 FDNXNRKRVIHOKQ-JTQLQIEISA-N 378.226 2.719 0 1 GFAF O=C(c1ccccc1F)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CC1 95793929 QHMZMKOJUGPHNS-SFTDATJTSA-N 380.463 2.891 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC4)n3)C2)cc1 261143956 NOCKJGMOPOTOCO-HNAYVOBHSA-N 381.480 2.542 0 1 GFAF CCOC(=O)CCC1(CCC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439462 AZEFQSGWFYZOCU-OAHLLOKOSA-N 390.432 2.868 0 1 GFAF O=C1COc2cc3[nH]c([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)nc3cc2N1 587149162 MENZXMLNCYKKNR-LLVKDONJSA-N 398.369 2.688 0 1 GFAF CC1=C[C@@]2(CC(=O)N1CC(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 587761441 UIFMFVYHFNOHKT-XLFHBGCDSA-N 397.244 2.538 0 1 GFAF O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C2CC2)cn1)c1ccccc1-n1nccn1 1772619534 WDKJBDYAMCBXSL-IRXDYDNUSA-N 389.463 2.698 0 1 GFAF CC(=O)c1c(-c2ccccc2)nn(CC(=O)O)c(=O)c1NCc1ccccc1 13797661 GRFGQRAHQRGNER-UHFFFAOYSA-N 377.400 2.810 0 1 GFAF CN1CC[C@H](c2c(O)cc(O)c3c(O)c/c(=N\c4ccccc4)oc23)[C@@H](O)C1 14945077 BAKDMSIYUPKGBK-LDEHOQLSSA-N 382.416 2.562 0 1 GFAF COC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169309872 WMTBKKBQNKWDRP-QLDGJZPUSA-N 396.418 2.516 0 1 GFAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)NCCO)CC[C@@H]4[C@@H]3CC[C@@H]12 169321561 RYYSYRHPOPBMEU-XETSRNHHSA-N 376.541 2.575 0 1 GFAF Cc1nc(C2CCOCC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12 169711651 LWTJSNAZZKYABX-UHFFFAOYSA-N 395.511 2.746 0 1 GFAF CCn1c2c(c(=O)n(Cc3cccc(F)c3)c1=O)CN(Cc1ccccc1)CC2 1857547564 GGLIJQQSAPFTPP-UHFFFAOYSA-N 393.462 2.776 0 1 GFAF CC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)C(C)C 1330965 RXUVHLXQOWOGBD-UHFFFAOYSA-N 387.871 2.881 0 3 GFAF CCNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NCC)cc3)CC2)cc1 28972368 PSTGSVURELLRSO-UHFFFAOYSA-N 378.524 2.883 0 1 GFAF O=C(NCc1ccc2ccccc2n1)c1ccc(OCCCc2nnn[nH]2)cc1 28220507 WBBRXSJYQKJDLO-UHFFFAOYSA-N 388.431 2.690 0 1 GFAF CCC=C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 2356497731 XNUWGEPKIOWLHQ-OHMGMYBTSA-N 385.460 2.866 0 1 GFAF O=C1CO[C@@H]2CN(Cc3cccnc3)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 2356756042 OMCSVPNOTSZQOU-QZTJIDSGSA-N 391.393 2.712 0 1 GFAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](OCC(F)(F)F)CC1 35272170 JLXRCUNAZLLGTO-ZDUSSCGKSA-N 392.765 2.997 0 1 GFAF COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2ccc(O)c(O)c2)cc(OC)c1OC 14646700 CKKVZMACENBCGR-HUUCEWRRSA-N 388.416 2.698 0 1 GFAF biogenic COCc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCOCC4)c3c2)c1 1911581185 JWQMLWIDIFDPFG-UHFFFAOYSA-N 380.448 2.928 0 1 GFAF CCC1(CC)CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1=O 72123291 LCTJGGVHPNFWGV-UHFFFAOYSA-N 391.899 2.554 0 1 GFAF CN1CCN(c2ccc3[nH]c(-c4c(N)c5cc(F)ccc5[nH]c4=O)nc3c2)CC1 40975626 YCNDQMGBKRXDNQ-UHFFFAOYSA-N 392.438 2.545 0 1 GFAF C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccccc1N 82083132 UIRCBPZJAFDZOD-ZDUSSCGKSA-N 395.488 2.904 0 1 GFAF c1cn(C[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cn1 199424120 IWXSMKCGCBIGOG-QGZVFWFLSA-N 378.480 2.580 0 1 GFAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)cc1 40900614 XORBSHHBIHHDFM-UHFFFAOYSA-N 390.486 2.918 0 1 GFAF C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CC1CCCCC1 95570479 QLOJYVFZQPKURH-NRFANRHFSA-N 397.479 2.851 0 3 GFAF COC(=O)C1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144717189 YYOJCMIERYIBFL-IBGZPJMESA-N 391.345 2.710 0 1 GFAF O=C(c1nc2ccccc2[nH]1)N1CC(Oc2ncccc2C2=CCOCC2)C1 96168888 OUJZUWWYCTWMFP-UHFFFAOYSA-N 376.416 2.665 0 1 GFAF O=C(Cc1ccccc1Br)Oc1ccc2c(c1)OS(=O)(=O)CC2 96914373 MZEPASVDHPQJEN-UHFFFAOYSA-N 397.246 2.862 0 1 GFAF CC[C@@H]1C(=O)OCc2c1c(C(=O)OC)c1n(c2=O)C[C@@H]2Cc3ccccc3C[C@H]12 253795097 ZBPGREPSDSAIEH-JYJNAYRXSA-N 393.439 2.698 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)NC)c1)CC2=O 587482603 DBTRWGQIOFJQSO-GOSISDBHSA-N 375.446 2.959 0 1 GFAF O=C1c2ccc(O)cc2O[C@@]2(CN=CNc3[nH]cnc32)[C@H]1c1ccc(F)cc1 587346305 LVSZIJPTZFSPTR-JXFKEZNVSA-N 378.363 2.963 0 1 GFAF Cc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br 587651287 PUBFOBUWBNULRI-UHFFFAOYSA-N 395.644 2.966 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(Cl)c3[nH]2)[C@@H](C)O)cc1 586940054 ZQUIBSWRVNSSOE-MEBBXXQBSA-N 395.868 2.625 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(S(C)(=O)=O)cc1)CC2=O 587487498 OFZLYIBBPYHTQQ-HXUWFJFHSA-N 390.457 2.601 0 1 GFAF COc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)nc1Br 963016053 BXUQBKOEPURPGP-DYZYQPBXSA-N 388.265 2.995 0 1 GFAF COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)nc2)c(OC)c1 1772600360 ADPJLUFVSWLEDG-BQYQJAHWSA-N 380.422 2.529 0 1 GFAF COC(=O)c1c[nH]c2cc(CN3CCN(c4ccccc4)CC3)c(C)cc2c1=O 1772578246 GMCJARFVOZIDHY-UHFFFAOYSA-N 391.471 2.945 0 1 GFAF CCCC[C@H]1CCCO[C@@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C1 13829023 JIXFIOWXFQYZDW-RDJZCZTQSA-N 380.451 2.743 0 1 GFAF CCOC(=O)COc1cc(N2C(=O)[C@@H]3CCCC[C@H]3[C@@H]2O)c(F)cc1Cl 169305732 ZZZSTYODQFTTEL-AGKHESDQSA-N 385.819 2.892 0 1 GFAF Cc1cccc(C(=O)N[C@]23CCC[C@@](C(=O)Nc4ccnc(C)n4)(CC2)C3)n1 169710870 ICLSGXPHOMUHDE-NHCUHLMSSA-N 379.464 2.950 0 1 GFAF NCCCCCNCc1ccc(CNC(=O)c2csc3ncnc(O)c23)cc1 1857533971 DNTPIQKBAXPGIZ-UHFFFAOYSA-N 399.520 2.546 0 1 GFAF CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1nc(-c2ccccc2)no1 1857583036 SZLPHQQUWUARAS-UHFFFAOYSA-N 376.372 2.815 0 1 GFAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CNOCCN)CC[C@]12O 3824526 PJISMJYBKQJNMY-OBVYMBRASA-N 380.573 2.601 0 1 GFAF COc1cc(S(C)(=O)=O)ccc1-c1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3 29254536 AIZDWHAUMFEKHT-UHFFFAOYSA-N 385.445 2.872 0 1 GFAF COC(=O)[C@H](Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)O 27105016 PUTUUAYFZXHMSI-LJQANCHMSA-N 399.443 2.919 0 1 GFAF O=S(=O)(N[C@H]1[C@H]2CC[C@]1(O)Cc1ccccc1C2)c1ccc(Cl)s1 29128954 LRKSZTJQEVWHDS-ZLIFDBKOSA-N 383.922 2.988 0 1 GFAF C[C@]1(CO)CCC[C@]2(C)C3=C(C[C@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3 2356717228 KPUHAJPJYZHSQY-MOXQZVSFSA-N 386.444 2.980 0 1 GFAF Cc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12 210671388 KKAGVWDOTJPUKI-UHFFFAOYSA-N 380.283 2.858 0 1 GFAF COc1c2c(cc3c1-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC3)OCO2 5160415 DCYAJVOKJAFSES-OAHLLOKOSA-N 383.400 2.583 0 1 GFAF biogenic CCCCCN1C(=O)[C@@](C(=O)NC)(c2ccc3c(c2)OCO3)c2ccccc21 71340854 IFWCXKQBEIDOHQ-QFIPXVFZSA-N 380.444 2.984 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2F)n1 82160046 XEKXLIHGTZDLHA-UHFFFAOYSA-N 399.470 2.703 0 1 GFAF COc1cccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@@H](C)CN3)c1 82210816 PCFFERIHADEPSG-HNNXBMFYSA-N 392.459 2.666 0 1 GFAF Cc1ccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccs4)C[C@@]34C=C[C@H]2O4)cc1 226569500 HSUDKTFLDVWKLH-YXTQBTIXSA-N 394.496 2.655 0 1 GFAF O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(CCC3CC3)ccc1-2 142968929 CGLMQSKTQZSXCH-GOSISDBHSA-N 382.460 2.603 0 1 GFAF CN(CC(=O)N1CCOCC1)C[C@@H](O)c1c(-c2ccccc2)[nH]c2ccccc12 473155150 PLHGVPZUBUWRMO-HXUWFJFHSA-N 393.487 2.659 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(CS(=O)(=O)O)C4(C)C)[C@@H](C2)C3=O 587451469 YEJDXYDUWAXDHP-QTRFMYMGSA-N 392.473 2.896 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)O2 587396672 VOSWFNJVLYWCTL-XCLFUZPHSA-N 390.436 2.623 0 1 GFAF Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1NCCc2c1sc(C)c2C 963012306 QCSAERLDEPDKGY-PBHICJAKSA-N 379.551 2.773 0 1 GFAF C[C@@]1(c2ccccc2S(C)(=O)=O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962716343 UGQHQJLESFGFPK-MAUKXSAKSA-N 397.418 2.999 0 1 GFAF CC(C)[C@]1(c2nccn2C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638028 RSEFGRFWLWKNFA-SJCJKPOMSA-N 383.370 2.817 0 1 GFAF Nc1ncc(-c2nc(C3(c4ccccc4)CC3)n[nH]2)nc1-n1nnc2ccccc21 1772644318 JZHMIGXHVXMYEX-UHFFFAOYSA-N 395.430 2.658 0 1 GFAF N[C@@H](CC[P@](=O)(Oc1ccccc1)Oc1cccc(CC(=O)O)c1)C(=O)O 1772649083 QVSLIJZSAPYYGQ-OQRWROFFSA-N 393.332 2.767 0 1 GFAF C/C=C(\C)C(=O)NCCN1C2=NC[C@H](C(C)C)N2C[C@@H]1Cc1ccc(OC)cc1 13545681 RVOXXQTVPXACME-VTINUIGFSA-N 398.551 2.701 0 3 GFAF CC(C)CCNS(=O)(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167809179 OKPQQOVWHLHPDJ-UHFFFAOYSA-N 388.493 2.954 0 1 GFAF COc1cc2c(cc1OC)CN1[C@@H](C2)c2cc3c(cc2C[C@@H]1C(=O)O)OCO3 1857568441 VIZBTLYHJHIQTH-JKSUJKDBSA-N 383.400 2.541 0 1 GFAF Cc1csc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)n1 3814635 NCQAPPLITRJWMF-UHFFFAOYSA-N 388.396 2.970 0 1 GFAF CC(C)C[C@@H]1NC(=O)C(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)=C1O 100603590 XSCRLRPPLAGOLB-LBPRGKRZSA-N 377.384 2.934 0 1 GFAF COC(=O)c1nc(Cl)c(NC2CCN(Cc3ccccc3)CC2)nc1N 27524848 YJZYGFWMJTVYSS-UHFFFAOYSA-N 375.860 2.575 0 1 GFAF N[C@]12CC[C@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 29129000 JARIXOMLQISROZ-OAUYIBNBSA-N 382.938 2.955 0 1 GFAF N[C@H](COc1cncc(C2=NCC3=NN=CC3=C2)c1)CC1=C2C=CCC=C2N=C1 38612245 CCIACUJJBPSOHE-KRWDZBQOSA-N 384.443 2.572 0 1 GFAF in-vivo COc1ccc(-n2nc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)ccc2=O)cc1 35482855 YODCZIRUYBOXHB-MRXNPFEDSA-N 396.491 2.516 0 1 GFAF c1nc(NCCN2CCOCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 33362329 WCSKSSNIVMDLSF-UHFFFAOYSA-N 378.432 2.770 0 1 GFAF NC[C@@H](c1ccccc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1 219315520 DIAQYSLZMGCMGJ-IBGZPJMESA-N 392.482 2.687 0 1 GFAF COc1ccc2nc(Nc3nc(=O)c4ccc(NC(C)=O)cc4[nH]3)nc(C)c2c1 40408627 KFZHCTFWEJGAOM-UHFFFAOYSA-N 390.403 2.885 0 1 GFAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@H](CO)N2C(C)=O 95661848 ZOUIPPRUOXASKT-RBBKRZOGSA-N 378.472 2.651 0 1 GFAF C/C1=C/C(=O)O[C@@H](C[C@H](O)[C@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C\CC1 238745944 JDROCHDFKUSVDQ-XJIFEEKUSA-N 397.537 2.938 0 1 GFAF COc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602187 XECXUFNSIKVEMW-GCJKJVERSA-N 394.379 2.569 0 1 GFAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnc(Cl)[nH]c-2n1 586946103 RCDYDGDKOHBHCN-UHFFFAOYSA-N 395.853 2.758 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017524 MRDRIQTYIJEVJQ-UHFFFAOYSA-N 398.469 2.936 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587791946 NGTZKSSOLUQIQR-MADCSZMMSA-N 398.232 2.817 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(Cl)c3[nH]2)[C@H](C)O)cc1 586940055 ZQUIBSWRVNSSOE-ZUZCIYMTSA-N 395.868 2.625 0 1 GFAF Cc1cc(C)n(-c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)n1 169336388 OGZAQJJOYCELAB-UHFFFAOYSA-N 376.482 2.810 0 1 GFAF C=CS(=O)(=O)Nc1cccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c1 1857609818 JROUCIZKFXDSOH-UHFFFAOYSA-N 397.464 2.871 0 1 GFAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cn3ccnc3)ns2)n1 205134969 JHALDORIYLXTKG-UHFFFAOYSA-N 377.437 2.873 0 1 GFAF C[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 3591366 PNJPCIYMKXINDN-AWEZNQCLSA-N 393.418 2.863 0 1 GFAF COc1ccc([C@H]2[C@H](C(=O)NC[C@@H]3CCCO3)c3ccccc3C(=O)N2C)cc1 4572193 FJZUFNPBIMYVTE-WMQCIHAUSA-N 394.471 2.901 0 1 GFAF O=c1[nH][nH]c2nc(CN3CCCN(Cc4ccccc4)CC3)nc3cccc1c32 59275778 GEFLAESXESXCEG-UHFFFAOYSA-N 388.475 2.507 0 1 GFAF CC(=O)OC[C@]1(C)C2=CC[C@@H]3C[C@](C)([C@H](O)CO)CC[C@]3(C)[C@@H]2CC[C@@H]1O 2356391467 WTYBTRGTZZAJCG-BTXIBLIVSA-N 380.525 2.823 0 1 GFAF CCN(CC)CCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccn1 110663127 XEQTUEZWFDHATI-PMACEKPBSA-N 393.487 2.765 0 1 GFAF CCOC(=O)C1CCN(c2c(N[C@@H]3CCCc4ccccc43)c(=O)c2=O)CC1 20330993 VUNCBPWBGIKWBS-QGZVFWFLSA-N 382.460 2.552 0 3 GFAF CC1(C)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)[C@@](C)(O)CC[C@@H]1O 2356769838 PEZKHODDJHYPEQ-FVJLSDCUSA-N 388.416 2.988 0 1 GFAF C1=CC(c2noc([C@@H]3CCCN3Cc3ccccc3)n2)=C[C](N2CCOCC2)N1 2356868003 IKQGALSGVNMQAT-IBGZPJMESA-N 392.483 2.729 0 1 GFAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cc1 35983496 IKRNUIDHOVUXLH-UHFFFAOYSA-N 393.442 2.679 0 1 GFAF NC1=N[C@@](c2cccc(-c3cccnc3)c2)(C2CC2)C(=O)N1C1CCOCC1 218748413 AUMCPLQPYBUECX-JOCHJYFZSA-N 376.460 2.690 0 1 GFAF Cc1noc2cnn(CCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c12 35080213 ITZUTUDQZYWNEV-UHFFFAOYSA-N 387.871 2.559 0 1 GFAF COc1cc2ccc(=O)oc2c(-c2c(O)c(OC)cc3ccc(=O)oc23)c1O 14725644 RMRIJFYDXHIGID-UHFFFAOYSA-N 382.324 2.995 0 1 GFAF biogenic Nn1c(CS(=O)(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1Cl 40897062 JKWSPOJMHJPBNF-UHFFFAOYSA-N 383.260 2.940 0 1 GFAF CN1CCC[C@H]1COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085534 BFFFBEMIXDPBGC-ZFWWWQNUSA-N 389.477 2.645 0 1 GFAF Oc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(C4CCNCC4)c3n2)c1 49124709 AXBOUXRBOUYXCZ-UHFFFAOYSA-N 379.464 2.634 0 1 GFAF COC(=O)C(=C(/C)c1cc(OC)cc(OC)c1)/C(=C\c1ccncc1)C(N)=O 40891720 SETIAWBZHWUAKY-STCKJWNKSA-N 382.416 2.614 0 1 GFAF C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCc1ccccc1N 82070427 LPPCSOWXHZSZDN-ZDUSSCGKSA-N 380.473 2.827 0 1 GFAF CC(C)CN1C(=O)c2ccccc2[C@@H]1c1nnnn1-c1ccc2c(c1)OCCO2 95569273 XUAVTPZRLREHTI-LJQANCHMSA-N 391.431 2.635 0 3 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)C1CC1 95895043 JPCTYBULYRPUFB-BDTNDASRSA-N 378.472 2.555 0 1 GFAF CCC(=O)N1[C@H](CN(C)C(=O)c2ccccc2F)[C@@H](c2ccccc2)[C@@H]1CO 95894831 JELGKZCIOQUBDC-SVFBPWRDSA-N 384.451 2.663 0 1 GFAF Cc1cc2cc(NC(=O)C[C@@H]3C(=O)N[C@H](c4ccccn4)N[C@H]3C)ccc2[nH]1 618013611 WHVIEQPOIMYGKR-ZSOFBXJNSA-N 377.448 2.623 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3c(Br)ccnc3[nH]2)CC1 586953412 UBLRAGXBCAKWBY-UHFFFAOYSA-N 387.303 2.719 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588505 KWQKFLRQYADXFI-UGSOOPFHSA-N 396.355 2.701 0 1 GFAF Cc1csc([C@@](O)(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)C(F)(F)F)n1 587094224 NKVYGMLRUIOUGR-HNNXBMFYSA-N 398.366 2.651 0 1 GFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCC(=O)N3CCc4cccc2c43)N1 963238717 WFDAGUIDLRWYTN-GBXCKJPGSA-N 399.450 2.760 0 1 GFAF COC(=O)c1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1OC 963232577 OPSFCCXYKWZNDJ-MOPGFXCFSA-N 392.411 2.718 0 1 GFAF CC(C)CN1C(=O)[C@@]2(NC[C@H]3CC(=O)N(C)c4cccc2c43)c2ccccc21 963021511 HPUQVXDQTMKOQK-IQMFZBJNSA-N 375.472 2.986 0 1 GFAF O[C@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC[C@H]1F 1772642300 GXVPBDZWUHCKCZ-BEFAXECRSA-N 390.422 2.991 0 1 GFAF CCCCCC[C@H](C(=O)O)n1cnc(NC(=O)c2ccccc2-c2nn[nH]n2)c1 11687638 KWLRCNYKVQIFPO-OAHLLOKOSA-N 397.439 2.912 0 1 GFAF C[C@H](N[C@@H](c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1 13440520 FBOPVIWMYMFESR-DYZYQPBXSA-N 375.321 2.568 0 1 GFAF CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NCC3)CC1 13819779 KSOGNGIHTPDLGM-GOSISDBHSA-N 377.554 2.930 0 1 GFAF CNC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)c1 13820147 RTRBVEMNVFXHFI-UHFFFAOYSA-N 385.423 2.560 0 1 GFAF CCOC(=O)C[C@H]1CCc2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc2C1=O 13914798 OHMTXUSDWJYTHD-MRXNPFEDSA-N 393.443 2.921 0 1 GFAF COc1ccc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)C(=O)c2ccco2)cc1 169687537 RCPCFGLABKSTLI-GTYSZEQSSA-N 392.411 2.700 0 1 GFAF CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(N)CCNCC3)ccc12 167524313 RZTBRKFFQBZBGF-UHFFFAOYSA-N 381.505 2.767 0 1 GFAF CC(C)(C)CN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@H]1COCCN12 2356325008 VNSAMIKJUXNOGJ-SFHVURJKSA-N 391.943 2.597 0 1 GFAF CC(=C[C@H](C)C[C@H](C)c1ccc(C)cc1C=CCO)C(=O)N[C@@H](CO)C(=O)O 2356365590 OLHMPWBLHDQGDT-GUXCAODWSA-N 389.492 2.638 0 1 GFAF CCN(CC)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 26977943 MMYMZKBXMZBLCX-UHFFFAOYSA-N 378.230 2.816 0 1 GFAF CCOC(=O)c1cccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)c1 64559391 JPUYPWPBMDSISN-UHFFFAOYSA-N 387.346 2.747 0 1 GFAF CC(C)S(=O)(=O)N1CCC[C@@H](c2cc(C(=O)NCc3ccccc3)no2)C1 61908394 LHIPDOKHOBZGCJ-MRXNPFEDSA-N 391.493 2.522 0 3 GFAF CC[C@@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(CC(=O)O)cc1 27630589 FSGZUUBFTYAIOW-YLJYHZDGSA-N 382.416 2.797 0 1 GFAF COC[C@@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1 117868814 LHJVYPGFMRAXGK-HNNXBMFYSA-N 397.504 2.755 0 1 GFAF COC(=O)C=Cc1ccc(OC(=O)C[C@@H](C)OC(C)=O)c(C=CC(C)(C)O)c1 2356682339 JOCMICFBSDGOAQ-CQSZACIVSA-N 390.432 2.904 0 1 GFAF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccccc2)CC1 28770659 KEIBPZLRGULPRB-UHFFFAOYSA-N 381.407 2.580 0 1 GFAF CCC(=O)[C@@H]1C[C@@]2(CO)[C@H]3CCC4=C5[C@@H](CC4)[C@H](C(=O)OC)C[C@]52CN(C)[C@@H]13 2356819202 FAAGNWHRMPLKSR-CCOGTBJESA-N 387.520 2.574 0 1 GFAF FC(F)(F)Oc1ccc(CNc2cc(NCCN3CCOCC3)ncn2)cc1 64549494 KDTIQBYCIJNNED-UHFFFAOYSA-N 397.401 2.731 0 1 GFAF O=c1[nH]c2ncc(-c3ccc(-c4ncc[nH]4)cc3)nc2n1CC1CCOCC1 73198467 VLUCNOXWTUFPBV-UHFFFAOYSA-N 376.420 2.603 0 1 GFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@H]3c3ccc(F)cc3)cc2N1 82149485 LTLHQZAJZVFPBB-KRWDZBQOSA-N 381.392 2.848 0 1 GFAF NCCC(=O)Nc1cccc2c1cnn2S(=O)(=O)c1cccc2ccccc12 40939018 FGFHKVYAKOQWLG-UHFFFAOYSA-N 394.456 2.714 0 1 GFAF COC(=O)[C@@]1(C)CCC[C@@H]2[C@H]1C[C@@H]1OC(=O)[C@]23C[C@@H](c2ccoc2)OC(=O)[C@H]13 84154674 ZGRXZVQQLDOVAT-UYJTXGADSA-N 388.416 2.795 0 1 GFAF biogenic,in-vitro COc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCNC(C)=O)cc1 82177794 RRTQBWPTBAWYIC-UHFFFAOYSA-N 382.468 2.706 0 1 GFAF O=c1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)n1CC1CCNCC1 95559278 CPSHQPFDMBTDCP-UHFFFAOYSA-N 383.879 2.865 0 1 GFAF O=C(NC1CCCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 95601005 SOUPNWPTISJPBV-OAQYLSRUSA-N 379.460 2.993 0 3 GFAF COc1nccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586954058 ZZHMQCZGGQBGFK-UHFFFAOYSA-N 387.446 2.891 0 1 GFAF CCc1ccc2nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c2c1 586938874 ZBEGINSVQDZORZ-KPZWWZAWSA-N 389.477 2.534 0 1 GFAF COC(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1OC 587041779 GDFOLIBOZPQXTO-GFCCVEGCSA-N 377.466 2.978 0 1 GFAF Cc1nn(C)c(C)c1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587754175 DBWYEMTZDJDFMI-CQLKUDPESA-N 396.260 2.801 0 1 GFAF COC(=O)C[C@@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775301 QOIFBTKVIAYHQY-BMLIUANNSA-N 394.244 2.719 0 1 GFAF Cc1c(O)ccc2c1[C@H](c1cc(-c3ccc4c(c3)OCO4)no1)N[C@H](C(=O)O)C2 963528424 SGRARNSSBOYOGT-XOBRGWDASA-N 394.383 2.773 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 14782160 BMPRGPGLZWJNOP-WJBHNMTJSA-N 378.465 2.897 0 1 GFAF endogenous,in-man Cc1noc([C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1 205121840 UMFQDKMJQQGLEO-HNNXBMFYSA-N 380.452 2.542 0 1 GFAF COc1ccc(NC(=O)c2cc([C@H]3CCCCN3S(C)(=O)=O)on2)c(C)c1 61926415 FSUDSDLWDVGXAO-MRXNPFEDSA-N 393.465 2.731 0 3 GFAF CNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc23)CC1 20564335 UUFPENNRUPRJNF-UHFFFAOYSA-N 378.480 2.703 0 1 GFAF CC=C1CN2CC[C@]34c5ccccc5N(C(C)=O)[C@@H]3[C@H](COC(C)=O)[C@H]1C[C@@H]24 2356592925 PTRWORWVJKGZCI-DYGHIYBASA-N 380.488 2.893 0 1 GFAF CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@H]3CCCCO3)CC2)no1 71316748 AOCSQGAXWSYTPJ-CQSZACIVSA-N 378.473 2.607 0 1 GFAF COc1cc(-c2nc3c([nH]2)C2=N[C@@H](C)CN2C(=O)N3Cc2ccccc2)on1 72108906 TZUCWLTXMJAOCP-NSHDSACASA-N 378.392 2.664 0 1 GFAF CCOc1ccc(CCNc2nc(N3CCC(C(N)=O)CC3)ncc2C)cc1 82203979 KOQNXCYGUCSVGF-UHFFFAOYSA-N 383.496 2.540 0 1 GFAF CCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1 95601141 PPIGJGJEMYVMQS-UHFFFAOYSA-N 390.486 2.941 0 1 GFAF C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccccc1F 95568568 VMMBEADWAKWRES-NRFANRHFSA-N 379.439 2.941 0 3 GFAF CC1(C)OC(=O)N[C@@H]1CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 95068022 NGZCFOOXHBVQFM-LSDHHAIUSA-N 378.425 2.813 0 1 GFAF COc1ccc([C@](C)(O)c2nc(N3CCN(C)CC3)nc3ccccc23)cc1 299864829 MZKMYOGXNTZOHY-QFIPXVFZSA-N 378.476 2.646 0 1 GFAF O=C1C[C@@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)CN1Cc1ccc(F)cc1F 587148611 IXQIXHMIYNTRJJ-SNVBAGLBSA-N 383.358 2.939 0 1 GFAF COC(=O)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2n1 587113211 ZMZDNTMUDCENDZ-UHFFFAOYSA-N 378.310 2.693 0 1 GFAF Clc1cnc(Br)c(-c2nc3nc(Br)c[nH]c-3n2)n1 587005575 LDPQRXRWJMTWPL-UHFFFAOYSA-N 390.426 2.940 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CCC)(CC(=O)N[C@@H]1CCOC1=O)CC2=O 587469528 IZJYSPLJPNQELV-VFNWGFHPSA-N 389.448 2.671 0 1 GFAF CCOC(=O)[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346446 MMCSEUKPEIMPTH-LQBOVUBWSA-N 399.418 2.802 0 1 GFAF COC(=O)c1cc2[nH]c(Cn3nc(C)c(Br)c3C)nc2cc1OC 586979388 YQLAEDBZLREZPA-UHFFFAOYSA-N 393.241 2.982 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](Cc2ccncn2)(c2ccc(F)cc2)N1 962893069 GBEGZHLAGVJBCF-PZJWPPBQSA-N 381.382 2.840 0 1 GFAF CCOC(=O)C(=O)C[C@]1(C(F)F)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962618192 DAKNXMZQHMRGIW-NSPYISDASA-N 385.407 2.563 0 1 GFAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCN1CCOCC1 1772574401 HFGCEDMZDOKBLO-VOTSOKGWSA-N 376.460 2.692 0 1 GFAF O=Cc1ccccc1-c1cccn([C@@H](CN2CC[C@@H](O)C2)c2ccccc2)c1=O 13488487 RCERLLBHZQVWIV-OFNKIYASSA-N 388.467 2.984 0 1 GFAF COC[C@@H](Cn1ncc(Cl)c(Cl)c1=O)NCc1ccnc2ccccc12 169328819 WGHWFRSQERZLDR-CYBMUJFWSA-N 393.274 2.903 0 1 GFAF O=c1n(-c2ccccc2Cl)cc(O)n1S(=O)(=O)c1ccc(Cl)cc1 169715256 DLHUCQLOGMVCMG-UHFFFAOYSA-N 385.228 2.888 0 1 GFAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ncccc1O 168457760 WPXDXUPGFMFDNW-UHFFFAOYSA-N 376.416 2.592 0 1 GFAF CC(C)c1cc(N2CCN(C)CC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3 1857638561 YIGQFLZYHUXGFS-UHFFFAOYSA-N 397.567 2.906 0 1 GFAF COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C[C@H]1COC(=O)[C@H]1C2)OCO3 1575124 YIIRKVZAEAXDAD-ZFWWWQNUSA-N 398.411 2.996 0 1 GFAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)c1O 105518493 RBEXOAWNMJODKC-IIYZAJTGSA-N 399.443 2.948 0 3 GFAF CC(C)(C)NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1 112973604 KHQJFOGAYMDMFV-UHFFFAOYSA-N 383.427 2.588 0 1 GFAF OCC(CO)N1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28016833 FPMPUNRITMVLEJ-UNMCSNQZSA-N 388.458 2.512 0 1 GFAF CC(=O)O[C@@H]1CC2=C3[C@H](C[C@H](C)[C@]4(C[C@@H](c5ccoc5)OC4=O)[C@@H]3C1)OC2=O 2356434829 GMHUPLXKKUACIO-HNINAUPBSA-N 386.400 2.858 0 1 GFAF COc1cccc2c1sc1nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n12 64539721 MFNKUNOSNXLBNI-UHFFFAOYSA-N 399.403 2.693 0 1 GFAF O=C1NC(=O)[C@@H](S(=O)(=O)c2cccc3c(Br)cccc23)S1 29214367 NHGDNRXYCKECLZ-GFCCVEGCSA-N 386.248 2.685 0 1 GFAF CC[C@@H]1CCN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2[C@@H]1C(=COC)C(=O)OC 2356678455 HEPXCIJEQGEUMT-XFIWCOJDSA-N 384.476 2.700 0 1 GFAF CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@@H]3CCCCO3)CC2)no1 71316747 AOCSQGAXWSYTPJ-AWEZNQCLSA-N 378.473 2.607 0 1 GFAF COc1ccc(C(=O)[C@H]2c3cc4c(cc3CCN2C)OCO4)c(C(=O)O)c1OC 13382866 GJRNGHJRNCNOTD-GOSISDBHSA-N 399.399 2.543 0 1 GFAF biogenic c1cc(-c2nnn[nH]2)ccc1OCCCCCOc1ccc(-c2nnn[nH]2)cc1 40827745 UABIQSUBJCGZHS-UHFFFAOYSA-N 392.423 2.675 0 1 GFAF CCOc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 43152690 YZMLUOHUAMGPGS-MRXNPFEDSA-N 393.422 2.994 0 1 GFAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@H]3[C@@H]1[C@@H]1C[C@](C)(O)C(=O)CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 195204377 XZPFJFYBJFLLCW-RENDQAGISA-N 394.508 2.503 0 1 GFAF O=C(NCc1ccccc1)c1cn(COCCO)c2ccc(Cl)cc2c1=O 43012290 NSJHFMZSJXWAEV-UHFFFAOYSA-N 386.835 2.551 0 1 GFAF C[C@@]1(c2ccccc2)Sc2nncn2N=C1c1ccc2c(c1)NC(=O)CO2 82151831 KPJQPEQKKOQWEV-IBGZPJMESA-N 377.429 2.883 0 1 GFAF CCOc1ccccc1-c1nc(O)c2c(n1)c(-c1ccccc1)nn2CC(N)=O 84596558 MCIIAOGKTNLVDX-UHFFFAOYSA-N 389.415 2.750 0 1 GFAF C/C1=C\C(=O)O[C@@H](C[C@@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C/CC1 195133736 JDROCHDFKUSVDQ-NHVUGKMFSA-N 397.537 2.938 0 1 GFAF CCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82083343 DRMRVWFAQAAMQK-LBPRGKRZSA-N 391.493 2.862 0 1 GFAF Cn1c(=O)oc2cc(-c3cc(C(=O)N[C@@H](CO)Cc4ccccc4)co3)ccc21 621430198 LMVGTARBWSBMOH-QGZVFWFLSA-N 392.411 2.725 0 1 GFAF CCN1C(=O)c2cccc3c(S(=O)(=O)NC[C@@]4(C)CC(C)=NO4)ccc1c23 653737372 GDVVXKDWNBQOCY-LJQANCHMSA-N 387.461 2.653 0 1 GFAF NC(=O)c1cc2c(nc1O)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510622 MGJVNLQTSGUYIC-JOCHJYFZSA-N 378.428 2.962 0 1 GFAF NC(=O)c1cccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 587144897 QREUKHQCPNQLMU-GFCCVEGCSA-N 377.217 2.806 0 1 GFAF COc1cc([C@H]2NCCc3c(C(=O)O)cccc32)ccc1OCc1nccn1C 963148731 OHDMUAZBKRWAHG-OAQYLSRUSA-N 393.443 2.941 0 1 GFAF COC(=O)C[C@@]1(c2cccc(OC)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963037999 ZFEDGOMEUXJULI-PEBXRYMYSA-N 380.444 2.555 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(N1)C(=O)Nc1cc(Cl)cc(Cl)c12 962915063 AEARRRPFVCLINY-SUMWQHHRSA-N 381.190 2.927 0 1 GFAF O=C1CC2(CCOCC2)C[C@@]2(C1)N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962964212 JRKXAPNZEUICFT-IFXJQAMLSA-N 399.821 2.962 0 1 GFAF COc1cnc(C[S@@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)cc1OC 13451954 QHJAZTPZMQWHLD-SANMLTNESA-N 383.376 2.884 0 1 GFAF O=C(CN1CCN(CCOc2ccc3ccccc3c2)CC1)Nc1nccs1 169345151 FFTXZSWUBSZKHV-UHFFFAOYSA-N 396.516 2.931 0 1 GFAF O=C(Nc1ccc(C(=O)N2CCC3(CNC3)C2)cc1)N1Cc2ccccc2C1 166451438 DIWCBGBMOAQREX-UHFFFAOYSA-N 376.460 2.670 0 1 GFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NC2CCC(F)(F)CC2)n1 2356309730 IJIRLUXFRATRKI-MLHJIOFPSA-N 383.483 2.668 0 1 GFAF COc1c2c(cc3oc(CO)c(CCC(C)C)c(=O)c13)O[C@@H](C(C)(C)O)C2 2356309732 IQKGCIVZNNOLKK-QGZVFWFLSA-N 376.449 2.957 0 1 GFAF CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc12 27323846 UYRTXPVKARCBBF-UHFFFAOYSA-N 397.500 2.597 0 1 GFAF CC(=O)Nc1ccc(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)cc1 55107441 BYRVFTODYHIAQJ-UHFFFAOYSA-N 398.551 2.600 0 3 GFAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4cc(Cl)ccc4s3)C[C@H]12 29221866 HTYYKBQUEJVVSU-AKGNYGMASA-N 396.877 2.950 0 1 GFAF C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C)n1)C(C)(C)O 28524677 VQOYNMSMKROORB-LBPRGKRZSA-N 385.443 2.558 0 1 GFAF Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3CC(N)=O)nc2c1 113424260 BNIXKMNUVFEKCH-UHFFFAOYSA-N 392.488 2.987 0 1 GFAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 2356737884 YGYJZDJSMUWKQG-PBWTXFEYSA-N 392.569 2.691 0 1 GFAF O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(-c2ccccn2)cc1 217122847 XUYADUJNHAMDAK-JOCHJYFZSA-N 387.483 2.898 0 1 GFAF O[C@](CNCc1ccccn1)(Cn1cncn1)c1ccc(Cl)cc1Cl 40391684 AIZSRLBTNCBHQX-QGZVFWFLSA-N 378.263 2.658 0 1 GFAF COC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H](O)c1cc(O)c(OC)c(OC)c1 45334814 QGDREQAJEZGROA-SFHVURJKSA-N 387.388 2.768 0 1 GFAF C[C@@H]1NCCn2cc(-c3cc4c(cc3F)C(=O)[C@@H](C(=O)O)CN4C3CC3)cc21 45244949 XTCQDIDBKFSLFT-ZBEGNZNMSA-N 383.423 2.824 0 1 GFAF CC(=O)NCCn1c(C(C)C)nc2c(NCCc3cccc(F)c3)ncnc21 82179686 XBOKHNOYNDIGPS-UHFFFAOYSA-N 384.459 2.880 0 1 GFAF CC(=O)NCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1 82133686 ZOJFBDIGCFLABQ-UHFFFAOYSA-N 393.447 2.523 0 1 GFAF CCCNC(=O)N1[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO 95893654 RJPJGJCXOLHHCU-AABGKKOBSA-N 379.460 2.595 0 1 GFAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccccc3)cnc2O[C@@H]1CN(C)C 95711531 WYWRIWAKLMZJHI-TWOQFEAHSA-N 383.492 2.530 0 1 GFAF O=C1N[C@@H](Cc2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccccc1 95898439 YTMMXCOCLAUKDR-SFTDATJTSA-N 390.487 2.785 0 1 GFAF COCCN(CCOC)c1cc(C)nc2c(-c3ccc(N(C)C)nc3)c(C)nn12 95603933 PBOIKIWQJQBJHI-UHFFFAOYSA-N 398.511 2.573 0 1 GFAF CCN1C(=O)N(c2ccc(OC)cc2OC)C(=O)[C@@]12OC(=O)c1ccccc12 653851569 RKVMLKXUAPVBOJ-HXUWFJFHSA-N 382.372 2.516 0 1 GFAF CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451549 IBXPLXGBJJWFHN-IVZQSRNASA-N 396.395 2.672 0 1 GFAF NS(=O)(=O)c1ccc(CCc2nc3ccc(F)c(Br)c3[nH]2)cc1 586930730 WMJLOBBTEMKHMF-UHFFFAOYSA-N 398.257 2.897 0 1 GFAF COc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cn1 586934599 CCHQHULXSWAWPQ-ZDUSSCGKSA-N 392.506 2.739 0 1 GFAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccnc(O)c2[nH]1 586945047 CAASCXHMBNCJPG-UHFFFAOYSA-N 392.487 2.932 0 1 GFAF CCCN1C=C(C(=O)O)[C@@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2ccccc21 962905251 DCKAGPWKHICQMA-AVRDEDQJSA-N 396.418 2.867 0 1 GFAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccncn2)c1F 1772599200 OMXIJSCLDKJRER-GXFFZTMASA-N 378.835 2.805 0 1 GFAF CC/C=C/Cn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21 13839099 ZZECZRDKUBKRTK-VOTSOKGWSA-N 383.452 2.991 0 1 GFAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@]23O)ccc1O 14506021 JDOYVXXEQQTICM-OOBDGNPPSA-N 388.416 2.608 0 1 GFAF endogenous,in-man C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 19861725 FLMSQRUGSHIKCT-ZPMFUVBBSA-N 390.520 2.575 0 1 GFAF COc1cncc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-n2nccn2)c1 166602276 AFLPVDYCVMAMQP-QGZVFWFLSA-N 393.447 2.933 0 1 GFAF Cc1cc(C(=O)[C@@H]2C(=O)Nc3ccc(F)cc32)c(C(=O)N2CCCCC2)c(O)n1 1857650959 ZQZHOHVULLSNSE-MRXNPFEDSA-N 397.406 2.779 0 1 GFAF CC[C@@H](C(=O)NCc1ccccn1)n1c2ccccc2c2nc(=O)cc(C)n21 6780292 CEGKPTNELBVZMY-KRWDZBQOSA-N 375.432 2.620 0 3 GFAF CCC(=O)N1[C@H](C(=O)NCCC2=CCCCC2)CSC12CCN(C)CC2 6943582 IEFPJIVLRUHUEN-KRWDZBQOSA-N 379.570 2.769 0 1 GFAF CCNC(=O)Nc1nc2cc(-c3ccc4ncnn4c3)c(=O)n(C(C)C)c2s1 103263634 PZENHOQOINDFGF-UHFFFAOYSA-N 397.464 2.890 0 1 GFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCC2CCOCC2)O3)c1 61904147 ULLOAWRHWZNMHB-FQEVSTJZSA-N 395.459 2.553 0 3 GFAF CC(=O)Nc1ccc2cc3c(c4c2c1C(=O)N(CCN(C)C)C4=O)CCCC3 26830807 ZLAKOTAWVNHBRQ-UHFFFAOYSA-N 379.460 2.835 0 1 GFAF COc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)nc(N)c2cc1OC 25965761 LKQKVFUSTOHWES-UHFFFAOYSA-N 399.495 2.504 0 1 GFAF CCCN1CCN(C(=O)c2ccc(C[S@](=O)c3ccc(OC)cc3)o2)CC1 20514965 QYBGUYRXMOPUSG-HHHXNRCGSA-N 390.505 2.764 0 1 GFAF CC(=O)O[C@@H]1[C@H](O)[C@H](C(C)C)[C@]2(C)CC[C@]3(C)CC[C@H](O)C4=C3[C@H](OC4)[C@H]12 2356610648 RQLGNNVVLDWWNK-UXUVTIFVSA-N 378.509 2.838 0 1 GFAF CCc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 38215327 LLQJQYIOQUUNMV-LJQANCHMSA-N 384.476 2.930 0 1 GFAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCN3CCOCC3)cc(O)c12 40954021 MGRVPZZWDFRRHB-UHFFFAOYSA-N 383.400 2.582 0 1 GFAF OCc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(CN4CCCC4)c3n2)c1 43205761 IVRHPVWEBIOJTP-UHFFFAOYSA-N 393.491 2.550 0 1 GFAF O=C(CSc1nc2c(c(=O)[nH]1)[C@H]1CCCC[C@@H]1S2)NCc1ccco1 45356809 XJRPOETWODPJGX-RYUDHWBXSA-N 377.491 2.903 0 1 GFAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2N2CCC2)C1 95553099 QCAVKOMYMKNZKH-UHFFFAOYSA-N 385.777 2.816 0 1 GFAF CN1CCN(C(=O)[C@@H]2C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)CC1 299870370 VNXBDWUNAYPTRF-RTPHMAOBSA-N 398.547 2.609 0 1 GFAF in-vivo COc1cncc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c12 586936304 LGPIRRNQGLZHJF-ZDUSSCGKSA-N 392.506 2.739 0 1 GFAF C[C@@]1(c2cc(O)ccc2N)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962659514 FQTXWYUTBCANIA-FCHUYYIVSA-N 377.444 2.885 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CC(C)(Oc4ccccc4)C3)n2)c1 1772635461 WEOKDNDPEDCNAT-UHFFFAOYSA-N 390.447 2.633 0 1 GFAF O=C(NCc1cccs1)C1=CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5108115 CDAHCPZMEHVVAT-UHFFFAOYSA-N 380.466 2.524 0 1 GFAF O=c1cc(CC(COCc2ccccc2)COCc2ccccc2)[nH]c(=O)[nH]1 169353943 AMWCTWOBLLKCMJ-UHFFFAOYSA-N 380.444 2.656 0 1 GFAF CO[C@@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@H]3C5 169356573 DRJFACWZQYBMLO-LOBSKVKDSA-N 383.488 2.647 0 1 GFAF O=C(NCCc1cccnc1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166988579 LVBGSNTVFYLNOJ-UHFFFAOYSA-N 387.443 2.997 0 1 GFAF Cc1ccc2c(c1)cc(CN(C(=O)N1CCOCC1)C1CCCC1)c1nnnn12 1376876 UMIPVVJFQPOEAA-UHFFFAOYSA-N 394.479 2.783 0 3 GFAF N=C1O[C@H](CN2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1 3786674 DLNAGIRFNFNTOI-LJQANCHMSA-N 395.532 2.841 0 1 GFAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4038708 RHXVUHHGYPGFGP-CNDZOEFASA-N 394.519 2.911 0 1 GFAF CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CC2CC2)cc1 61929033 WGIVSXKLDGEWQS-FQEVSTJZSA-N 392.521 2.580 0 3 GFAF Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(N4CCCC4=O)cc3)C(=O)O2)s1 113066729 JDZMFDDYWDYSSV-MRXNPFEDSA-N 399.472 2.939 0 1 GFAF CCCOc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 28005331 CJRXCVZFRUKNKT-INIZCTEOSA-N 381.392 2.753 0 1 GFAF C[C@]12CC(=O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356523412 QVOASVIYQDJABT-DSXQVDHBSA-N 388.504 2.783 0 1 GFAF COC(=O)[C@@]12CCC[C@@]3([C@H](O)OC1)[C@@H]1[C@H](O)c4occc4[C@H](C)[C@H]1CC[C@H]32 2356711986 IUERDUXXUQLZOY-KPYZWUNJSA-N 376.449 2.751 0 1 GFAF CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4Cl)c3c2)CC1 64447580 VRVOIROEETWTTF-UHFFFAOYSA-N 390.896 2.801 0 1 GFAF CCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82083341 DRMRVWFAQAAMQK-GFCCVEGCSA-N 391.493 2.862 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(C)=O 95894949 XKSXBKSIMCJEBG-YPAWHYETSA-N 395.503 2.738 0 1 GFAF COCOCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95535305 ZQQDADNZVDUFPX-LJQANCHMSA-N 385.416 2.989 0 1 GFAF O[C@H]1CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 96168716 QDVIRYCELRURGX-KRWDZBQOSA-N 391.475 2.644 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)NC3CCCC3)N(C(C)=O)[C@H]2CO)cc1 95894983 HQXBDHRGIAAEDE-ISUJQMBSSA-N 399.535 2.979 0 1 GFAF COc1cc2c(Nc3ccc(F)cc3)ncnc2cc1OC[C@H]1CNCCO1 299826000 NZGWREUDYLPGPL-OAHLLOKOSA-N 384.411 2.888 0 1 GFAF COCCN1C(=O)C[C@]2(C=C1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584594 YZESWWBGSKNHNG-UGKGYDQZSA-N 395.411 2.875 0 1 GFAF Cc1ccnc2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc12 587127817 GENRLJAWGQRDKW-UHFFFAOYSA-N 376.342 2.690 0 1 GFAF COC1=CN(C)C(C(=O)O)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587755545 AUOQHFRXNKLESV-VVVCHXIZSA-N 397.244 2.719 0 1 GFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(N)=O)nn1 587865994 SAXWIRHRGGAQJF-UHFFFAOYSA-N 377.326 2.846 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(N)(=O)=O)c2)N1 587840140 JSNIHEFUGMYVNL-ABKXIKBNSA-N 399.285 2.859 0 1 GFAF COC(=O)CCS(=O)(=O)CC[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963103652 GDLSNWBWYGUDJJ-INIZCTEOSA-N 394.320 2.722 0 1 GFAF N#CN1CC[C@@H](NC(=O)c2ccc(-c3ccnc(C(F)(F)F)n3)cc2F)C1 1857546466 ALISHZYUMKMKSX-LLVKDONJSA-N 379.317 2.587 0 1 GFAF CN(C)CCCOc1cc(C(=O)Nc2nccs2)n(Cc2ccccc2)n1 26028867 RDFZFGBYGSRYFC-UHFFFAOYSA-N 385.493 2.971 0 1 GFAF CCCN1CCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)CC1 59859981 KBNTTZWNTANRGX-UHFFFAOYSA-N 380.448 2.970 0 3 GFAF O=c1c(NCc2ccccc2)c(NC2CCN(Cc3ccccc3)CC2)c1=O 103244155 PJZKVQOAMFIWQA-UHFFFAOYSA-N 375.472 2.971 0 1 GFAF O=C1NC(=S)N/C1=C/c1cc2cc(-c3ccc4c(c3)COC4=O)ccc2[nH]1 101464039 ZFGJRYUHAIYSII-CAOOACKPSA-N 375.409 2.851 0 1 GFAF CCOC(=O)c1cn(Cc2ccc(C)cc2)c2c(ccc3c2nnn3C)c1=O 28704631 NEILKZXMKLNSIW-UHFFFAOYSA-N 376.416 2.817 0 1 GFAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C(C)C 66101623 HOOMNEMLNJDAKE-AEFFLSMTSA-N 378.469 2.673 0 1 GFAF CC(=O)O[C@H]1C=C2CO[C@@H](OC(C)=O)[C@@H]2[C@]2(C)[C@@H]1C(C)(C)CC[C@H]2OC(C)=O 34408707 AHYOMNHOEAZVJA-UCWVGABGSA-N 394.464 2.768 0 1 GFAF COc1cc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@H]2O)ccc1O 14648284 LGBAIPUTDBEARD-VQTJNVASSA-N 386.400 2.998 0 1 GFAF biogenic Cc1nocc1S(=O)(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 43024169 QRZXOQNNWGAWKP-UHFFFAOYSA-N 392.525 2.925 0 1 GFAF NS(=O)(=O)c1ccc(Sc2ccccc2)c(C(=O)NCc2ccccn2)c1 49112973 BXTHWNJLGBFQMW-UHFFFAOYSA-N 399.497 2.810 0 1 GFAF O=C(O)CCNC(=O)c1ncc2cc(NC(=O)c3ccc(F)cc3)ccc2c1O 146784639 WATLWSKURSMVMI-UHFFFAOYSA-N 397.362 2.536 0 1 GFAF Cn1c(C(=O)N2CC(c3nccnc3N3CCCCC3)C2)nc2ccccc21 140195860 SGAMXQULNYYEOU-UHFFFAOYSA-N 376.464 2.593 0 1 GFAF O=C(O)c1ccnc(-c2cn([C@@H]3CCCN(C(=O)c4ccccc4)C3)nn2)c1 473134043 BFLBQNQXHXJNHU-MRXNPFEDSA-N 377.404 2.516 0 1 GFAF C=C1C=C(C)N2NC([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)=NC2=N1 587585710 HAVZYGJMSBELFE-VQIMIIECSA-N 388.383 2.728 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(C)c(Br)cnc2[nH]1 586944550 MKZPUTQCZSYWQY-UHFFFAOYSA-N 399.270 2.646 0 1 GFAF COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445530 ZZOMNXQBVLBLHW-ZHRRBRCNSA-N 396.395 2.688 0 1 GFAF O=C(O)c1cccnc1SCc1nc2ccc(CN3CCOCC3)cc2[nH]1 586969271 VAMBGQAPJGEHDL-UHFFFAOYSA-N 384.461 2.781 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@H]([C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)c3cccc1c32 963035186 WNFBQZIKTCEXSR-DBSYTYAISA-N 383.492 2.894 0 1 GFAF COc1cc(C(=O)N[C@H](CNC(C)=O)c2ccccc2)ccc1-c1cn[nH]c1 1772633259 NIYRFURQRFEWPT-LJQANCHMSA-N 378.432 2.693 0 1 GFAF O=C(NCCCCN[C@H]1COc2ccc(O)cc2C1=O)c1cc2ccccc2[nH]1 1857567165 LXDKFBSEJYAHRD-IBGZPJMESA-N 393.443 2.617 0 1 GFAF O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1ccco1 110749485 HSMUOVBDBBORBG-CABCVRRESA-N 381.775 2.879 0 1 GFAF CN(C)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 28765486 KIAMRVBGNUOOBU-UHFFFAOYSA-N 379.869 2.705 0 1 GFAF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)NC)O1 2356831167 JMTPBTLHAQEXIC-KIPTXZGASA-N 395.632 2.675 0 1 GFAF Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CNC(=O)CN3)oc2ccccc12 45259773 WXQZIOKWFUYPNX-BQYQJAHWSA-N 390.443 2.850 0 1 GFAF C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211458 SNCWFYGAIIQODC-CYBMUJFWSA-N 396.422 2.502 0 1 GFAF NC1=N[C@@]2(CO1)c1cc(-c3ccc(F)nc3)ccc1OC1(CCC1)C21COC1 149407995 FJDLAEVSDZQHMJ-NRFANRHFSA-N 381.407 2.760 0 1 GFAF CCCO[C@@]12[C@@H]3CC(=O)N4c5ccccc5[C@@]5(CCN6CC(=CCO3)[C@@H]1C[C@H]65)[C@@H]42 238741381 LXCWOJFHNGQUTF-PNZHQKCXSA-N 392.499 2.642 0 1 GFAF OCc1nnc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)o1 473179068 CTCYFGZXOIZJMH-UHFFFAOYSA-N 396.382 2.683 0 1 GFAF Cc1c(O)c(C(C)(C)C)cc(CSC[C@H](N)C(=O)O)c1Cc1ncc[nH]1 299854421 YRBQNSVXONEKBH-HNNXBMFYSA-N 377.510 2.957 0 1 GFAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587079023 FMMQDAAWMMZHFA-GFCCVEGCSA-N 389.868 2.588 0 1 GFAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(O)c2[nH]1 586937243 LKLQBMKQXVDQHI-ZDUSSCGKSA-N 380.857 2.993 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(NS(C)(=O)=O)c1)O2 587409660 NJJSLAMIFMMMDJ-GOSISDBHSA-N 376.434 2.535 0 1 GFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 586925563 HFVAIGDHLMXSGC-GOSISDBHSA-N 386.433 2.506 0 1 GFAF N=c1[nH]ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587172082 YPBRNGJPOPYRQO-MRXNPFEDSA-N 397.435 2.577 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@]21c2c(N)ccc3c2CCN1C3 962950078 DNKBSLKYQCNCMA-YUZJZSIESA-N 385.508 2.786 0 1 GFAF COC(=O)c1n[nH]c(-n2cccc2[C@H]2c3c(F)cccc3C[C@H]3CCCN32)n1 963101278 JTAYGNCIVBVQSI-DYVFJYSZSA-N 381.411 2.631 0 1 GFAF CC(C)C[C@H]1CC(Nc2nn[nH]n2)=C[C@@]2(C1)c1ccsc1CCN2C(N)=O 962717693 UYJZCZRZQQAQEF-SGTLLEGYSA-N 387.513 2.845 0 1 GFAF CN1CCN(c2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)CC1 15779384 HEGCVQQTYDPQJG-UHFFFAOYSA-N 375.879 2.579 0 1 GFAF CCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169363574 GILYTJDQDXXBEX-LNVVDLBQSA-N 381.472 2.616 0 1 GFAF Cn1c(=O)cc(SCC(=O)NC[C@H]2COc3ccccc3O2)c2ccccc21 4101684 YXJGQVYYPWQLJM-AWEZNQCLSA-N 396.468 2.587 0 3 GFAF COc1ccccc1N1CCN(CCCCOc2ccccc2C(N)=O)CC1 103204066 JIFUXXVKVUKHNG-UHFFFAOYSA-N 383.492 2.775 0 1 GFAF CCOC(=O)c1cc(O)c(OCc2cc(=O)oc3ccc(OC)cc23)c(O)c1 103285891 HQWMWUMDUVBHJY-UHFFFAOYSA-N 386.356 2.969 0 1 GFAF O=C(NCc1ccc(F)cc1)C1=CC2=N[C@@H](C3CC3)C[C@H](C(F)(F)F)N2N1 104038688 QEKWOVMJHIIPQN-UKRRQHHQSA-N 382.361 2.658 0 3 GFAF CC1=CC(=O)C=C2CC[C@@H]3[C@@H]4C[C@H](C)[C@](O)(C(=O)O)[C@]4(C)C[C@H](O)[C@]3(F)[C@]12C 26972142 BAORHDJHXHXDAU-DGLOSGAVSA-N 392.467 2.809 0 1 GFAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)C[C@H]1O 40690214 NBDWJVSTDQLLBS-YCPHGPKFSA-N 380.876 2.860 0 1 GFAF COc1nc(Nc2cc(C)cc(-c3cnc([C@](C)(O)CO)s3)c2)ncc1F 141823253 MHQDZSRKYGXHGD-GOSISDBHSA-N 390.440 3.000 0 1 GFAF Cc1nc2cccnc2n2c(-c3cc([C@@]4(O)CCOC4)ccc3Cl)nnc12 145746598 WFYXGWWALYXGKE-LJQANCHMSA-N 381.823 2.909 0 1 GFAF CCCCOc1c(NCCCNc2cc(OC)cc3cccnc23)c(=O)c1=O 653692007 ARPYVHHKCUSEBK-UHFFFAOYSA-N 383.448 2.932 0 1 GFAF Cc1ccc(C)c2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12 587179971 KHMRQWRREIVOHI-UHFFFAOYSA-N 396.188 2.883 0 1 GFAF O=S(=O)(c1ccc(Cl)c(-c2nc3nc(Cl)c[nH]c-3n2)c1)N1CCC1 586956206 ZJINRZLJOHDSBU-UHFFFAOYSA-N 384.248 2.673 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NC[C@@H]1CCCO1 587869257 FOHNWQNNDDHELY-NSHDSACASA-N 386.399 2.874 0 1 GFAF COc1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cn1 586955948 WZFNIWLCZXHQER-UHFFFAOYSA-N 378.841 2.681 0 1 GFAF CN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](CCO)C1 587350292 ZEIGMLRXBYRUQN-GNSUPJDDSA-N 385.435 2.963 0 1 GFAF COC(OC)[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573854 USCOBWAGTJRPEW-NDLUBXDGSA-N 385.416 2.787 0 1 GFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587194199 OBCXKLPECAKJKY-ZDUSSCGKSA-N 387.484 2.965 0 1 GFAF CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)CC)cc3[nH]2)n1 586999546 AJEMZEIYPRODMV-UHFFFAOYSA-N 397.298 2.926 0 1 GFAF CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1 13596511 XOIRXLXVGQLJTF-HNNXBMFYSA-N 397.456 2.918 0 3 GFAF CC1(C)c2ccc(I)cc2[C@@H](N2CCCCC2=O)[C@@H]1O 13820463 KZNPYBVYVFWXRZ-CABCVRRESA-N 385.245 2.997 0 1 GFAF COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(OC)c1O 15271631 PIAAUDYNDVKPCW-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic,in-vitro CC(C)[C@H](C)CCCC[C@H](O)CC[C@H](O)C[C@H](O)CC[C@@H](O)CC(=O)O 2356341694 UTDBTRDONDSBIO-ICBNADEASA-N 376.534 2.708 0 1 GFAF CCc1nn(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cccn12 6799643 SEUPWTFZHOHDIS-UHFFFAOYSA-N 378.476 2.540 0 1 GFAF N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cnnc3ccccc23)CC1 64540815 ZUEHQYQGGOAIRP-GOSISDBHSA-N 395.894 2.502 0 1 GFAF CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Br)cnc1N 20467666 IZPRMPCHIRAKKB-CYBMUJFWSA-N 384.299 2.726 0 1 GFAF C[C@@H]1C(=CC(=O)N(C)CCO)CC[C@@H]2[C@@H]1C(=O)C[C@@H]1C(C)(C)[C@H](O)CC[C@@]12C 2356618235 KDNBPNSKQKVOSU-SCYCWFPDSA-N 391.552 2.802 0 1 GFAF COc1cc2nc(NCCCOC(C)C)nc(NC[C@@H](C)O)c2cc1OC 82129248 DGPSTNFSNGTPQL-CYBMUJFWSA-N 378.473 2.667 0 1 GFAF O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC(F)(C2CC2)C1 146257653 OTWLHURBRNWIHY-UHFFFAOYSA-N 381.398 2.900 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CCN(C(=O)C2CCCC2)CC1 95666706 KQPALVUJXGNASF-LJQANCHMSA-N 397.519 2.864 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2cc(C)on2)CC(=O)c2ccc3c(c2O1)CCCC3 587522995 FUYZRKLQQZWWPO-OAQYLSRUSA-N 383.400 2.855 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\C(=O)O)(c2cnn(C)c2)N1 587765410 TUMCUZWRIAMMGL-ZPXZEWAHSA-N 394.244 2.740 0 1 GFAF Cc1c(F)ccc2c1[C@H]([C@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]31)NCC2 962095302 WQZUNCUWFPTOKD-RCFCFVIZSA-N 393.455 2.717 0 1 GFAF Cn1ccnc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962915751 BKPLXOCZSHAMDW-RXVVDRJESA-N 379.416 2.780 0 1 GFAF Fc1ccc([C@H](CN2CCN(c3cnccn3)CC2)NCc2ccccn2)cc1 198244235 BGEXWXVTDUPFCO-NRFANRHFSA-N 392.482 2.664 0 1 GFAF O=C(NCCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1 13441859 OYHWYRRICVZPOJ-FQEVSTJZSA-N 386.517 2.730 0 1 GFAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)NCC2CCCCC2)cc1 13807995 GVHMHDBVMBFXLM-LJQANCHMSA-N 382.508 2.620 0 1 GFAF COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3C)[C@@H]2C1 205209154 LHLQMESWFCOITP-SJLPKXTDSA-N 386.473 2.736 0 3 GFAF C=CC(=O)N1CC[C@H](n2cc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 1857542537 FDFIYCHWANQGQG-AWEZNQCLSA-N 393.447 2.657 0 1 GFAF Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NC[C@H]3CCCO3)o2)cc1 2966656 FGTRMQWTKYUPIP-MRXNPFEDSA-N 377.462 2.612 0 3 GFAF COc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1 4965366 JWBIXTCXPYAOIR-UHFFFAOYSA-N 378.436 2.526 0 3 GFAF COC(=O)C1=CO[C@H](C)[C@H]2CN3C=CC4=C5C=CC(OC)=C[C]5NC4=C3C[C@H]12 2356867196 ASAUPPHTXKGODW-OAUYIBNBSA-N 379.436 2.671 0 1 GFAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN2CC[C@H](N3CCCC3)[C@H]1C2 71295765 FUZIOWPRBHSDET-ZWKOTPCHSA-N 382.335 2.917 0 1 GFAF COc1cc([C@@H]2OC[C@H]([C@@H](OC)c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 238782072 KDVJSVPEOZSZGS-UFNANVBGSA-N 390.432 2.799 0 1 GFAF CC(=O)OC[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](O)(CO)C3 299835253 XAWLPRCYLCCVFP-SMNGXRRUSA-N 394.508 2.751 0 1 GFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@H](C)CN(C)C 299874362 BHCQIDIIDHSOBC-HEFCMCLBSA-N 385.464 2.836 0 1 GFAF COC1=CN(C)C(C(=O)O)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587755542 AUOQHFRXNKLESV-HUTHGQBESA-N 397.244 2.719 0 1 GFAF COC(=O)C[C@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587763796 MQDNHUAFFJKCMK-BMLIUANNSA-N 396.260 2.663 0 1 GFAF CCOC(=O)c1c[nH]nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592310 XYQIFMCQSXHRNF-KXBFYZLASA-N 380.356 2.995 0 1 GFAF Cc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587610033 PFOUWYJNKUUMSE-PGRDOPGGSA-N 378.380 2.868 0 1 GFAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)c(F)c2)c1 587147366 OCPMTWNSVJFJMI-UHFFFAOYSA-N 396.334 2.944 0 1 GFAF CCOC(=O)[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587767872 ZCBUYLVEQABSHO-DYZYQPBXSA-N 396.260 2.663 0 1 GFAF Cc1ccnn1C[C@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963138337 GLRGCBPEVVWLCC-FZKQIMNGSA-N 392.481 2.810 0 1 GFAF COc1ccc(C(=O)N2CCC[C@H](O)C2)cc1OC1CCN(C(C)C)CC1 12052794 LPUQSMCXNJNLJO-KRWDZBQOSA-N 376.497 2.544 0 3 GFAF C[C@@H]1CN(CC(=O)N2CCc3cnc(-c4cc(Cl)ccc4F)cc32)CCN1 205476002 NSAXRGNCLQSIAM-CYBMUJFWSA-N 388.874 2.724 0 1 GFAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCS3(=O)=O)cc2n1 205631218 UZYNJVPKSVWUKM-UHFFFAOYSA-N 399.447 2.675 0 1 GFAF O=c1c2c([nH]c3ccccc13)[C@H](c1sccc1CO)N(c1ncccn1)C2 1857754140 CKUDSTVORQTONJ-QGZVFWFLSA-N 376.441 2.982 0 1 GFAF Cn1cc(-c2cc(CS(C)(=O)=O)ccc2NCC2CC2)c2cc[nH]c(=O)c21 224887886 OOJMLALSYYURIH-UHFFFAOYSA-N 385.489 2.900 0 1 GFAF CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 2492255 DNFVONRVYOYMJG-KRWDZBQOSA-N 389.496 2.990 0 1 GFAF C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)C1 103889546 XFGIONNEHGAZPS-XCDZQEORSA-N 399.601 2.616 0 3 GFAF Cn1cnc2cc(-c3ccc(N4CCCC4=O)cc3)nc(NC3CC3)c2c1=O 115624135 SXYHDDJEPWQNFD-UHFFFAOYSA-N 375.432 2.697 0 1 GFAF CN(C)S(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccc4ncccc4c32)cc1 28823934 RJIPZMXOVAQUSP-VBKFSLOCSA-N 394.456 2.890 0 1 GFAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N3CCN(C)CC3)sc2n1 20757135 KJCHJFCNEKUNFC-UHFFFAOYSA-N 387.553 2.932 0 1 GFAF COc1ccc([C@@H]2O[C@H](O)[C@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc1OC 2356475170 RFMVVAAYBGTQPS-HMZXVTOGSA-N 386.400 2.826 0 1 GFAF CCCNC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1CC 8295986 JMCUEDCDTNWNMQ-HOTGVXAUSA-N 382.526 2.648 0 1 GFAF biogenic Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@@H]1CCCOC1 1911577288 VEIDJCZTCOMVLV-SNVBAGLBSA-N 380.330 2.966 0 1 GFAF N[C@@H](Cc1cc(Cl)c(Cl)c(-c2ccc(-c3nnn[nH]3)cc2)c1)C(=O)O 45350403 GVTLEOFZXYYHFP-ZDUSSCGKSA-N 378.219 2.795 0 1 GFAF C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CCO1 225557735 TUPNAVGCYXZCRL-ZDUSSCGKSA-N 375.436 2.646 0 1 GFAF COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CCC[C@@](C(C)=O)(C1)[C@H]23 86052947 UPEIYBJSTNGANI-FKBYEOEOSA-N 382.460 2.633 0 1 GFAF COC(=O)[C@@H]1CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 85835759 MXHRBHXSJSGQKW-JSTNKADPSA-N 384.476 2.920 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)C1CCCCC1)C2 95796702 PSCGPEDQCGKLHW-UXHICEINSA-N 399.535 2.728 0 1 GFAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255209430 FLMSQRUGSHIKCT-LWXBXQAISA-N 390.520 2.575 0 1 GFAF CCCCCC(=O)O[C@@H]1C=C2C(=O)OC[C@]2(O)[C@]2(C)CC[C@@H](O)C(C)(C)[C@@H]12 607857392 CCTUVGJRXQPMOJ-SXHWCIJUSA-N 380.481 2.510 0 1 GFAF biogenic Cc1nn(C)c(C)c1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582597 QDDPFGGWEUJYFS-LAUBAEHRSA-N 394.383 2.684 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)o1 586931487 FJQVDFHKKWPVMV-UHFFFAOYSA-N 386.227 2.541 0 1 GFAF COCCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(OC)cc3)ncc12 209384376 QJMXKDOWJKVXKY-GFCCVEGCSA-N 385.424 2.874 0 1 GFAF Cn1cnc(S(=O)(=O)N2C[C@H](Nc3ccccc3)[C@H](c3ccccc3)C2)c1 225857210 FRPYSHYFXSVLBY-OALUTQOASA-N 382.489 2.689 0 1 GFAF C[C@@H]1N[C@H](CC[C@H](CCCO)CCCCCC[C@H](O)CC(=O)O)CC[C@H]1O 2356316850 UMAPXMPJFAVENC-UHZRXMQZSA-N 387.561 2.833 0 1 GFAF c1cc(OCCCCOc2cccc(C3=NCCN3)c2)cc(C2=NCCN2)c1 6534999 RIWPJXUMTFYVQG-UHFFFAOYSA-N 378.476 2.624 0 1 GFAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)Nc1ccc2c(c1)OCO2 101750751 COJMDINOLOOKGF-UHFFFAOYSA-N 379.401 2.917 0 1 GFAF CCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1NCC(=O)NCc1ccccc1 9687131 PJHXUCNVYLEYQN-UHFFFAOYSA-N 397.500 2.764 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(CN3CCOCC3)cc1)C2 28335257 DXPFFPDCRUGNRH-OAQYLSRUSA-N 383.444 2.722 0 1 GFAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NCc2cccc(Cl)c2)C[C@H]1O 2356288649 ILMHFLKWCMXTMV-VNTMZGSJSA-N 387.911 2.698 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)c1cc(OC)c(OC)c(OC)c1)C2 101323988 UQKXCGKVDCHFBT-AWEZNQCLSA-N 386.400 2.968 0 1 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)C1CCCCC1 61906639 RGRBXHNYKWCSGY-SFHVURJKSA-N 398.912 2.716 0 3 GFAF COc1ccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2F)cc1C 29056884 VMXKKYTUPXTLIY-UHFFFAOYSA-N 383.383 2.585 0 1 GFAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)CNC(C)=O 2356687551 SQLQLDKOWUQTAV-LRGNLBRXSA-N 379.497 2.943 0 1 GFAF Cc1cc(C)n([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NCc3ccc(Cl)c(Cl)c3)[C@H]2O)n1 2356755908 CKHMMHGQRPANNG-SFFUCWETSA-N 398.290 2.622 0 1 GFAF CN1CCC(n2cc(C(N)=O)c3c2-c2nc(NC4CCCC4)ncc2CC3)CC1 64539321 DVXZIFWSUHATCY-UHFFFAOYSA-N 394.523 2.764 0 1 GFAF COc1cncc(-c2cccc([C@@]3(c4ccsc4)N=C(N)N(C)C3=O)c2)c1 72177496 PDTDVARFGYKUMS-FQEVSTJZSA-N 378.457 2.849 0 1 GFAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1[nH]c(CC)nc1Cl 35847180 TXBFIMGGMYBORG-UHFFFAOYSA-N 381.860 2.987 0 1 GFAF COc1ccccc1C(=O)NCCN1CCC(n2c(O)nc3ccccc32)CC1 95598506 RPGIWINBXPSYBB-UHFFFAOYSA-N 394.475 2.817 0 3 GFAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 255264500 SHIBSTMRCDJXLN-ARDCMZGWSA-N 390.520 2.575 0 1 GFAF Cc1ccc(-n2c(=O)n(C)c3ccc(C(=O)c4c(C)nn(C)c4O)cc32)cc1 299855648 BDHREOFWSASHQM-UHFFFAOYSA-N 376.416 2.616 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(CSc1nnnn1-c1ccccc1)[C@@H](C2)C3=O 587451491 YPRSOQCHQCXJKF-MGPUTAFESA-N 394.456 2.969 0 1 GFAF O=C1COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2N1 587591455 CLTGJZQCPAHZIL-PXNSSMCTSA-N 390.351 2.821 0 1 GFAF COC(=O)[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587808796 PHECRVRAHPYUNP-JHXNIKBNSA-N 384.245 2.860 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586945913 OGHXLNULSMUZCG-UHFFFAOYSA-N 385.348 2.502 0 1 GFAF COc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(F)c(C)c3)n2)c(OC)c1 5034660 YKMBNVVNLZHLII-UHFFFAOYSA-N 391.424 2.834 0 1 GFAF O=C1COc2cccnc2N1Cc1cccc(-c2cccc(Cc3nnn[nH]3)c2)c1 13652688 YDMOCDIUOFEIBN-UHFFFAOYSA-N 398.426 2.778 0 1 GFAF C/C1=C/[C@@H](O)C(C)(C)CCC[C@@](C)(O)[C@H](O)C[C@@H]1OC(=O)c1ccc(O)cc1 169692874 PTXVSFQAEBBMCK-RCIWTELDSA-N 392.492 2.937 0 1 GFAF Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3C[C@H](C)O)nc2n1 113420722 ZWZHAWCKFMTSMU-INIZCTEOSA-N 376.464 2.771 0 1 GFAF Cc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 58548392 MGJVXHJJLUSUHL-UHFFFAOYSA-N 378.476 2.705 0 3 GFAF CC[C@H](C)[C@@H](CO)NCCCn1cnc2c(OCc3ccccc3)ncnc21 61922694 XZUNGFMLGIECCM-FUHWJXTLSA-N 383.496 2.792 0 3 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4Br)C[C@H]32)n1 116828612 CTTAQNIKFVJOHR-CZUORRHYSA-N 387.281 2.817 0 1 GFAF Cc1ccc(S(=O)(=O)Nc2nc3nc(-c4ccccc4)cc(O)n3n2)cc1 26028788 UKVFSIJTIUENDO-UHFFFAOYSA-N 381.417 2.606 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccc4)CC3)nc21 26821519 ANJHIOPHDYRPPG-UHFFFAOYSA-N 396.422 2.580 0 1 GFAF Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1 28225648 AHIGENLQAMBSQQ-UACZKXNTSA-N 381.494 2.614 0 1 GFAF O=S1(=O)NCc2ccccc2N1C1CCN([C@@H]2CCc3ccccc3C2)CC1 28387543 WAYITSUZOXRFOB-OAQYLSRUSA-N 397.544 2.863 0 1 GFAF COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 36384248 BCLFEMFURSEUMR-XJKSGUPXSA-N 385.420 2.958 0 3 GFAF COc1cc2nc(N3CCC(OCC(C)(C)OC)CC3)nc(N)c2cc1OC 95588094 GRVJSGJEIBQZHY-UHFFFAOYSA-N 390.484 2.640 0 1 GFAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc(OC)cc1 95893859 SHFUOGPGKDYKCR-FSSWDIPSSA-N 395.503 2.964 0 1 GFAF N=C(CF)NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1nn[nH]n1 299868146 QZJOIHJSLRMQEP-KRWDZBQOSA-N 395.442 2.654 0 1 GFAF O=C1OCC2=C1[C@]1(C(=O)Nc3ccc(F)cc31)c1c(-c3ccccc3)n[nH]c1N2 299864381 MJCRAGKJRCNSDV-NRFANRHFSA-N 388.358 2.690 0 1 GFAF CN1CCN(c2ccc(-c3cc4c(Nc5ccncc5)ncnn4c3)cn2)CC1 299832566 PUKKKTSQFKUDAG-UHFFFAOYSA-N 386.463 2.682 0 1 GFAF CC(C)OC(=O)C1(c2nc3nc(Br)c[nH]c-3n2)CC(F)(F)C1 587130709 OTSZMECNZQXLAR-UHFFFAOYSA-N 375.173 2.686 0 1 GFAF Nc1cccc(C(=O)O)c1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587248501 RFGFRJJOSFYXPX-UHFFFAOYSA-N 385.323 2.804 0 1 GFAF N[C@H](N=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193582 MMWRCQAUCSCYMF-HXUWFJFHSA-N 381.436 2.806 0 1 GFAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3ncnn3c2)N1 962697824 MJPSZFMKJIJKQA-UKRRQHHQSA-N 380.301 2.576 0 1 GFAF COc1ccc(C(=O)NCCN2CCCC2)cc1OC1CCN(C(C)C)CC1 12441689 SPMOQRPMRIAJPS-UHFFFAOYSA-N 389.540 2.772 0 1 GFAF Cc1noc([C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1 205121820 UMFQDKMJQQGLEO-OAHLLOKOSA-N 380.452 2.542 0 1 GFAF CCCCOc1nc(N)c2nc(SCC(=O)O)n(Cc3ccccc3)c2n1 1857608987 OPONHEKPJNDCRL-UHFFFAOYSA-N 387.465 2.812 0 1 GFAF CC(=O)Nc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cnccc4[nH]3)C2)cc1 2356299888 PXKKCFDQPGUEOB-LPHOPBHVSA-N 383.427 2.655 0 1 GFAF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccc(F)cc2)CC[C@]1(C)O 2356317628 HJNGIJLMVPSBJG-BDTNDASRSA-N 386.467 2.655 0 1 GFAF CCNC(=O)Nc1nc2cc(-c3ccc4nncn4c3)c(=O)n(C(C)C)c2s1 103263643 OFLZZZOMDACGRE-UHFFFAOYSA-N 397.464 2.890 0 1 GFAF Cc1ccc(C)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 40954630 XMGYRPSHTFBFPX-UHFFFAOYSA-N 389.455 2.952 0 1 GFAF O=C(Nc1cccnc1)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 139718657 RFSSDZNSBWBBLR-UHFFFAOYSA-N 376.363 2.753 0 1 GFAF CCN(CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@]2(C)CCc1ccccc1 96909517 CCYYRIRDVPAGJO-FDDCHVKYSA-N 398.503 2.569 0 1 GFAF O=c1[nH]c([C@@H]2CNC[C@H]2c2ccc(F)cc2)nc2ccc(-c3cn[nH]c3)cc12 95590981 MOUINQTZPZGTJV-ZWKOTPCHSA-N 375.407 2.923 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C(=O)NC(C)C)C1CCCC1 95895749 FQHHBQGTLDJKSJ-NJYVYQBISA-N 387.524 2.724 0 1 GFAF COc1cc2c3c(c1)O[C@](CSc1nc(O)cc(O)n1)(C1CC1)[C@@H](C2)C3=O 587453445 SLXYIUTVXLYZGP-HXPMCKFVSA-N 386.429 2.585 0 1 GFAF CC(=O)Nc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CC(=O)O)cc1 587650574 NXNKCPZTSIXKEJ-UHFFFAOYSA-N 386.429 2.824 0 1 GFAF CN(Cc1nc2ccc(Br)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170364 RQROVGARMVUZOV-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF CNS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586946637 NOJJTLLEKKMLPF-UHFFFAOYSA-N 395.387 2.578 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCO4)CCC(O)CC1 587237253 OIGYHLVVXKCSPK-UHFFFAOYSA-N 375.425 2.947 0 1 GFAF NC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581053 UWBBWHYKLRXRQU-SIKLNZKXSA-N 391.379 2.959 0 1 GFAF CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587386823 LHFNSPMKRPIAGX-HXUWFJFHSA-N 392.452 2.759 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2ccccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587401912 ZXDPIUQZWOZNSW-OAQYLSRUSA-N 383.400 2.579 0 1 GFAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cnnc(O)c4[nH]3)c2)cc1 586930840 ICBKIVKIDFKZJJ-UHFFFAOYSA-N 395.444 2.859 0 1 GFAF CCOC(=O)[C@@H]1COC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357349 NADLENRAXASVLV-MDKPJZGXSA-N 386.375 2.839 0 1 GFAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cccc(O)c4[nH]3)cccc12 586941866 OWFPEZUJZQTGSF-UHFFFAOYSA-N 396.472 2.966 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587008614 ZHKFTFFIQFZIPH-UHFFFAOYSA-N 387.646 2.688 0 1 GFAF CN1C(=O)C[C@H]2CN[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)c3cccc1c32 963034353 RFVHUKVFWKNMDY-WHEQGISXSA-N 375.428 2.744 0 1 GFAF CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)c1ccc2cc(C)ccc2c1 13473331 XXJSMQKJAJSHJN-GUKSKWGUSA-N 394.471 2.892 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C(=O)O)cc3[C@H]2C(=O)O)ccc1O 15153043 JTHPLBUVRLOJBB-UCJZHXCISA-N 386.356 2.809 0 1 GFAF endogenous,in-man O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@H]([C@H]6[C@H]51)N2Cc1cccc(I)c1 169295956 CAYMCWKKHULDBH-CKZKSATBSA-N 391.252 2.552 0 1 GFAF CN1CC[C@@H](CN(C)Cc2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1 167427658 OMKVIACUQYBDSS-QGZVFWFLSA-N 398.526 2.762 0 1 GFAF COC(=O)c1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1 200776538 PQSBJGDPJKGBTP-UHFFFAOYSA-N 384.413 2.526 0 1 GFAF O=C1NC(=O)[C@@H](Cc2ccc(OCCn3c(CO)nc4ccccc43)cc2)S1 1857638390 IGUTWXTYTPRLDV-QGZVFWFLSA-N 397.456 2.502 0 1 GFAF COc1ccc2c(C(=O)N[C@@H](CC(=O)O)C(=O)O)cccc2c1C(F)(F)F 28381143 BZAQDSSSAOVZBH-NSHDSACASA-N 385.294 2.525 0 1 GFAF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 28878946 DVRGLLCBTUAOBC-UHFFFAOYSA-N 382.439 2.536 0 3 GFAF CCN(CC)CCNC(=O)c1ccc2c(=O)n(C3CCCC3)c(S)nc2c1 20643845 XHARBUCJSZOUBM-UHFFFAOYSA-N 388.537 2.872 0 1 GFAF Nc1ncncc1NC(=O)CCCCSc1nc(-c2ccccc2)cc(=O)[nH]1 29053481 UJARYLTZSYUPGW-UHFFFAOYSA-N 396.476 2.710 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)C[C@]23CC[C@@H]2C[C@](C)([C@H](O)CO)C[C@H](O)[C@]2(C)[C@@H]13 2356638987 ZSNIMPKKVQQYAC-LWPBJLMXSA-N 380.525 2.655 0 1 GFAF C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(N)=O 28711093 YPTXYDHKDASCQQ-GJGATLCTSA-N 394.493 2.589 0 1 GFAF C[C@@]1(C(=O)NCc2cccs2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61929825 MYKYVRLEXMPWHN-NRFANRHFSA-N 393.468 2.919 0 3 GFAF COc1c(O)cc2c(c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@H]21 14438253 OADZLSQNPZPBEF-GXFFZTMASA-N 376.361 2.742 0 1 GFAF biogenic NC1=N[C@](c2cccc(-c3cccnc3)c2)(C2CC2)C(=O)N1C1CCOCC1 218748461 AUMCPLQPYBUECX-QFIPXVFZSA-N 376.460 2.690 0 1 GFAF C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccccc3)c(=O)n21 82210810 YPMLYNUGNXDSJK-CQSZACIVSA-N 380.423 2.796 0 1 GFAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(OC)C2=O)cc1 141047022 KBCDUIFUVPCHDS-UHFFFAOYSA-N 399.399 2.562 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)c4ccccc4)CC(=O)N3[C@H]2CO)cc1 95866182 VEPFCBZYAVFBSZ-FWAYVXCZSA-N 376.456 2.531 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(F)cc1 95794897 MWGJDOOTXHORJC-LEWJYISDSA-N 397.494 2.960 0 1 GFAF O=C1N[C@H](CSC23CC4CC(CC(C4)C2)C3)N[C@@H]2C[C@H](C(=O)O)CC[C@H]12 618014393 NIWGRKFNYIWXJH-VUEQUFGUSA-N 378.538 2.603 0 1 GFAF CN(CC(=O)N1CCOCC1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 473155234 QOTNSTDOIMKWOE-UHFFFAOYSA-N 377.444 2.766 0 1 GFAF COc1cccc(NC(=O)Oc2ccc3c(c2)C(=O)N2CCCN=C2N3C)c1 299834378 XGVQBQUDJBASND-UHFFFAOYSA-N 380.404 2.958 0 1 GFAF CC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(OCC(=O)O)=CO1 587617503 PXRSAMYIIUXFIX-NQIIRXRSSA-N 396.351 2.969 0 1 GFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(OCCN(C)C)cc2[nH]1 587225115 NQOGONLKCNPYMW-OAHLLOKOSA-N 382.464 2.587 0 1 GFAF Cc1c(Br)cnc2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc12 586961982 MZXSYTSLNGLLQG-LURJTMIESA-N 381.259 2.960 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587109977 ZAKOWAPHGSLSSM-UHFFFAOYSA-N 385.323 2.594 0 1 GFAF O=C(O)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1O 962976781 OHHIPRMSEUZWLE-IAQYHMDHSA-N 383.734 2.710 0 1 GFAF Cc1nn([C@H](C)C(=O)NCCCc2ccccc2)c(=O)c2cc3occc3n12 5149518 QUWPWWKCQMOYAM-CQSZACIVSA-N 378.432 2.861 0 3 GFAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C2(C(N)=O)CC2)cc1 11843660 WZONZCIKEIFKDZ-KRWDZBQOSA-N 380.492 2.929 0 3 GFAF COC(=O)c1ccc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)cc1 12597036 QWKGPJQXTBQZCX-FQEVSTJZSA-N 394.471 2.571 0 3 GFAF C[C@H](CN1CCN(c2cccc(Cl)c2)CC1)Cn1nc2ccccn2c1=O 13782779 FGQBZZXQUXZMDJ-MRXNPFEDSA-N 385.899 2.608 0 1 GFAF CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1 14945652 MFSHKDFBOXWXRZ-UHFFFAOYSA-N 396.472 2.889 0 1 GFAF Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(OCCN2CCOCC2)n1 1857580799 UIIJBHBXLJPGSH-UHFFFAOYSA-N 398.492 2.758 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2ncn(c2Cl)CC=CCOc2ccc(Cl)c1c2 1857626686 QUDCZXQWFLQTLO-AWEZNQCLSA-N 396.230 2.564 0 1 GFAF CCc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2nncc-2c1O 101573013 RFTFTXHGSGRUMN-UHFFFAOYSA-N 383.477 2.750 0 1 GFAF CCCSc1nc(N(C)C)ncc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101550232 VQFHRWVKAMEZEK-PSYZNZIISA-N 390.553 2.714 0 1 GFAF CO[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@@H]3C5 101483241 DRJFACWZQYBMLO-HLDXESMWSA-N 383.488 2.647 0 1 GFAF CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CCN(CC2CCC(C)CC2)CC1 199369628 CWVZOTONFNPZFE-QLOJAFMTSA-N 377.573 2.898 0 3 GFAF O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@H]1c1ccccc1 49114874 CMEICMKJASGPDF-KRWDZBQOSA-N 384.486 2.960 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)nc1n2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1 43077509 YYDFYJDBXOSJHE-WBMJQRKESA-N 388.393 2.823 0 1 GFAF O=C(COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCOCC1 144819338 UGXSKPGLXLVTRI-LJQANCHMSA-N 393.361 2.703 0 1 GFAF CC[C@@H](NC(=O)c1cc(C(=O)N2C[C@H]3C[C@H]3C2)n2c1COCC2)c1ccccc1 146138246 SROGUBHYXATGDY-ZIFCJYIRSA-N 393.487 2.991 0 1 GFAF CCCNC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O 95894863 BRJDXNPJZHGCOW-QHAWAJNXSA-N 385.508 2.638 0 1 GFAF CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CCCCC1)C2 95796706 PSCGPEDQCGKLHW-VQTJNVASSA-N 399.535 2.728 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(n2)NC(=O)CO3)N1 587792152 LMOWXFQWLBXPCT-VPTHRUTESA-N 392.228 2.938 0 1 GFAF Oc1nc(O)c2ccc(CCc3ccc(I)cc3)nc2n1 587369436 HUPLCXZVEDZTBF-UHFFFAOYSA-N 393.184 2.826 0 1 GFAF CN(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929022 PHEBJQJILLWCNZ-UHFFFAOYSA-N 397.815 2.874 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5nc(O)[nH]c5cc4[nH]3)cc12 587038825 SZOPHBCUHMEHBC-MRVPVSSYSA-N 395.448 2.892 0 1 GFAF CCOc1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)ccc1OC(C)=O 963487925 FIVSYSHBEJORLB-MGPUTAFESA-N 385.416 2.713 0 1 GFAF Cc1cc2c(cc1O)[C@](CC(=O)c1ccncc1)(C(F)(F)F)N[C@H](C(=O)O)C2 963524224 KBDCHWKIGMUGTN-KBXCAEBGSA-N 394.349 2.725 0 1 GFAF CCOC(=O)c1cc([C@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)nn1C 962577824 WHVNJAQBYPSXHW-ZSEKCTLFSA-N 387.480 2.754 0 1 GFAF COC(=O)c1cccc2c1[C@@H](N=O)C(=O)N2Cc1cc(F)cc2c1OCOC2 169722247 ONRPIAXQYQNTRG-MRXNPFEDSA-N 386.335 2.833 0 1 GFAF CN[C@H]1C[C@H]2c3cc(-c4ccc5c(c4)OCO5)ccc3CCN2C[C@H]1[C@H](C)O 203467213 RVZAMKMWGCLFEE-CXTHYWKRSA-N 380.488 2.970 0 3 GFAF NCc1cc(OCc2cccc(C(=O)NCc3cc4ccccc4[nH]3)c2)ncn1 1857541520 QZBAMMYAFKOMQR-UHFFFAOYSA-N 387.443 2.926 0 1 GFAF C[C@H](C(=O)N[C@H]1COc2ccccc2[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 1857602166 DKLUNKKXISSMIY-IWEFOYFVSA-N 377.437 2.592 0 1 GFAF COc1ccc(OC)c(CNC(=O)N(C)S(=O)(=O)c2ccc(C)cc2)c1 1857636278 GKZLQVIKIQMEGU-UHFFFAOYSA-N 378.450 2.543 0 1 GFAF O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 2966611 MRBZPBFJTQBNLJ-UHFFFAOYSA-N 395.864 2.690 0 1 GFAF CCC(=O)N1[C@@H](C(=O)NCc2ccc(CC)cc2)CSC12CCN(C)CC2 6943631 HQCUQAWIPLHHIQ-GOSISDBHSA-N 389.565 2.641 0 1 GFAF CCCCNC(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 103264662 UXRVUBGJJWCPHZ-MRXNPFEDSA-N 386.493 2.852 0 1 GFAF CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccccc3)c2C1)c1ccccc1 53296739 JVCBQSOUOIKMMH-SFHVURJKSA-N 376.416 2.892 0 1 GFAF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(F)cc1)C1=C(O)c3ccccc3C1=N2 103521825 WORMKJMLNFSLAR-HNNXBMFYSA-N 389.386 2.772 0 1 GFAF CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccc(Cl)cc4)c3c2)CC1 64448103 DQNLEFXARPCXPX-UHFFFAOYSA-N 390.896 2.801 0 1 GFAF C[C@]12CC(=O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2356523415 QVOASVIYQDJABT-ZOGUFKJDSA-N 388.504 2.783 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646768 QQJNIQAYUUHBGC-CABCVRRESA-N 388.416 2.698 0 1 GFAF biogenic O=C(O)CCCN1Cc2ccc(NC(=O)CCCC3CCNCC3)cc2C1=O 72105041 AQSXMTXMVQZUQU-UHFFFAOYSA-N 387.480 2.616 0 1 GFAF CNc1nc(N2CCC[C@@H]2C(=O)OC(C)(C)C)nc2cc(OC)c(OC)cc12 82131216 QUOVLEUWNQTNKO-CQSZACIVSA-N 388.468 2.999 0 1 GFAF CN(C)CCOC(=O)CN(C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085840 TXOMLFUKEJIFTG-UHFFFAOYSA-N 381.432 2.672 0 1 GFAF Cc1ncccc1-c1ccc2c(c1)[C@@]1(COC(N)=N1)C1(COC1)C1(CCC1)O2 220714933 UJNYDVRLOOXJNH-QFIPXVFZSA-N 377.444 2.929 0 1 GFAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccnc3)cc21 95562408 KCMWAPOMUSTVQY-INIZCTEOSA-N 382.416 2.911 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1C(=O)CCC1=O)(c1ccccc1F)O2 587387122 ZQHLRLSXGWXLOO-OAQYLSRUSA-N 382.391 2.726 0 1 GFAF O=C(N[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)O)OCc1ccccc1 587203748 SRUQBKMMMNRMKZ-ZDUSSCGKSA-N 375.331 2.763 0 1 GFAF CCOC(=O)Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587756333 DBXNMVUJLOGIIT-BMLIUANNSA-N 396.260 2.971 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(I)cnn1C)O2 587386720 LTJYTWRLAKKXEG-LBPRGKRZSA-N 383.189 2.622 0 1 GFAF COc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2n1 587188846 XTFHWTJOTRBIBY-UHFFFAOYSA-N 391.172 2.886 0 1 GFAF N=C(N)c1ccc2oc([C@@H](Cc3ccc(O[C@H]4CCNC4)cc3)C(=O)O)cc2c1 13735952 MPFABBYVBCPCKC-ZWKOTPCHSA-N 393.443 2.868 0 1 GFAF COc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)OC(C)(C)[C@H](O)C2 14559825 JHGBGRLHQJNGPN-GOSISDBHSA-N 384.384 2.954 0 1 GFAF endogenous,in-man CC(=O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@H]12)[C@](O)(CO)C3 1857603843 RRVVKUVNNLGQOO-ZOAXJRIWSA-N 378.509 2.865 0 1 GFAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOCCO)cc1 2483828 MXNXPNDNWAHCCO-UHFFFAOYSA-N 376.453 2.777 0 1 GFAF C[C@@H]1CCCCN1C(=O)CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 6806514 URICFFKKPPYXOH-OAHLLOKOSA-N 396.491 2.853 0 1 GFAF CSc1nn(-c2ccccc2)c2nc(Nc3ccc(F)cc3)n(N)c(=O)c12 103206246 WMBYTWWGFCHQEP-UHFFFAOYSA-N 382.424 2.901 0 1 GFAF Brc1ccc(Nc2nc(N3CCOCC3)nc3[nH]cnc23)cc1 53313929 WWPNENPQTCFENR-UHFFFAOYSA-N 375.230 2.696 0 1 GFAF O=c1c2ccccc2nc2n1-c1ccccc1[C@]2(O)OCCOc1ccccc1 26393324 YYINXSVUYCXIPZ-QHCPKHFHSA-N 386.407 2.988 0 1 GFAF CCCCC(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)[C@@H]3CO[C@H](CCC(C)C)[C@H](O)[C@H]3C[C@H]12 2356721767 NUKSXBQXIWCMAT-NKAZEPNHSA-N 394.508 2.695 0 1 GFAF CO[C@H]1O[C@@H](OC)[C@]2(O)[C@@]1(O)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 36471571 ZREXTCZRHMQYKD-MDUGNMNQSA-N 396.524 2.646 0 1 GFAF COc1cc(C(=O)C[C@H]2C[C@@H](O)C[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 1911572678 FIMXVJFMEUADOE-CLCXKQKWSA-N 388.416 2.969 0 1 GFAF Cc1n[nH]c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3ncccc3O4)cc12 49112717 AWDUCGUPVPPYFH-UHFFFAOYSA-N 376.416 2.907 0 1 GFAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 82204719 BKCPUBNHBDSRTP-UHFFFAOYSA-N 383.279 2.859 0 1 GFAF CCCCCCNC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(C)cc1 96020326 STUCJAXJARYFFM-SFHVURJKSA-N 398.594 2.939 0 3 GFAF CC(C)NC(=O)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N(C)[C@@H]2CO 95878605 ROLSNKBZZJBICT-MAZHCROVSA-N 382.302 2.741 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)c2ccncc2)cc1 95895009 UEFOLBWVTVSDRS-ZNZZYNIOSA-N 393.487 2.610 0 1 GFAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(-n5cnnn5)cc4[nH]1)(C3)C2 587951441 VFHYQFKRZRWXJP-LWYUSKRHSA-N 378.436 2.692 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)O2 587388193 XMGBKPNKFJQKMG-YJYMSZOUSA-N 378.425 2.669 0 1 GFAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(O)ncnc3[nH]2)cc1 586949937 ICYZHKZLQJFEKI-UHFFFAOYSA-N 381.417 2.835 0 1 GFAF CCOC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587756334 DBXNMVUJLOGIIT-BTDLBPIBSA-N 396.260 2.971 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2S(C)(=O)=O)N1 587837997 AQNOYNVOSXJVMK-RFAUZJTJSA-N 387.274 2.821 0 1 GFAF NC(=O)NCCC[C@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587259860 NTUIEFXFMWYKOB-QMMMGPOBSA-N 394.195 2.793 0 1 GFAF C[C@]12CCC(=O)C[C@@]1(O)CC[C@]21N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962763460 KPOIXOUMAQUMLP-DSLXNQLJSA-N 381.394 2.812 0 1 GFAF N=C(N)c1ccc(CNC(=O)C2=C(C(=O)N3CCc4ccccc43)CCC2)cc1 13493937 ANQSPHLEUCBLKC-UHFFFAOYSA-N 388.471 2.657 0 1 GFAF COC(=O)[C@@]12C[C@H]3C[C@H](CCN(C)C)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 13522318 WUYGHHRQOSQDIC-RUHLTRSKSA-N 381.520 2.797 0 1 GFAF in-vivo CCc1cc(O)n2nc(NCc3cc(Br)ccc3OC)nc2n1 15668960 BUGUQPZEXJINDD-UHFFFAOYSA-N 378.230 2.776 0 1 GFAF COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1O 167753744 UMFXGZZFBGOLHY-KRWDZBQOSA-N 383.356 2.506 0 1 GFAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H]([C@@H]1CC=CCC1)NCC3 209529300 BWTDWMAKXZWFIU-QAPCUYQASA-N 390.487 2.706 0 1 GFAF NCc1cc(Oc2cccc(C(=O)N3C[C@H](F)[C@H](O)C3)c2)nc(C(F)(F)F)c1 1857573200 ODGXXYXJORZPHE-UONOGXRCSA-N 399.344 2.506 0 1 GFAF O=C(O)C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356352512 VCPVZQKFBFFPAM-SJORKVTESA-N 392.459 2.683 0 1 GFAF O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@@H](Cc2ncc[nH]2)NC1=O 101489443 DAATYZFKUMYJPO-MRXNPFEDSA-N 380.448 2.949 0 1 GFAF COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12 113652729 UIEHXCCYHAUOFD-UHFFFAOYSA-N 377.857 2.976 0 1 GFAF CCCN(C)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 26984971 CRJKDPUUJDEQAN-UHFFFAOYSA-N 378.230 2.816 0 1 GFAF Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1[C@H](c2ccccc2)C[C@@H](O)[C@@H]1O 2356536362 SYKDGTAGSPMVHK-NLEAXPPASA-N 378.428 2.658 0 1 GFAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 2356559943 KRAGWAXBWDXNLG-JYAXBFRTSA-N 386.540 2.629 0 1 GFAF CCCCc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CC2CC2)cc1 61896307 UUPPJOVKNMHFLL-HXUWFJFHSA-N 392.521 2.625 0 3 GFAF O[C@H]1[C@H](O)CO[C@@H](n2cc(Cc3cccs3)c3c(Cl)cccc32)[C@@H]1O 66105177 IAXWTCARUQWWGG-BZZMCLGOSA-N 379.865 2.559 0 1 GFAF COc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1 34613034 XMJLRJGZWLNVQK-UHFFFAOYSA-N 381.432 2.881 0 1 GFAF O=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl 38358437 VWEPNTVYMUTNBW-UHFFFAOYSA-N 375.856 2.905 0 1 GFAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1 34729381 URTJMLCOGKHVDK-PVYVRIBNSA-N 398.411 2.746 0 1 GFAF biogenic,in-vitro CCOC(=O)C1=C(OCC)C(=O)O[C@H]1c1c(Cl)c2ccccc2oc1=O 1911578433 BHNUYBKONCLZOA-AWEZNQCLSA-N 378.764 2.898 0 1 GFAF CCCCOC(=O)COC(=O)CNC(=O)c1csc(Nc2ccccc2)n1 82085001 XSSZIHARMNWSOL-UHFFFAOYSA-N 391.449 2.503 0 1 GFAF CN(CCCc1ccccc1)Cc1cn(C[C@@H](O)COCc2ccccc2)nn1 82156961 AVTMKKUVLLHTMQ-HSZRJFAPSA-N 394.519 2.920 0 1 GFAF NNc1nnc2c(n1)n(-c1ccc(Cl)cc1)c(=O)n2-c1ccc(Cl)cc1 45316767 CGHZADSQFFUGOC-UHFFFAOYSA-N 388.218 2.559 0 1 GFAF CC(C)(Cc1cc(F)cc(F)c1)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 45253199 GPMLMUUTSBYUPA-MRXNPFEDSA-N 392.402 2.646 0 1 GFAF OCC1CCN(c2nccnc2C2CN(c3ccc4cccc(F)c4n3)C2)CC1 145251655 KMFDOMQYESYBNV-UHFFFAOYSA-N 393.466 2.976 0 1 GFAF NC(=O)c1sc2nccc(N3CCCN(c4ccc(F)cc4)CC3)c2c1N 95601226 YHNYXRIHACHTDB-UHFFFAOYSA-N 385.468 2.833 0 1 GFAF N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccn2CC(=O)NCc2ccccc2)cc1 653765506 BABPLSZJPJSAGU-VQTJNVASSA-N 388.471 2.871 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587833950 JCXSJBLWAWBLAF-ZMNCSTGQSA-N 386.261 2.917 0 1 GFAF Cc1cnc2[nH]c(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)nc2c1 586944986 AHLTWVVZMYXLKV-AWEZNQCLSA-N 386.477 2.699 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cnn(C)c2)N1 587765789 UEGMHCGZZAGFCW-QGHHPUGFSA-N 396.260 2.964 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]1[C@H]2CN[C@H]1C(=O)O 587592855 HRNZZDIPHXKEQG-VGVSVYICSA-N 395.411 2.565 0 1 GFAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c[nH]c(=N)[nH]c-3n1)N2 587030446 FHGLPEKJNAAQFK-SMSHQHMSSA-N 387.494 2.844 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1 587250273 LSAHIGJEXSAOSH-UHFFFAOYSA-N 388.449 2.589 0 1 GFAF C[C@]1(n2cc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cn2)CCS(=O)(=O)C1 963097831 NRYCYMIAHBFOKC-IHPCNDPISA-N 389.496 2.666 0 1 GFAF Cc1ccc(C2=C(C(=O)NS(C)(=O)=O)C(=O)N[C@](C)(CCC(C)C)C2)cc1 1772627596 BRDOTSZAPWKSOP-HXUWFJFHSA-N 392.521 2.539 0 1 GFAF CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 760313 FEQYZDLIDLKROK-DOTOQJQBSA-N 389.496 2.811 0 1 GFAF Cn1c(C(=O)O[C@@H](C(=O)NC[C@H]2CCCO2)c2cccnc2)cc2sccc21 4924036 WEKVSVGTEWJQEU-RDTXWAMCSA-N 399.472 2.828 0 3 GFAF C[C@H]1CCCC[C@H]1NC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1 4956063 XPMBAMATSNRVFM-MAUKXSAKSA-N 395.503 2.803 0 3 GFAF C[C@@H]1/C(=C/c2ccccc2)[n+]2cccc(OCCCC(=O)O)c2[C-]1CC(N)=O 53650933 WNFFWMIYUBFDMI-LUJRCDHRSA-N 380.444 2.663 0 1 GFAF C[C@]1(O)CCN(Cc2cncnc2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289427 VQRMGEKHQDZJGS-GIWBLDEGSA-N 394.519 2.850 0 1 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncc[nH]4)C[C@H]3C2)n1 116828035 QEVBCAXNRGHXGN-CALCHBBNSA-N 388.475 2.692 0 1 GFAF CC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3ccc(F)cc3)cc21 28963372 IFSKQGBTBUONHD-UHFFFAOYSA-N 376.413 2.596 0 1 GFAF CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@H]3CCC[C@@H]4CC(C(=O)O)=C(C1)[C@@]342 103524948 WNZYQAQATAVYPE-YAWSHKFXSA-N 398.551 2.793 0 1 GFAF biogenic,in-vitro O=C1c2[nH]c(Br)nc2N(Cc2ccc(Cl)cc2)C2=NCCN12 28223335 QKCHXTQUKZWKDO-UHFFFAOYSA-N 380.633 2.658 0 1 GFAF CC(C)(C)NC(=O)NC(=S)NC(=O)COc1ccc(Cl)cc1Cl 28563308 XCAYTDAYWVPJSF-UHFFFAOYSA-N 378.281 2.871 0 1 GFAF CC(C)S(=O)(=O)N1CCC[C@H](c2cc(C(=O)NCc3ccccc3)no2)C1 61908392 LHIPDOKHOBZGCJ-INIZCTEOSA-N 391.493 2.522 0 3 GFAF COc1cc2c(c3c1OCO3)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2 5160414 RTZOCCKNBIQGFS-OAHLLOKOSA-N 383.400 2.583 0 1 GFAF biogenic CC(=O)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1 40424074 LILZBQJGXXRVSP-AWEZNQCLSA-N 386.477 2.590 0 1 GFAF CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OC[C@@H]1CCCN1C 82082662 UNWZKGFGSVPJOQ-XJKSGUPXSA-N 391.493 2.795 0 1 GFAF Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(F)(F)F)cn1 45315578 MPLVLOOLHBDAKJ-GFCCVEGCSA-N 392.341 2.785 0 1 GFAF CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1coc(-c2ccc(C)cc2)n1 82070811 SOMYJAYQPISJRG-AWEZNQCLSA-N 388.420 2.655 0 1 GFAF COc1cc(C[C@H]2[C@@H](OC)OC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 85692594 WZOCBGLXULOIIY-CALQCPNCSA-N 390.432 2.626 0 1 GFAF COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1CO 238740295 JCGQYFWURNBHOJ-UHFFFAOYSA-N 390.388 2.744 0 1 GFAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]2C[C@@]3(O)OC(=O)C=C3[C@@H](C)[C@H]2[C@H]1O 618006280 NAUXGSWGHJVNHI-MLJBFQTNSA-N 392.492 2.569 0 1 GFAF biogenic CN1[C@@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339916 QZCHWLZGWQDCSQ-LXVOGGIKSA-N 383.419 2.856 0 1 GFAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441160 JFEVTEOAZINLFD-ZHRRBRCNSA-N 380.396 2.860 0 1 GFAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cnnc(O)c3[nH]2)c1 587154811 RODVVYXTJAXMGR-UHFFFAOYSA-N 385.380 2.665 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2 587395501 NIKTXYUSVSPXEV-JLTOFOAXSA-N 390.436 2.765 0 1 GFAF CCOC(=O)C(=O)C[C@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428401 YVMBFHRGQGBXTO-IVZQSRNASA-N 398.386 3.000 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2S(C)(=O)=O)N1 587838984 FKOQGOVXWRPABN-VFZGTOFNSA-N 387.274 2.821 0 1 GFAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNC2CCOCC2)n1 2356305808 INGUXUFDBQIFBA-YTQUADARSA-N 382.508 2.991 0 1 GFAF COc1cccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@H]2O)c1 2356309610 WCHCCHCBARZTPZ-BSDSXHPESA-N 395.377 2.722 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2CC[C@H]1[C@]3(C)CC[C@H](O)[C@@]1(C)CO 2356326057 UDOUCXFBZBBUEB-UKUMXFBISA-N 378.509 2.577 0 1 GFAF COC(=O)[C@H](Cc1ccc(OCCOc2ccc3c(c2)CCCC3)cc1)C(N)=O 27105584 FQUBVABZMJBUTA-OAQYLSRUSA-N 397.471 2.840 0 1 GFAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)Cc1cc(F)ccc1F 61904434 NYNOYVNMOZESPM-HXUWFJFHSA-N 388.370 2.866 0 3 GFAF CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCCCN 29568409 UFBGJICNPAXIJT-IBGZPJMESA-N 388.512 2.706 0 1 GFAF CN(C)Cc1ccc(-c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)cc1 28644792 KOSRASXRLMWHEB-UHFFFAOYSA-N 396.422 2.686 0 1 GFAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@@H](OC)C4)ncn3)c2c1 225571579 SEVFLLWUPTVAHW-DZGCQCFKSA-N 383.452 2.659 0 1 GFAF FC(F)(F)c1nc(NCCc2ccco2)c2nnn(C[C@H]3CCCO3)c2n1 84690275 GVAZJBFFMRVEGC-LLVKDONJSA-N 382.346 2.667 0 1 GFAF Cc1nn(C)c2cnc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc12 1911585572 RZUHMSVMXBSNEY-UHFFFAOYSA-N 391.262 2.597 0 1 GFAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@@H](CO)c3ccccc3F)c2)n1 89469303 YEHJONFXECVJGC-KRWDZBQOSA-N 383.427 2.814 0 1 GFAF COc1cc(S(=O)(=O)c2cccc([C@H](C)O)c2)cc2c3c(oc12)CCNC3 147536334 BJNXVPZKSSMWHE-LBPRGKRZSA-N 387.457 2.973 0 1 GFAF Cc1nc2cccnc2n2c(-c3cc([C@]4(O)CCOC4)ccc3Cl)nnc12 145746795 WFYXGWWALYXGKE-IBGZPJMESA-N 381.823 2.909 0 1 GFAF COc1ccc(C[C@@H]2CCn3nncc3COC[C@H](CC(C)C)NC2=O)cc1 95662733 DFMXELOUOUTAGW-ROUUACIJSA-N 386.496 2.597 0 1 GFAF CN1CCC[C@H](Nc2ccnc(-c3c[nH]c4ccc(-c5nnc(N)o5)cc34)n2)C1 145422462 WIAJWDVLVSAMRU-ZDUSSCGKSA-N 390.451 2.763 0 1 GFAF C/N=c1\c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(O)oc2ccccc12 617997453 FNJAWNOWQCZZMU-QETBKQIWSA-N 391.427 2.969 0 1 GFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(Br)c2[nH]1 586957952 GGRIFFOUCBKLRX-HNNXBMFYSA-N 396.266 2.794 0 1 GFAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cnccc4[nH]3)cccc12 586941251 IAVCTPLWRFJEOY-UHFFFAOYSA-N 381.461 2.656 0 1 GFAF CCOC(=O)[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587762052 CTOJZSFQLZYNRK-BTDLBPIBSA-N 396.260 2.663 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@]1(C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)NCC2 962924184 NTTYPBZTJVLHAS-DXIQSLLYSA-N 382.508 2.755 0 1 GFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)OC)c2cn1)c1ccccc1 1772613347 UAKIVOCLIHCZHT-CQSZACIVSA-N 384.396 2.645 0 1 GFAF Cn1nc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NS(C)(=O)=O)cc21 1857571759 ADEVOKHVTSQTBX-UHFFFAOYSA-N 397.378 2.949 0 1 GFAF CC1(C)C=Cc2c(cc(O)c3c2O[C@@H]2C(=O)[C@@]4(C[C@@H]2C3=O)OC(=O)CC4(C)C)O1 1857632424 XTCMLRXJRULZJN-ITNPVFTCSA-N 398.411 2.821 0 1 GFAF CCOC(=O)C1CCN(C(=O)c2cccc(Oc3ccc(C(N)=O)cc3)c2)CC1 1857751393 URKPVAZPUPFVGX-UHFFFAOYSA-N 396.443 2.993 0 1 GFAF COc1ccc(-c2noc(C)c2C(=O)NCCO)cc1OCc1ccccc1 2484549 TUASJJDUFKWFHG-UHFFFAOYSA-N 382.416 2.960 0 1 GFAF CO[C@@H](c1ccccc1)[C@H](O)CN1CCN(C[C@H](OC)c2ccccc2)CC1 22463117 VSTNNAYSCJQCQI-VJBWXMMDSA-N 384.520 2.740 0 1 GFAF in-man COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@H]2C(C(C)=O)=COC[C@@H]2[C@@H](C3=O)N1C 14417376 RKVHXLFGCIDETB-LLYILUEJSA-N 380.444 2.864 0 1 GFAF biogenic c1ccc2c(c1)CC[C@H]2Nc1nc(Nc2ccncc2)nc(N2CCNCC2)n1 45245400 QVDAOKRYVCHBRV-GOSISDBHSA-N 388.479 2.519 0 1 GFAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NCc2cccs2)c1=O 25223860 LHDNEDMFILJMPV-CABCVRRESA-N 387.505 2.504 0 1 GFAF biogenic O=C(NC1CC1)c1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1 96176040 BJNLUSQFFADEMS-UHFFFAOYSA-N 377.444 2.883 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC)C(=O)NC1CCCC1 95895115 XYWKURXRWWUHGZ-ZJOUEHCJSA-N 387.524 2.726 0 1 GFAF O=S(=O)(NCCO)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1 95555685 CHZVFENZCVWBMI-UHFFFAOYSA-N 385.367 2.519 0 1 GFAF CCc1cc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cnc1OC 299820525 BQJPZFLREHORGE-UHFFFAOYSA-N 395.467 2.761 0 1 GFAF CCOC(=O)[C@H]1Cc2c(nc(C)n2C)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587391438 RLIMDGDIJGRPBN-ZSEKCTLFSA-N 383.448 2.605 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2CCN(C)CC2)N1 587765958 LKIVERFEHASEEW-SCLBCKFNSA-N 384.337 2.975 0 1 GFAF c1cnc2cc(CN3CCC(c4nnn5cnc6[nH]ccc6c45)CC3)ccc2n1 1772640009 JNDZDAVBXAXRLV-UHFFFAOYSA-N 384.447 2.928 0 1 GFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2C)CCCC4)C[C@@]3(O)[C@H]1C5 13586586 FITWJUAGQFUQPT-IBURTVSXSA-N 392.499 2.528 0 1 GFAF N=c1nc(-c2ccc(OC(F)F)c(O)c2)cc(-c2ccc(-n3cnnn3)cc2)[nH]1 1857552806 FAEVEUZHUVNLIW-UHFFFAOYSA-N 397.345 2.506 0 1 GFAF CN(C)CCNC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 6796554 OXLDUFFVBQAKDH-UHFFFAOYSA-N 383.521 2.574 0 1 GFAF Cc1ccccc1SCc1noc(C(=O)NC[C@@H]2CCCO2)c1C(=O)O 8672405 TXVQRPOJHRMIIU-LBPRGKRZSA-N 376.434 2.882 0 3 GFAF CN(C)CCc1c([C@H](c2c[nH]c3ccccc23)[C@@H](O)CO)[nH]c2ccc(O)cc12 103241726 KYYGLQFKUQDRLE-FCHUYYIVSA-N 393.487 2.944 0 1 GFAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccccc4)cs3)C[C@H]12 29219652 SOKLCCYUDCGIPG-GAJTVXKRSA-N 388.470 2.810 0 1 GFAF O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(Cc2ccccc2)CC1 20356874 CLNBQLJHHYMCST-UHFFFAOYSA-N 388.471 2.787 0 3 GFAF CN(C)CCN(C)C(=O)c1cccc(-c2cc3nc(O)c4ccccc4n3n2)c1 43024822 WQJIDQXIYQNQPX-UHFFFAOYSA-N 389.459 2.889 0 1 GFAF COc1ccc2c(=O)c(-c3ccc(OC[C@H](O)CNC4CC4)cc3)coc2c1 49037344 QRONGSZTGATKJM-MRXNPFEDSA-N 381.428 2.960 0 1 GFAF COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(=O)O 49803616 HRLJXDNIMDPPNN-UHFFFAOYSA-N 397.435 2.659 0 1 GFAF CC1(C)Oc2ccc(-c3ccc4[nH]ncc4c3)cc2[C@]2(COC(N)=N2)C12COC2 149217632 WSZIQFROVOJHOO-JOCHJYFZSA-N 390.443 2.958 0 1 GFAF Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccccc2Cl)C3=O)n1 653747943 HOKYIBPMDIGFHW-UHFFFAOYSA-N 383.795 2.780 0 1 GFAF Nc1ccnc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 587170718 GODGLHAAOOQPCZ-MRXNPFEDSA-N 397.435 2.747 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCNC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587426991 BVNOWTAHRBYVFC-KSFYIVLOSA-N 397.427 2.707 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C)(C(C(=O)OCC)C(=O)OCC)CC2=O 587478505 GFXWMJJOQZBWGT-FQEVSTJZSA-N 378.421 2.811 0 1 GFAF Cc1ccc(-n2cnnc2SCc2nc3c(O)nc(O)nc3[nH]2)cc1Cl 586967917 IWNCWIKNHUIVPQ-UHFFFAOYSA-N 389.828 2.599 0 1 GFAF CS(=O)(=O)Nc1ccccc1Cc1nc2c(F)cnc(Br)c2[nH]1 586949908 GHCIJNNHDXKTRQ-UHFFFAOYSA-N 399.245 2.822 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@@H](c3cccc(CN4CCOCC4)c3)c3cccc1c32 963023904 IZYAVYOMXRVNPM-JPYJTQIMSA-N 377.488 2.662 0 1 GFAF CCc1ccc(NC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1 5148904 WZTSSHKNPJIUMU-UHFFFAOYSA-N 397.504 2.877 0 1 GFAF CNC(=O)[C@@H]1CC[C@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)O1 12405874 FIIWZBDATTWLSY-QWHCGFSZSA-N 386.843 2.515 0 1 GFAF CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4cccc4)cc3n2n1 13532589 NTAKTFDHQMNYGZ-UHFFFAOYSA-N 391.309 2.557 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1C 4148864 WBFXFVHIMIAONG-BFHYXJOUSA-N 390.596 2.843 0 1 GFAF CCCS(=O)(=O)N1CCC(n2c(C(F)(F)F)nc3cccnc32)CC1 8599297 BNGYEEWBFUTXLI-UHFFFAOYSA-N 376.404 2.827 0 1 GFAF O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 28379327 OKNROEDYSYFECH-NUPPDMPBSA-N 390.476 2.950 0 1 GFAF COc1ccccc1N1CCN(Cc2cn3c(O)nc4ccccc4c3n2)CC1 100807409 LXZGNBVSBAMFGA-UHFFFAOYSA-N 389.459 2.919 0 1 GFAF O=C(OCc1cccs1)c1cnn2c1n[n+]([O-])c1cc(C(F)(F)F)ccc12 64453392 LMNWPNUIVKGMNX-UHFFFAOYSA-N 394.334 2.953 0 1 GFAF COc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110652205 MECPUUIBKLQCNP-LSDHHAIUSA-N 397.412 2.604 0 1 GFAF COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@H]1C[C@@]4(O)N(C[C@@H]1C)C[C@H](CC3)[C@@]24C 2356610399 JDKFCQARUSBNFH-LUSPZZPPSA-N 395.455 2.848 0 1 GFAF C[C@@]12C(=O)N(Cc3ccccc3F)CC(=O)N1CCc1c2[nH]c2ccccc12 2112191 FIDFOCPXKFEUHH-JOCHJYFZSA-N 377.419 2.949 0 1 GFAF biogenic COc1c(C)cnc(CN2c3nc(N)nc(Cl)c3NC(=O)[C@@H]2C(C)C)c1C 43123187 KSYFSQOUEJQEMM-ZDUSSCGKSA-N 390.875 2.716 0 1 GFAF CN(C)[C@H]1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)C1 225564584 PWJCTZUJJXGVMM-INIZCTEOSA-N 388.479 2.561 0 1 GFAF C[C@H]1CN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C[C@@H](C)O1 146169439 JGMBEPRRCCMDEG-BETUJISGSA-N 381.423 2.575 0 1 GFAF CC(C)C[C@H](CN)Nc1cc(Nc2cccc(C(C)(C)C)n2)c(C(N)=O)nn1 147494683 MXHGIPNEGMISFM-CYBMUJFWSA-N 385.516 2.797 0 1 GFAF O=C(O)C[C@H]1c2c(ccc3c2OCO3)C[C@@H]2c3cc4c(cc3CCN12)OCO4 238788500 NJFMWKYXTHFFBE-CABCVRRESA-N 381.384 2.815 0 1 GFAF O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cncnc2)ccc1=O 25435767 ULWQFOQGGYKOSJ-ZBFHGGJFSA-N 390.418 2.704 0 1 GFAF biogenic Cc1c(-c2ccc3c(O)nc(O)nc3n2)sc2c1C(=O)N/C(=C\Cl)N2 587564426 SAPLYZYTFFTOJW-XBXARRHUSA-N 375.797 2.666 0 1 GFAF Nc1ccccc1[C@@]1(C[C@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587510252 KDHVGUWOCXYNJT-PGRDOPGGSA-N 380.444 2.810 0 1 GFAF COc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Cl 586957616 CSEPCLFQFVEWSC-MRXNPFEDSA-N 381.841 2.694 0 1 GFAF COc1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 587128515 MAQJYQMWAUVQMM-UHFFFAOYSA-N 391.353 2.995 0 1 GFAF Cc1cnc2[nH]c(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)nc2c1 586944987 AHLTWVVZMYXLKV-CQSZACIVSA-N 386.477 2.699 0 1 GFAF Cc1nc(N(C)C)ncc1-c1nc2ccc(I)cc2[nH]1 587195621 YEGOBJUYWUGRFY-UHFFFAOYSA-N 379.205 2.999 0 1 GFAF COc1cc2c3c(c1)O[C@](c1cccc4cc(OC)ccc14)(C(O)O)[C@@H](C2)C3=O 587443418 QFZNBBREPVRSTP-MBSDFSHPSA-N 392.407 2.811 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cnn(C)c2)N1 587765784 UEGMHCGZZAGFCW-BMLIUANNSA-N 396.260 2.964 0 1 GFAF C[C@H]1CN(c2ccc([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)cn2)C[C@@H](C)O1 962924532 KMQJQTGLJGPHSX-DMPWYTOCSA-N 394.519 2.632 0 1 GFAF CCC[C@]1(CCc2ccccc2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963222013 OWPOPFUQNLARHX-YDHSSHFGSA-N 392.503 2.796 0 1 GFAF CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(CC(F)(F)F)c3ccccc13)C2 1772598172 GAVZYULRCFRPLP-ZIAGYGMSSA-N 381.398 2.795 0 1 GFAF C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(F)ccc3n2)CCN1 1772645911 XDENYPBBMVGONB-LLVKDONJSA-N 395.442 2.547 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@@H](C)C3)c(Cl)c21 13649600 ZOLXCVRUMPNKLP-UWVGGRQHSA-N 381.835 2.699 0 1 GFAF CC(=O)O[C@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O 101678121 SYLGZJOGNOSQOG-HOTGVXAUSA-N 392.839 2.548 0 1 GFAF O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(F)c(Cl)c3)ccc2O1 103262774 RGPOASFPAYLZKT-UHFFFAOYSA-N 378.772 2.815 0 1 GFAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(OC)cc2)=N1 27980588 MRIGXBXXAGIPMT-NVXWUHKLSA-N 390.395 2.652 0 1 GFAF O[C@H]1[C@H](O)CO[C@@H](n2cc(Cc3ccc(F)cc3)c3c(Cl)cccc32)[C@@H]1O 66111551 QPMYOINRLFFLLW-GSEOLPGOSA-N 391.826 2.636 0 1 GFAF Cc1ccc2c(c1)nc1n2[C@H](CNCc2ccc(S(C)(=O)=O)cc2)COC1 2356579734 DCSGQKXMQHRCSA-MRXNPFEDSA-N 385.489 2.609 0 1 GFAF CCCCNC(=O)N1N=C(c2cccc(N)c2)c2cc3c(cc2CC1=O)OCO3 27517882 ZRXIVFRCSHSSHV-UHFFFAOYSA-N 394.431 2.644 0 1 GFAF CC1=COc2ccccc2C(=O)N1CCCCN1CCN(c2ncccn2)CC1 27652922 OHIMWQXBTPNPOS-UHFFFAOYSA-N 393.491 2.775 0 1 GFAF Cn1ccc(NC(=O)c2cn(Cc3ccc(Cl)c(C(F)(F)F)c3)nn2)n1 66074101 ZRBNOTIGSBWAMK-UHFFFAOYSA-N 384.749 2.984 0 1 GFAF O=C(C[C@H]1C/C=C/CCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1 49244645 XOSBLLGXOWRWPW-BCMPFUBYSA-N 392.883 2.752 0 1 GFAF Cc1cc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n(C)n1 45291701 LLIYAZFYRUESNK-FZKQIMNGSA-N 395.511 2.512 0 1 GFAF COc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccccc32)CC1 40917855 DMARDGGKPVOAPE-UHFFFAOYSA-N 380.492 2.941 0 1 GFAF CCCCNc1nc(N2CCC[C@H](C(N)=O)C2)nc2cc(OC)c(OC)cc12 82129192 AEHOYSDKQRLKTI-ZDUSSCGKSA-N 387.484 2.561 0 1 GFAF COc1ccc(OC)c2c1C[C@H]1c3c(OC)cc(OC)c(CO)c3CCN1C2 84689823 CZKLVGGQOUYPKI-KRWDZBQOSA-N 385.460 2.869 0 1 GFAF Cc1nnsc1C(=O)n1[nH]c(COc2cc(Cl)cc(Cl)c2)cc1=O 95552443 LZQQZOCEGHVHQC-UHFFFAOYSA-N 385.232 2.911 0 1 GFAF CCCN1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CNC(=O)COC 95667915 PLSGSNFHWWYQQX-QZNHQXDQSA-N 386.536 2.945 0 1 GFAF O=C(/C=C/CCCC[C@H](O)[C@H](O)c1ccc2c(c1)OCO2)N1CCCCC1 95602516 UEJKTNXAIXCFSD-NAFZGJECSA-N 375.465 2.939 0 1 GFAF CC(C)n1cnc2c(N[C@H](CO)c3ccccc3)nc(N3CCC[C@H]3CO)nc21 95607467 UVDXAWIPPFJUKV-DLBZAZTESA-N 396.495 2.514 0 1 GFAF CCOC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587759087 KFAFMNDPVNDIAT-DYZYQPBXSA-N 396.260 2.971 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CO)c1ccccc12 587770813 RFQGEGUJHXTKIR-MGNBDDOMSA-N 391.240 2.662 0 1 GFAF COC(=O)C[C@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775302 QOIFBTKVIAYHQY-BTDLBPIBSA-N 394.244 2.719 0 1 GFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)[C@H](C)F)[nH]c2c1 587126065 VKTFOYCJJYPTHW-MGPLVRAMSA-N 378.429 2.730 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(N1)C(=O)Nc1cc(Cl)cc(Cl)c12 962915043 AEARRRPFVCLINY-GUYCJALGSA-N 381.190 2.927 0 1 GFAF COc1ccc([C@@]2(CC3OCCO3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963038594 WMFLOSQBZCILOR-NPMXOYFQSA-N 394.471 2.755 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccnc2)CC1 13526359 QTPMSFPRKFKEHH-ZHACJKMWSA-N 394.519 2.822 0 1 GFAF O=C(NC[C@@H]1CCCOC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166223014 MJMWPCKMOYAGBH-HNNXBMFYSA-N 380.448 2.786 0 1 GFAF C=C[C@]1(C)C[C@H](OC(=O)CO)[C@@]2(C)[C@H](C)CC[C@@]3(CCC(=O)[C@@H]23)[C@H](C)[C@H]1O 3954342 ZRZNJUXESFHSIO-PFYUJUJESA-N 378.509 2.885 0 1 GFAF Cc1cnccc1-c1cc(=O)n(C)c(N2CCO[C@@H](c3ccc(F)cc3)C2)n1 103240255 VOVZNUCHHFBWEN-LJQANCHMSA-N 380.423 2.868 0 1 GFAF OC[C@@H]1[C@H](O)C[C@H](NC2CCCCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356288912 MSLIBGXSMBCYQH-CLAROIROSA-N 381.520 2.966 0 1 GFAF Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)cc1 22458162 ISMOUKGBNGPKBE-APWZRJJASA-N 393.578 2.712 0 3 GFAF CN(CCc1ccccn1)CC[C@@H]1CN(C(=O)c2ccco2)CC[C@@H]1CC(=O)O 2356654032 VFRYVLCZPPOAOB-QZTJIDSGSA-N 399.491 2.792 0 1 GFAF CC[C@@H]1CC[C@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc3ccccc23)C1 28892098 HFCVJZGCTXOFHH-SCTDSRPQSA-N 390.549 2.990 0 1 GFAF CC(C)(C)NC[C@H](O)COc1ccc2c(=O)cc(-c3cc(O)cc(O)c3)oc2c1 34660987 MKEJOZCFDMGYSL-INIZCTEOSA-N 399.443 2.999 0 1 GFAF CN1CCN(c2ccc(C(=O)COc3ccccc3Br)cn2)CC1 73168980 UBUUQCDSOIDUIJ-UHFFFAOYSA-N 390.281 2.858 0 1 GFAF COc1ccc(CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 73224049 WZDAWIGJXMPIOQ-LBPRGKRZSA-N 380.441 2.626 0 1 GFAF CCn1ncc2c(NC3CCOCC3)c(C(=O)NCc3ccccc3)cnc21 42878481 QZGJNFBMYYEFGM-UHFFFAOYSA-N 379.464 2.972 0 1 GFAF in-vivo COc1cc(Nc2ncc3c(n2)N(c2ccccn2)C(=O)C3)cc(OC)c1OC 40556794 OOUTWYFGUXUHIG-UHFFFAOYSA-N 393.403 2.862 0 1 GFAF N#Cc1cc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)cnc1N1CCCC1 221216889 BNIHBJJXGBMYHX-UHFFFAOYSA-N 385.431 2.853 0 1 GFAF COc1ccc([C@]23OC[C@]24[C@H](CO)[C@H]4Cc2cc(OC)c(OC)cc23)cc1OC 253634665 IJIWCXXEKDKLBN-ROEJJBDBSA-N 398.455 2.776 0 1 GFAF CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 299873898 AMODCMJMLGQORR-LMMKCTJWSA-N 388.508 2.966 0 1 GFAF O=C1COc2cc3[nH]c(-c4nc(Cl)cnc4Br)nc3cc2N1 587005164 AGYVZAZGXLXEQK-UHFFFAOYSA-N 380.589 2.767 0 1 GFAF Cc1cnc2[nH]c(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 586941606 CLGAFPJCMFJPJB-UHFFFAOYSA-N 395.488 2.964 0 1 GFAF CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437340 YDIFSAUQWSALNM-VVBPWWLESA-N 379.412 2.777 0 1 GFAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cccnc3[nH]2)c1 586951399 LIGWEEBNWVRLOJ-UHFFFAOYSA-N 393.266 2.828 0 1 GFAF COc1cnc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)nc1 963180616 NOLIMWRLXDRYNB-OLZOCXBDSA-N 387.745 2.846 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@H]2[C@H]4[C@@H]3[C@H]21 963603869 CKDLACSZVKQZGZ-FSOOHIOASA-N 395.499 2.564 0 1 GFAF C[C@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC(Oc2cccnc2)C1 1772587208 AGVGRWHSTZUYHG-CYBMUJFWSA-N 380.452 2.866 0 1 GFAF COC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1c1ccc(N(C)C)cc1 12478590 ZJOJAZYIIBVMCL-INIZCTEOSA-N 378.425 2.705 0 3 GFAF CC[C@@](O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 13730912 WZAOXRLRCQESBE-HXUWFJFHSA-N 376.451 2.955 0 1 GFAF Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4c(=O)o3)nc2c(C)n1 205042451 IJTUIAVNGJAVKK-UHFFFAOYSA-N 389.459 2.871 0 1 GFAF Cc1cc(N(C)C)nc(NC2CCN(C(=O)Cc3ccc(F)cc3F)CC2)n1 1857651586 DKLOJRWVPZGBFY-UHFFFAOYSA-N 389.450 2.775 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1c[nH]c2ccccc12 3591506 HUDSKKWGJUYXGT-UHFFFAOYSA-N 397.381 2.613 0 1 GFAF Cc1ccc(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1F 4875972 IROWIFGDHICMHF-UHFFFAOYSA-N 381.407 2.594 0 3 GFAF Cc1nn(CCCC(=O)N2CCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12 6944502 GELXQBTYRMSWDS-UHFFFAOYSA-N 379.464 2.602 0 1 GFAF O=C(NCC(=O)N(CCCO)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1 28137640 MDRNOVDGULEHLR-UHFFFAOYSA-N 377.872 2.705 0 1 GFAF Cc1ccc(Cl)c(N2C(=O)C(Cl)=C(N3CCN(C)CC3)C2=O)c1Cl 64528073 FOCUDMADBACNHZ-UHFFFAOYSA-N 388.682 2.873 0 1 GFAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccncc1 2356302564 ZENKZFSDFRRVRC-DYXWJJEUSA-N 393.443 2.618 0 1 GFAF O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](CO)N3CC(F)(F)F 29044744 SVKIYJFOWYPEHJ-ZETCQYMHSA-N 382.260 2.669 0 1 GFAF c1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccccn3)n2)nc1 25336984 XMKFBIXHVWGNNH-UHFFFAOYSA-N 376.464 2.735 0 1 GFAF CC(=O)O[C@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356412499 RONVFHDKERFTPP-PENFCYBUSA-N 394.552 2.899 0 1 GFAF COCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 28521301 HNRMCYIVTNHEQZ-LNBJIWCKSA-N 384.513 2.669 0 1 GFAF CC1(C)CCC[C@]2(CO)C3=C(C[C@H](OC(=O)c4ccc(O)cc4)[C@H]12)C(=O)OC3 2356717370 PTADPNLCURKKPJ-SVMVAKDDSA-N 386.444 2.980 0 1 GFAF CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc2)c1 73141624 NSVJGLXRUVWJIZ-GOSISDBHSA-N 390.461 2.700 0 1 GFAF O=c1[nH]cnc2[nH]c(-c3ccnc(-c4ccc(CN5CCOCC5)cc4)c3)cc12 35286121 XZRFKEAJVYSCFA-UHFFFAOYSA-N 387.443 2.812 0 1 GFAF CN(Cc1cn(C[C@@H](O)COC(=O)C2CCCCC2)nn1)CC1CCCCC1 73197198 CLMFHXGDTKDLID-HXUWFJFHSA-N 392.544 2.775 0 1 GFAF COc1cc([C@H]2c3ccccc3C(=O)N3C=CN(C(C)=O)C[C@H]23)cc2c1OCO2 13918892 XXMYEEZJCBJUQK-XLIONFOSSA-N 392.411 2.714 0 1 GFAF biogenic CC(C)[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82227973 HQAQEMVVMGYOPE-KRWDZBQOSA-N 398.438 2.853 0 1 GFAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccco2)C1 82142618 JCEBGHMVNZYVIH-ZBFHGGJFSA-N 399.495 2.935 0 1 GFAF CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)cn2)s1 199000200 LCEDLYXMESTPDJ-KRWDZBQOSA-N 393.468 2.839 0 1 GFAF C[C@@H](O)[C@H]1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)C1 225553941 PKMNBMNENSNPSE-HIFRSBDPSA-N 389.463 2.628 0 1 GFAF CCN(CC)CCNC(=O)[C@H]1C(C)=NC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C 95598680 WZIXOZNAMZUGQS-MJLBXUHQSA-N 398.482 2.984 0 1 GFAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN[C@H](CO)C3 143482905 YKTAGICKDMROTR-NSHDSACASA-N 377.849 2.926 0 1 GFAF O=C(c1ccc(Cl)c(F)c1Cl)N1CCn2c(nnc2-c2ccncn2)C1 95565600 ZIPLPYGIRYAFHV-UHFFFAOYSA-N 393.209 2.837 0 1 GFAF O=S(=O)(Nc1nc(C2CCC2)n[nH]1)c1cnccc1N[C@H]1C[C@H]2CC[C@H]1C2 299813514 CWSNZLKGGODPSS-WHOFXGATSA-N 388.497 2.869 0 1 GFAF O=C(c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1)N1CCCC1 653810877 JXXRKAYWZKNPMV-AQTBWJFISA-N 377.400 2.726 0 1 GFAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)[C@@H](C)F)[nH]c3c2)cc1 587126079 VPPFMSRKJQAWIV-QLJPJBMISA-N 378.429 2.730 0 1 GFAF COc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cn1 587181824 FGLVEZSYTIXCOF-MRVPVSSYSA-N 383.193 2.685 0 1 GFAF CC(=O)Nc1ccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514100 VKFRVSSRYSAEDJ-JOCHJYFZSA-N 381.428 2.695 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@H](C(=O)O)[C@H]1C3 586989987 TVKONIGIOJYEPE-NDRLBQGXSA-N 386.407 2.539 0 1 GFAF CCOC(=O)C1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 587406766 FDSGFJVSOOKAIO-OAQYLSRUSA-N 381.384 2.983 0 1 GFAF COC1=CN(C)C(C(=O)O)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587755548 AUOQHFRXNKLESV-XYZCENFISA-N 397.244 2.719 0 1 GFAF COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587934360 CSUBYDQNMZLHPP-SGTLLEGYSA-N 389.477 2.659 0 1 GFAF COC(=O)C[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582608 QEMCPYHCPVKTOW-GHTZIAJQSA-N 394.383 2.546 0 1 GFAF CCOC(=O)[C@@H](C)[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962911204 YZUNVICECDNUBC-KOXAJKMWSA-N 377.437 2.929 0 1 GFAF COC(=O)[C@@H]1CC[C@H](C)[C@@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962661915 IJZTVCMCZUVBRA-ZUMVVWDLSA-N 382.460 2.748 0 1 GFAF CC(C)(C)c1ccc(OCCCON2C(=N)NC(=N)NC23CCOCC3)cc1 1772596076 HDCSYSXGGYVMJJ-UHFFFAOYSA-N 389.500 2.556 0 1 GFAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC)n3)C2)cc1 1772606506 KWEWKRAYMROTKU-VQIMIIECSA-N 397.523 2.830 0 1 GFAF COc1ccc(Cc2nc3ccc(C(=O)NC[C@@H]4COCCO4)cc3o2)cc1 12386332 RAARFKKVXWLRIL-QGZVFWFLSA-N 382.416 2.572 0 3 GFAF C[C@@H](Cc1cc2ccccc2[nH]c1=N)C(=O)NC[C@@]12CCCO[C@@H]1CCOC2 1857607120 PHKAPBRNTVXSDM-VQPPSCEASA-N 383.492 2.528 0 1 GFAF CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCCCn3ccnc3)cn12 61908008 OGRVZFNDZVKGTA-UHFFFAOYSA-N 396.495 2.676 0 3 GFAF O=C1NC(=O)[C@@H](S(=O)(=O)c2ccc3ccccc3c2Br)S1 29215630 HGYCRWNWEDNOBN-GFCCVEGCSA-N 386.248 2.685 0 1 GFAF COc1ccc(-c2ccc3ncc4[nH]c(=O)n([C@H]5CC[C@H](O)CC5)c4c3n2)cn1 118534311 YWKQALJDAFOFGE-OKILXGFUSA-N 391.431 2.819 0 1 GFAF CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1Br 27900174 WXCJIBDOEGNYBN-UHFFFAOYSA-N 395.234 2.776 0 1 GFAF NC(=O)c1cc(C(N)=O)n(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1 66260026 NUSVQLKNXPBOPF-UHFFFAOYSA-N 390.321 2.636 0 1 GFAF Cc1ccc(C(=O)NCCCN=c2nc(-n3ccc4cccnc43)cc[nH]2)cc1 1911582924 MAGYTCWIZHJNSY-UHFFFAOYSA-N 386.459 2.778 0 1 GFAF CCCC[C@H](CC)CNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl 43076333 QNBONRHBWWFPLO-LBPRGKRZSA-N 378.860 2.520 0 1 GFAF NS(=O)(=O)NC(=O)CCCCCC(=O)Nc1cccc(-c2ccccc2)c1 40898252 ATDSPUBXMLTPNJ-UHFFFAOYSA-N 389.477 2.562 0 1 GFAF Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(CCOC(C)C)nc1 147209298 RDIDDPFWXBJRKR-UHFFFAOYSA-N 381.480 2.904 0 1 GFAF O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F 95894152 LRMMVBQEHJINRJ-XUVXKRRUSA-N 380.419 2.551 0 1 GFAF O=C(c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1)N1CCN(CCO)CC1 587025420 KPMZSHYQGGPVPH-RJRFIUFISA-N 382.489 2.545 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(N)=O)n(C)c2)N1 587750660 JKRXIQAVQDWGTG-HUTHGQBESA-N 380.261 2.823 0 1 GFAF CCOC(=O)C(=O)C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441136 JFEVTEOAZINLFD-OPAMFIHVSA-N 380.396 2.860 0 1 GFAF Cc1c(I)cnn1[C@H](C)c1nc2cnc(Cl)[nH]c-2n1 587181833 FJLVVQQDVBVCCA-ZCFIWIBFSA-N 388.600 2.677 0 1 GFAF NC1=COc2ccccc2[C@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962669696 QBYPEWMWCSTUGU-XZOQPEGZSA-N 387.439 2.770 0 1 GFAF COC(=O)CCS(=O)(=O)CC[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963103654 GDLSNWBWYGUDJJ-MRXNPFEDSA-N 394.320 2.722 0 1 GFAF COc1cc2c(cc1OC)[C@](CC(=O)C(F)F)(c1cnn(C)c1)N(C)[C@H](C)C2 962637304 ZEFTYAIEDHIRRP-ODXCJYRJSA-N 393.434 2.782 0 1 GFAF O=c1n(Cc2cc3ncccc3n2CCCCO)c2cnccc2n1C1CC1 200626676 GKOCOWNFKVMRLS-UHFFFAOYSA-N 377.448 2.703 0 1 GFAF COc1cnc(C[S@](=O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1OC 13452095 AAJYURZARXDQCX-HHHXNRCGSA-N 397.359 2.604 0 1 GFAF CO[C@@H](CO)CN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 13861684 VEFWIPJNZIESHB-MRXNPFEDSA-N 383.517 2.854 0 1 GFAF COc1cc(OC)c2c(=O)cc(-c3ccc(OC[C@@H](O)CN(C)C)cc3)oc2c1 169351485 RXVZTZWNSGJWEW-HNNXBMFYSA-N 399.443 2.779 0 1 GFAF C[C@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206042129 LHJRZTPOPJXYPB-HGKSCXNLSA-N 376.522 2.925 0 3 GFAF CNc1nc(Nc2cnn(CCc3ccn(C)n3)c2C)ncc1C(F)(F)F 205714519 MEVDKBXULFFYOF-UHFFFAOYSA-N 380.378 2.762 0 1 GFAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@H](CO)Cc1ccccc1 770862 ZSJHHFKLKWVXPJ-JTSKRJEESA-N 382.460 2.546 0 1 GFAF CCc1c(C)nc2ncnn2c1N1CCC[C@H](C(=O)NCc2cccs2)C1 4898184 TWUIXWWWFCSPCX-AWEZNQCLSA-N 384.509 2.589 0 3 GFAF NCCCn1cc(C2=C(n3ccc4ccccc43)C(=O)NC2=O)c2ccccc21 29125297 FOMJRIDWVMPYTN-UHFFFAOYSA-N 384.439 2.970 0 1 GFAF CNC(=O)[C@@H](N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29127725 KSYNOJACPRVMJG-SFHVURJKSA-N 380.473 2.995 0 1 GFAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1Cl)C2 101505668 VCYUAQHMXBLPAZ-QKDCVEJESA-N 379.888 2.811 0 1 GFAF C=Cc1c(C)nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)c1N 25999799 AZAMVQDPSRGHIK-UHFFFAOYSA-N 387.915 2.643 0 1 GFAF COCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 61902958 VMORJIIBKZGBOF-MRXNPFEDSA-N 390.427 2.913 0 3 GFAF COc1ccc(Br)cc1CNc1nc2nc3c(c(O)n2n1)CCC3 35562373 CEODJGCNMOHHGL-UHFFFAOYSA-N 390.241 2.702 0 1 GFAF CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1coc2ccccc2c1=O 71333789 HYRMMULMPWIDQR-GFCCVEGCSA-N 382.294 2.526 0 1 GFAF O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)C1CCCCC1 72175376 HIAGGOFCZXCWJB-LJQANCHMSA-N 393.528 2.977 0 1 GFAF COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)c(O)cc1O 15271583 OTWKVRZZHQYZMC-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CC[C@H](N)C1 222409614 FARRIJSECFVEQS-QWHCGFSZSA-N 376.464 2.511 0 1 GFAF COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1cnccc1C3=O 84633999 QOZYITDTRQPIAR-UHFFFAOYSA-N 393.443 2.577 0 1 GFAF N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccn4)nn23)C1 142967787 CYOKKWDBIRMVJG-HNNXBMFYSA-N 386.463 2.857 0 1 GFAF COc1cc2nc(NCCCOC(C)C)nc(NC[C@H](C)O)c2cc1OC 82129251 DGPSTNFSNGTPQL-ZDUSSCGKSA-N 378.473 2.667 0 1 GFAF COCOCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95535304 ZQQDADNZVDUFPX-IBGZPJMESA-N 385.416 2.989 0 1 GFAF O=C(CO)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261095936 FJTBQZNFUHLCOQ-UAPYVXQJSA-N 386.536 2.858 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(=N)[nH]cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240517 VEJHBMBFZCJAQN-ORBZYBPHSA-N 387.484 2.925 0 1 GFAF CCS(=O)(=O)N1CCC[C@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587876713 WUHCVWIKHITSGZ-NSHDSACASA-N 379.413 2.497 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CO)c1ccccc12 587766214 FWFYTMHSDZVLBB-XTZNXHDOSA-N 391.240 2.662 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 586951956 CZMWNXUTWGTFSC-UHFFFAOYSA-N 391.472 2.807 0 1 GFAF CC1=C[C@]2(CC(=O)N1CC(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 587761439 UIFMFVYHFNOHKT-HUTHGQBESA-N 397.244 2.538 0 1 GFAF COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@@]12NCCc1c(C)ccnc12 963070653 PMFLIJRINXAJKM-FQEVSTJZSA-N 382.851 2.947 0 1 GFAF CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4cncc(F)c4)cc23)CC[C@]1(C)N 1772604448 ZMLWKTPMULRFLW-UTKZUKDTSA-N 396.470 2.952 0 1 GFAF CSN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 1772585231 NIYLHIHMPNOKGZ-UHFFFAOYSA-N 377.441 2.574 0 1 GFAF O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(O)(c2cccc3c2OCCO3)CC1 13471795 CNUDKIHAKDLGRP-UYAOXDASSA-N 385.435 2.539 0 1 GFAF COc1ccc([C@@H]2Sc3ccccc3N(C[C@@H]3CCCN3)C(=O)[C@@H]2O)cc1 13650828 IWOONNRFHVTOMK-BEVDRBHNSA-N 384.501 2.988 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 15107706 JNTNUSUPTSNMNJ-NNNAONFXSA-N 388.504 2.783 0 1 GFAF in-vitro O=C(c1ccn(-c2nc(O)c3c(n2)CCC3)c1)N1CCC(C(F)(F)F)CC1 1857583190 NXMMGXKNKIACHZ-UHFFFAOYSA-N 380.370 2.876 0 1 GFAF O=C(O)C[C@](O)(CSCCCCCCc1ccc(C(=O)O)cc1)C(=O)O 13758283 VHFIHZDZXHMYGZ-SFHVURJKSA-N 384.450 2.511 0 1 GFAF O=C(O)c1ccccc1C(=O)NC[C@@H]1Cn2c(-c3ccccc3)cnc2CO1 2356304894 GRDKYMHLXIJJPS-OAHLLOKOSA-N 377.400 2.577 0 1 GFAF c1ccc(COc2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)nc1 66251812 SLOJFYILPKPUBK-UHFFFAOYSA-N 388.431 2.831 0 1 GFAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Oc1ccccc1 27653921 XLVNOHGZKAILAR-SFHVURJKSA-N 398.459 2.844 0 1 GFAF CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356617644 LQQWABATLLGTPL-FUDKSRODSA-N 392.547 2.696 0 1 GFAF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1ccc(Br)cc1 73159315 GYCNOVYYFXIBAA-MRXNPFEDSA-N 397.294 2.609 0 1 GFAF CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1coc2cccc(C)c2c1=O 71341731 UIBXPMRTOMGHIM-CYBMUJFWSA-N 396.321 2.835 0 1 GFAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)Cn3cnc4cnc(N)nc43)C[C@@H]1O2 40933277 WUBJKUWLFUDEOR-ZUCKAHLUSA-N 393.447 2.951 0 1 GFAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCOCC5)n4)c3c2)s1 145436705 JHCXRIDGVGVKMB-UHFFFAOYSA-N 379.449 2.562 0 1 GFAF c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(N2CCNCC2)o1 145436937 JTESMRSKGHICMR-UHFFFAOYSA-N 387.447 2.962 0 1 GFAF CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)NC(C)C 95895007 GADBNHUZOADWRD-NJDAHSKKSA-N 385.508 2.637 0 1 GFAF CC1(C)OC(=O)C([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O1 587619807 ZJHMMCGBUHZJFO-SZNDQCEHSA-N 398.367 2.565 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccnc(Br)c2[nH]1 587232551 ZCJFOVSTCFGFKS-GHMZBOCLSA-N 381.274 2.757 0 1 GFAF Cc1c(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586903550 LHBRGGREUSESIK-AWEZNQCLSA-N 375.450 2.751 0 1 GFAF CCn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580449 IBACNBHHJJMDKG-JXFKEZNVSA-N 380.356 2.550 0 1 GFAF Cc1cccc(Cn2cc(CCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)c1 1772571729 YDZZOQBOHYCOOK-FHWLQOOXSA-N 385.537 2.903 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 12894979 YHXGYQKOYWFHJD-OGWOLHLISA-N 394.537 2.570 0 1 GFAF C[C@@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 149594584 UKQGIZHKRHTOKI-IUODEOHRSA-N 394.443 2.858 0 1 GFAF NS(=O)(=O)c1ccc(-n2nc(CO)c(Cl)c2-c2ccc(Cl)cc2)cc1 3814712 QHJFMBANWJZYPJ-UHFFFAOYSA-N 398.271 2.986 0 1 GFAF CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 4971984 HFZAJNGEGOCQHQ-CQSZACIVSA-N 375.494 2.550 0 3 GFAF Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1 114768760 CHCQOGZXIWPSNN-HXUWFJFHSA-N 388.435 2.620 0 1 GFAF Cc1ccc(C)n1CCN1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 22027295 VDTIONGTNWJCEA-UHFFFAOYSA-N 376.451 2.639 0 1 GFAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](N3CCCC3)C(=O)N21 26945360 VRMCCYJEFQGWSV-WSTZPKSXSA-N 380.492 2.560 0 1 GFAF N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 66077897 UDPQECHYJHPSPO-SFHVURJKSA-N 383.423 2.949 0 1 GFAF CN(C(=O)[C@@H]1CCc2ccccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 28530086 WOIKPFROCVLXKE-VWPQPMDRSA-N 380.488 2.647 0 1 GFAF COc1ccc(CN2C[C@H]3CN(Cc4ccccn4)CCN3C(C)(C)C2)cc1 2356711231 PVEJNEQTVCGEDV-OAQYLSRUSA-N 380.536 2.871 0 1 GFAF COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2ccncc2)C=C1C 2356766610 QYJWSOTZMYGFBI-ZCNNSNEGSA-N 387.524 2.819 0 1 GFAF COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)C2=NCC(C)(C)CN23)cc1 35816705 NOTJVLIMAAPVJI-UHFFFAOYSA-N 399.472 2.937 0 1 GFAF CC[C@H]1[C@@H]2[C@@H]3CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N3CCC[C@H]2O[C@]12C[C@H](C)C(=O)O2 70454822 LJJHXRHHLDKWHD-JNWFCKCLSA-N 391.508 2.885 0 1 GFAF biogenic,in-vitro COc1cc2c(c(OC)c1OC)CCCN1CCC3=C[C@H](OC)[C@H](OC)C[C@]321 14929842 HNBWTTSZSJRNJF-KPLVRAHFSA-N 389.492 2.920 0 1 GFAF biogenic FC(F)(F)c1cc(-n2nnc3ccc(NCC4CCNCC4)nc32)ccn1 73276530 VJJXIBANMFZPNE-UHFFFAOYSA-N 377.374 2.641 0 1 GFAF CCN(CC)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 82067018 REVWKJNLBRWFFS-UHFFFAOYSA-N 375.473 2.949 0 1 GFAF CNc1c(Br)cnc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)nc12 84617427 JWPPHAQXCHYGAE-UHFFFAOYSA-N 381.255 2.833 0 1 GFAF CC[C@H](C)CN1C(=O)CSC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 199231443 RPKQBIUBFDVKBM-ORAYPTAESA-N 378.494 2.777 0 3 GFAF COC1CCC([C@H](C)Nc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)CC1 82212934 FOWKFUVNIBRMGE-FQXVJMBOSA-N 375.517 2.505 0 1 GFAF O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F 95662512 LRMMVBQEHJINRJ-AQNXPRMDSA-N 380.419 2.551 0 1 GFAF Cc1c(OCc2cccnc2)ccc2c(=O)n(Cc3cccnc3)c(=O)oc12 95559530 BUEFNKRWVVXHRM-UHFFFAOYSA-N 375.384 2.680 0 1 GFAF O[C@@H]1CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 96168717 QDVIRYCELRURGX-QGZVFWFLSA-N 391.475 2.644 0 1 GFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 95893985 DLGIRMAQUIZYPA-AQNXPRMDSA-N 394.475 2.985 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2C[C@@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 238786056 YTKUUOVYXFLJGW-VXRCVNIYSA-N 378.465 2.897 0 1 GFAF O=C(Nc1nc(Cc2nc3nc(Cl)c[nH]c-3n2)cs1)c1cccc(O)c1 587018930 BXDRJRGFKLTJSI-UHFFFAOYSA-N 386.824 2.963 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1c(C)nn4c(=O)c5ccccc5[nH]c14)[C@@H](C2)C3=O 587435902 KBFJQHJVEWBYRR-XOBRGWDASA-N 387.395 2.982 0 1 GFAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](O)CC(=O)O)[nH]c4c3)o2)cc1 586888585 IVQVUQAMWDIXJU-ZDUSSCGKSA-N 394.387 2.667 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 587151831 VQQOEFPUSLYXRV-KRWDZBQOSA-N 394.447 2.968 0 1 GFAF COC(=O)[C@H]1OCC(C)(C)[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961327729 UKLCLVVCHOTEBA-KDOFPFPSSA-N 380.282 2.921 0 1 GFAF O=S(=O)(c1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 206049192 FNKBMZUNURGUOV-SWLSCSKDSA-N 380.828 2.903 0 3 GFAF O=C(COCC(=O)Nc1ccc(Cl)cc1C(=O)O)Nc1cccc(F)c1 1857647047 UOIJOMIOCDYPDJ-UHFFFAOYSA-N 380.759 2.771 0 1 GFAF CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCO 4205827 VEWIGYIAPYGLFU-IEBWSBKVSA-N 388.851 2.939 0 1 GFAF NC(=O)CSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1 103229090 GATYAFGBZCUVNH-UHFFFAOYSA-N 387.852 2.535 0 1 GFAF CC(=O)Nc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29475021 LFHZZFFLHZSGOF-UHFFFAOYSA-N 378.358 2.918 0 1 GFAF CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 20355056 BYXBLUXTCZCXHL-GOEBONIOSA-N 375.494 2.550 0 1 GFAF CCCN(CCN1CCN(c2ncccn2)CC1)[C@H]1CCc2ccc(O)cc2C1 64415649 QPFPLXIMWCZMQV-NRFANRHFSA-N 395.551 2.574 0 1 GFAF CC=C1CN2CC[C@]34C(=C(C=N)[C@H]1C[C@@H]23)N(C(C)=O)c1c4ccc(OC)c1O 2356786649 SGDWZQZCNVENAB-GKIWIXTESA-N 379.460 2.963 0 1 GFAF COc1cc2nc(N3CCSCC3)nc(NC[C@H]3CCCO3)c2cc1OC 82119613 FQEJECLUTIEZTM-CYBMUJFWSA-N 390.509 2.791 0 1 GFAF COc1cnc2c(NCc3nnc4ccc(-c5cc(C)no5)nn34)ccnc2c1 139855776 ZQCHASWRHDPHQK-UHFFFAOYSA-N 388.391 2.652 0 1 GFAF CCN1CCC(Nc2cc(N(C)Cc3ccccc3)nn3c(C)nnc23)CC1 146693114 QBIPWAYUMTXEPI-UHFFFAOYSA-N 379.512 2.965 0 1 GFAF CN(C)c1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1 95577579 BNGFTKWOLOLBGI-UHFFFAOYSA-N 395.419 2.692 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587610148 PGSDPVDPRKIEQZ-OXTHUFEASA-N 384.384 2.692 0 1 GFAF N[C@@H](N=O)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587203083 NFYNDROESJMMLI-WBVHZDCISA-N 397.391 2.729 0 1 GFAF COc1cncc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 587019508 MDLARHMOYJWKNW-UHFFFAOYSA-N 381.417 2.972 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]1CN[C@@H](C(=O)O)[C@H]12 587591125 BHCLICLSLFASJT-FINZTQACSA-N 395.411 2.565 0 1 GFAF COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587388144 WWCMIJOQJKKVDA-HXUWFJFHSA-N 392.452 2.759 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(CO)c1ccccc12 587586817 JWSWGKWUZWEVEB-XMSQKQJNSA-N 389.363 2.546 0 1 GFAF COc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cn1 587185792 NZKFIANVLHHGDV-LLVKDONJSA-N 394.216 2.814 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1[C@H](CN[C@H]1C(=O)O)C2 587591082 BCSFBBNVNMWGDN-IPXIQMJASA-N 395.411 2.565 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCNCC4)c(F)c1)[C@@H](C2)C3=O 587425588 FKQQUZLHTDUWDK-KSFYIVLOSA-N 382.435 2.907 0 1 GFAF Cc1nc([C@](C)(NC(=O)c2cnc(C3CC3)c(OCC3CC3)n2)C2CC2)no1 207392982 RVMPWSDXPAEYMM-HXUWFJFHSA-N 383.452 2.889 0 1 GFAF C[C@@H](N=c1nc(-c2nccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857656069 DDVPWDBXRXZEBC-NXEZZACHSA-N 393.417 2.612 0 1 GFAF O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 2928903 HZSLQQAVLWAYSP-INIZCTEOSA-N 387.505 2.694 0 3 GFAF aggregator CCOC(=O)[C@@]1(CC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 101964221 YIKURKMRWAQOKN-SUWCGCSTSA-N 396.443 2.750 0 1 GFAF CCN1CCN(c2cc(C)c3cc(NC(=O)c4cnccn4)ccc3n2)CC1 20108594 OKBFUFJXNIYMDI-UHFFFAOYSA-N 376.464 2.727 0 3 GFAF O=C(OCCCc1cccnc1)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1 27559529 KQLRLYLKDPJCLG-LJQANCHMSA-N 388.489 2.552 0 1 GFAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cccc(Cl)c2)CC1 207161601 ZWFKFPIVMQVIJQ-UHFFFAOYSA-N 383.901 2.922 0 1 GFAF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@H]3C=C(CO)[C@]12O 2356722838 REHNZVPVFKWZNO-VGJQQHLPSA-N 388.460 2.667 0 1 GFAF Cn1ncnc1COc1nn2c(-c3ccco3)nncc2c1-c1ccccc1F 36088294 LODWVHSNNGQTKI-UHFFFAOYSA-N 391.366 2.898 0 1 GFAF COc1ccccc1CN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2099533 NFQIFHMMRSVXPL-HSZRJFAPSA-N 389.455 2.819 0 1 GFAF biogenic COc1cc(OC)cc(-c2nc(C(=O)OCCOCCN(C)C)cs2)c1 82086397 CIHRZVBINBPJLO-UHFFFAOYSA-N 380.466 2.562 0 1 GFAF COC[C@H]1CCCN1c1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1 145440932 ZJOSEGOSWVWPDQ-CYBMUJFWSA-N 391.435 2.872 0 1 GFAF COC1CCC2(CC1)Cc1ccc(-c3ccnnc3)cc1[C@@]21N=C(N)N(C)O1 140876951 BYXKRPXQHBVBMW-JITJBCMDSA-N 379.464 2.620 0 1 GFAF O=C(NC[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccccc2F)cc1)c1ccccn1 95895420 KNXYZMGFNOLZDW-FDFHNCONSA-N 391.446 2.734 0 1 GFAF O=C(Nc1cn(-c2ccccn2)cn1)c1nc(C2CC2)cnc1Nc1cncnc1 96167434 NREKNLHZOVGMET-UHFFFAOYSA-N 399.418 2.721 0 1 GFAF C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 255260999 QJPCKAJTLHDNCS-SOYWKHEQSA-N 390.520 2.719 0 1 GFAF C[C@H](Oc1nn(-c2ccccc2F)c2ccc(F)cc12)C(=O)N1CCOCC1 653852844 VEUTYUARWSZCHF-ZDUSSCGKSA-N 387.386 2.930 0 1 GFAF COc1cc(N)c(I)cc1-c1nc2cc(N)c(N)cc2[nH]1 587178373 ALCZHMKAUYVLFM-UHFFFAOYSA-N 395.204 2.590 0 1 GFAF CN1[C@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339911 QZCHWLZGWQDCSQ-CEWZXMOFSA-N 383.419 2.856 0 1 GFAF COc1ccc(C=O)c(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)c1OC 587798363 VEISGTUMEMOICP-UHFFFAOYSA-N 381.432 2.892 0 1 GFAF CCS(=O)(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587051193 AFZYFEWGDPWEGQ-CYBMUJFWSA-N 379.869 2.958 0 1 GFAF N=c1nc(O)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c[nH]1 587254239 XKMJXXYQZNVSLT-UHFFFAOYSA-N 390.119 2.799 0 1 GFAF Cc1nn(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)c1Br 586978706 CPFZBXSLTAJBNI-UHFFFAOYSA-N 376.214 2.518 0 1 GFAF CC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586946787 PQCJSNGMUJLZKP-MRXNPFEDSA-N 399.472 2.890 0 1 GFAF O=C(O)[C@@H]1C[C@H]2C=CC[C@@H](C1)[C@@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963239166 ZZONSNIDNUNDDG-AFVPOHNSSA-N 378.428 2.716 0 1 GFAF CC(C)[C@]1(c2c[nH]c(C(=O)O)c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963220618 FABSCTMRSQKLLW-WIYYLYMNSA-N 379.416 2.760 0 1 GFAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21N=C(N)N(C)O1 201206895 HNFROVVMIDYSEZ-QWFMPGPPSA-N 380.286 2.925 0 1 GFAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@H]1c1ccc(Cl)cc1 1857540841 RJZGMGAAMZVUBB-KRWDZBQOSA-N 393.852 2.620 0 1 GFAF CCOC(=O)c1sc(NC(=O)Cn2cc(-c3cccs3)nn2)nc1C 1857566048 PPAKTFKVQVYFTL-UHFFFAOYSA-N 377.451 2.587 0 1 GFAF CO[C@@H]1OC(=O)[C@H](c2ccc(O)cc2)[C@H]1Cc1ccc2c(c1)C[C@H](O)C(C)(C)O2 2356421275 DPSBLYOBWXUIHM-UGGKCQTMSA-N 398.455 2.938 0 1 GFAF CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NC4CCNCC4)c3c2)c1 4257406 VGQBVTINGOHPHH-UHFFFAOYSA-N 397.504 2.832 0 1 GFAF CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3)ccc21 8673334 JSQLIDZOECXPQU-UHFFFAOYSA-N 392.864 2.661 0 1 GFAF COC(=O)[C@@H](Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)O 27105014 PUTUUAYFZXHMSI-IBGZPJMESA-N 399.443 2.919 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@]4(CCN(C)C4)C3)c(F)c21 26380552 GCDRHQXDOFPHAI-HXUWFJFHSA-N 391.418 2.530 0 1 GFAF COC(=O)[C@]12CCC[C@@]3([C@@H]1CC[C@H]1[C@@H](C)c4ccoc4[C@@H](O)[C@H]13)[C@H](O)OC2 2356711989 IUERDUXXUQLZOY-TVVILGEJSA-N 376.449 2.751 0 1 GFAF O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1 64658472 ZDCCAMDJTWWSAJ-SFHVURJKSA-N 377.535 2.820 0 1 GFAF COc1cc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c(F)cn1 220720040 FAPBBHHBSSJFBQ-OAQYLSRUSA-N 399.422 2.624 0 1 GFAF C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN(C)C 82083786 BGKYHWBHIWVPLX-LLVKDONJSA-N 381.885 2.687 0 1 GFAF CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CCC1 95895562 HSESRDNFSLKVBL-XPWALMASSA-N 392.499 2.945 0 1 GFAF COc1c([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)ccc2c1C=CC(C)(C)O2 32251926 IAJCTOOANYGADU-AZUAARDMSA-N 384.384 2.968 0 1 GFAF biogenic COc1ccc([C@@H]2c3cc4c(c(OC)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc1OC 33913320 MLANVLKQFOVBHC-RQUSPXKASA-N 398.411 2.918 0 1 GFAF biogenic O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1ccc(CN2CCCC2)cc1 473135129 LOTUUGYFLMHAMK-UHFFFAOYSA-N 377.492 2.813 0 1 GFAF O=C1OCC2=C1[C@@]1(C(=O)Nc3c(F)cccc31)c1c(-c3ccccc3)n[nH]c1N2 299857448 CXGYDRDGBYXSAF-OAQYLSRUSA-N 388.358 2.690 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(S(N)(=O)=O)cc1)O2 587410627 TZJMEOMXWRFQMZ-IBGZPJMESA-N 397.456 2.722 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NC[C@H]1CCCO1 587869256 FOHNWQNNDDHELY-LLVKDONJSA-N 386.399 2.874 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1)O2 587396822 WJFAAILTVVAZGM-JLTOFOAXSA-N 390.436 2.765 0 1 GFAF COC(=O)c1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cn1 587118311 LNWFGBMFTRZNJV-UHFFFAOYSA-N 392.297 2.663 0 1 GFAF COc1ccc2c(c1OC)[C@]1(C[C@@H]3CCO[C@@H]31)N(C(=O)c1ccccc1N)CC2 963139832 LMCVMWKKDUFNBL-GNOCETLISA-N 394.471 2.989 0 1 GFAF NC[C@@]1(C2CC2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963441127 AQANSKMIERPYFL-WMZHIEFXSA-N 389.455 2.884 0 1 GFAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H]3CCOc4ccccc43)ncc12 1772575588 FZBCRLDDXGEULG-GFCCVEGCSA-N 382.380 2.782 0 1 GFAF COc1ccc2c(c1)[C@@H]1NC(=S)N[C@](C)(O2)[C@H]1C(=O)Nc1ccccc1C 13470583 OMEBMIFLGJRKPD-FUHIMQAGSA-N 383.473 2.886 0 1 GFAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1 13643133 RZWIBVNDYKVOQZ-UHFFFAOYSA-N 391.462 2.796 0 1 GFAF O=C(NC1CCCCC1)N[C@H]1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 6613443 FKBFFCNYUAHDGE-DOTOQJQBSA-N 376.501 2.746 0 1 GFAF biogenic C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)cc1 13474299 MSFXCQBITWOFFJ-UHFFFAOYSA-O 398.490 2.728 0 1 GFAF NCCc1c[nH]c2ccc(CC[C@H]3NC(=O)N(Cc4ccccc4)C3=O)cc12 13603453 ACBXQEAUXYCGPA-HXUWFJFHSA-N 376.460 2.722 0 1 GFAF COc1c(O)cc2c(c1CCC(C)(C)O)O[C@H]1c3ccc(O)cc3OC[C@]21O 14713066 GOAAFLGCSWDGQK-FPOVZHCZSA-N 388.416 2.524 0 1 GFAF biogenic CCCCNC(=O)[C@H](c1ccccc1)N1C(=O)C[C@H]1C(=O)OCc1ccccc1 28524362 ITRGJDGWDLFSCE-FPOVZHCZSA-N 394.471 2.988 0 1 GFAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccsc2)O1 28974865 NEHJYAUOFHQEHN-YDBLSZJJSA-N 395.381 2.815 0 1 GFAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 33818985 QDNGVIMUWLFPTA-HGSJOUDDSA-N 376.865 2.861 0 1 GFAF CC(=O)c1cc(OCc2ccc(F)cc2)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 40406660 GPIUEDJTARVKBE-IBGZPJMESA-N 398.434 2.879 0 1 GFAF O=C1Nc2ccc(Br)cc2C(c2ccccc2)=N[C@H]1OCCO 49088359 XGTTZGULRZEUCT-KRWDZBQOSA-N 375.222 2.574 0 1 GFAF O=C(Nc1ccccc1)N1C[C@@H](CN2CCN(c3ccccc3)CC2)OC1=O 67924044 XFOSCSDXUYQABM-LJQANCHMSA-N 380.448 2.862 0 1 GFAF Cn1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc21 95564777 UBKYMIQJVLXVBE-UHFFFAOYSA-N 377.492 2.653 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C/[C@@H](O)OC)cc3[C@@H]2CO)ccc1O 96932725 ACYTYNNPYAXFFE-TXEGORABSA-N 388.416 2.597 0 1 GFAF Cc1ccc(CNC(=O)c2c(C)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]2[O-])cc1 101463325 SLWKPGXMPJJDNE-UHFFFAOYSA-N 392.242 2.960 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@H](CCc3ccccc3)C2=O)cn1 115731239 GKNNRXBARRKQRO-GOSISDBHSA-N 379.420 2.594 0 1 GFAF COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C 169308337 QSAQGWNYEHBCEH-QWHCGFSZSA-N 399.499 2.528 0 1 GFAF CCCCCCc1cnnn1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 169325254 AKKFBLCCKXNJLO-LJQANCHMSA-N 390.438 2.859 0 1 GFAF O[C@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Cl)cn1 205217082 YUMJYMLVVGYABE-CQSZACIVSA-N 387.724 2.680 0 1 GFAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CC3OCCO3)[nH]c2c1 586908884 UNVJKBMLAOEIRD-UHFFFAOYSA-N 393.852 2.933 0 1 GFAF N[C@H](Cc1cscn1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587029161 JDSDCQKOMLSFKZ-SECBINFHSA-N 376.385 2.555 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166303 AWHVEJDBBOXIBT-MDZDMXLPSA-N 388.424 2.604 0 1 GFAF Oc1nc(O)c2cc(CCCC3OCCO3)c(Cc3ccc(F)cc3)nc2n1 587369572 LDZBYRKJSNUFFA-UHFFFAOYSA-N 385.395 2.862 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N(CC(=O)O)N=O)cc1)[C@@H](C2)C3=O 587429602 QGWUJDMCXOIIKH-YWZLYKJASA-N 382.372 2.930 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CN1CCOCC1)(c1cnn(CC)c1)CC2=O 587474390 DDCWEWXZSRUMPE-JOCHJYFZSA-N 399.491 2.754 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1nc[nH]n1 587586486 CMTBEGBHZRUGGB-DYESRHJHSA-N 386.367 2.811 0 1 GFAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2cccc(OCCO)c2)N1 962627305 FNXHDHFLORYDRK-PBHICJAKSA-N 397.349 2.645 0 1 GFAF COC(=O)CC1=CC[C@H]2[C@@H](C(=O)[C@H](O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C 1772584823 VKGQIUIZQCESJX-GAWHXJNISA-N 392.492 2.677 0 1 GFAF CC(=O)N1CCc2c(c(Nc3cccc(C(=O)N(C)C)c3)nn2CC2CC2)C1 1772640075 RONQAYQWPFKHGK-UHFFFAOYSA-N 381.480 2.643 0 1 GFAF Cc1cc(C(=O)NCC(F)F)c2ncn(Cc3ncnc(N(C)C)c3C)c2c1 1857560574 QYURHSZVIBUWGH-UHFFFAOYSA-N 388.422 2.552 0 1 GFAF NCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(F)cc3)N2C1=O 1911580333 IBEPCZMPULYCBG-AZUAARDMSA-N 392.434 2.934 0 1 GFAF CC=C1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1C(=COC)C(=O)OC 2356500199 RFHZMDBYJUMARX-QOEFQVSFSA-N 382.460 2.620 0 1 GFAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC(=O)[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356517006 SHRGTLYZJIVTMQ-HIIQQCGHSA-N 386.488 2.992 0 1 GFAF COc1c(O)cc([C@@H]2OC[C@@H]3[C@H](c4cc(O)c(OC)c(O)c4)OC[C@H]23)cc1O 2356664354 RYHHTEJSKIQZAS-BMEPFDOTSA-N 390.388 2.601 0 1 GFAF c1cc(-c2cc3nc(NCC4CC4)ccn3n2)ccc1OCCN1CCOCC1 61903472 WYLSNUWHKGLXHS-UHFFFAOYSA-N 393.491 2.929 0 3 GFAF Oc1cc(O)c(Oc2cc(O)cc(Oc3c(O)cc(O)cc3O)c2O)c(O)c1 14822143 KHKZCWRYCNHRRM-UHFFFAOYSA-N 390.300 2.916 0 1 GFAF biogenic Cc1c(CCCC(=O)O)c2cc(S(=O)(=O)O)ccc2n1C(=O)c1ccco1 28118886 UFMPNSJYOLYKAM-UHFFFAOYSA-N 391.401 2.885 0 1 GFAF COC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 40441892 HVIYCLWOIFNFBF-XGDHITNLSA-N 392.467 2.507 0 1 GFAF NC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 82086079 FEIKXMLBPJHNTA-MRXNPFEDSA-N 396.472 2.687 0 1 GFAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C(C)C)N2 82206512 XUYGJIQWLLQLGO-KRWDZBQOSA-N 385.512 2.752 0 1 GFAF COC(=O)c1c[nH]/c(=N\C(=S)NC(=O)c2ccc(C(C)(C)C)cc2)s1 84653883 XALFZOVVENGCHP-UHFFFAOYSA-N 377.491 2.776 0 1 GFAF C[C@H](COc1ccc(-c2ccccc2)cc1)CON1C(N)=NC(N)=NC1(C)C 96580351 MPQDUZSOQKYXFW-OAHLLOKOSA-N 381.480 2.981 0 1 GFAF O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccccc2)[C@@H]1C(=O)c1ccco1 100283655 ICWKKFHRJQPWDB-QZTJIDSGSA-N 377.400 2.518 0 1 GFAF COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)ccc1O 105518567 VJXYCGBOCOGNJF-NBQKENEESA-N 399.443 2.948 0 1 GFAF CC(C)(C)NC(=O)c1cnn2ccc(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)nc12 114893392 JSSACTCBXIXNAA-NVXWUHKLSA-N 397.454 2.709 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)[C@H](Cc3ccccc3)N(C)C2=O)cn1 115732123 WJLNWYWWCBJKRJ-SFHVURJKSA-N 379.420 2.546 0 1 GFAF COCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccccc12 139898806 PXKWFPHRFQPVMA-JOCHJYFZSA-N 398.503 2.735 0 1 GFAF Cn1cc(-c2ccc(C3(c4nnc5n4CCS[C@@](C)(CO)C5)CC3)cc2)cn1 148308056 PTXJDKXORGVEGX-HXUWFJFHSA-N 395.532 2.799 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(NC(N)=O)c3)[nH]c2c1 587242630 WFVXDKDSZPCBJE-UHFFFAOYSA-N 387.465 2.799 0 1 GFAF O=C([C@@H]1CN2CCC[C@H]2CO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660082 BVVASFUPHJDMHI-LPHOPBHVSA-N 393.418 2.706 0 1 GFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CS(C)(=O)=O 587866250 HKQOQLJCHBURAR-UHFFFAOYSA-N 376.356 2.652 0 1 GFAF COc1cc2c(cc1OC)[C@@](CC(=O)C(F)F)(c1cnn(C)c1)N(C)[C@@H](C)C2 962637291 ZEFTYAIEDHIRRP-FKIZINRSSA-N 393.434 2.782 0 1 GFAF CC(=O)O[C@@H]1C=CC[C@H](C(C)=CC=C[C@H](C)O)OC(=O)C[C@@H](O)CC[C@@H]1C 2356413009 KCPFGCOVIHILBY-FLFBIERCSA-N 380.481 2.840 0 1 GFAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(C)[C@H](O)CCC(C)(C)[C@@H]12 2356517952 ZPZIYHULOGDSFI-BFLJCRRBSA-N 394.508 2.756 0 1 GFAF Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)[C@H]3CCCO3)cc2c1 8586226 IXOZFNJFOLNEGL-RBUKOAKNSA-N 384.476 2.832 0 3 GFAF O=C(C[C@@H]1C(=O)NCCN1CC1CCCCC1)NCc1ccc(Cl)cc1 12459275 CCSAAPHIZWENLH-GOSISDBHSA-N 377.916 2.727 0 3 GFAF C[C@@]12C(=O)N(CCc3ccc(F)cc3)CC(=O)N1CCc1c2[nH]c2ccccc12 2109251 NRPLWSITAUONDR-HSZRJFAPSA-N 391.446 2.992 0 1 GFAF biogenic CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4045155 UUERVZOSVGQPSA-FWQLUELVSA-N 399.491 2.961 0 1 GFAF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)C1 4051150 BDXHQTVNOYZSIB-ZJOUEHCJSA-N 377.444 2.515 0 1 GFAF C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](COC(C)=O)[C@H]1C[C@H]24 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1 GFAF COc1ccc(Cn2cc([C@]3(C)NCCc4c3c(C(C)C)nn4C)nn2)cc1 962918297 NYPWYDAOHZUGTO-NRFANRHFSA-N 380.496 2.601 0 1 GFAF O=C1COC(CO)=C[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963833144 SKIPDFJGWCUBBM-QHCPKHFHSA-N 390.439 2.563 0 1 GFAF CNCCN[C@@H]1CC[C@@]23C[C@@]4(CCC[C@H]14)[C@H]2[C@H](O)C[C@@]1(C)CCC[C@@]3(O)C1 2356351740 FHKHPLRWVFJOBM-BXJWAFQDSA-N 376.585 2.827 0 1 GFAF C[C@@H]1N[C@H](CC[C@H](O)CCCC2(CC[C@@H](O)CC(=O)O)CCCC2)CC[C@@H]1O 2356445122 VQRDMKWFWNHFIY-UTBUEMAESA-N 399.572 2.975 0 1 GFAF COc1cc2c(c(OC)c1O)[C@H](c1cc(C)c(O)c(C)c1)[C@H](CO)[C@@H](CO)C2 2356569617 OELITVVAXWGNQR-JFIYKMOQSA-N 388.460 2.637 0 1 GFAF CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)[C@H]1CCC(=O)N1)c1ccccc1 4571456 NJVYCAJEZSHBDW-XMSQKQJNSA-N 385.508 2.916 0 3 GFAF Cc1ccc(C)c(NC(=O)CN2C(=O)C[C@H](C)S(=O)(=O)c3ccccc32)c1 6806558 VENFJSHOQOVVSL-HNNXBMFYSA-N 386.473 2.841 0 3 GFAF CCCCCCN1CCS(=O)(=O)N(Cc2ccc(C)cc2)[C@@H](C(=O)OC)C1 263590562 WKHXZSYPECBDNA-LJQANCHMSA-N 396.553 2.564 0 3 GFAF Cc1ccnc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1 841383 HTWCOXZWZHJHKU-UHFFFAOYSA-N 382.367 2.909 0 1 GFAF O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1C[C@H]1CCCO1 59288550 ACIGYBBWLJMRHH-LLVKDONJSA-N 390.789 2.822 0 1 GFAF O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCCC3)cc21 103229709 SLVQURVSFKZTPC-UHFFFAOYSA-N 384.457 2.591 0 1 GFAF Nc1c(Cl)cc(C(=O)OCC2CCN(CCCF)CC2)c2c1OCCO2 103255764 AITVFSBTANYJCU-UHFFFAOYSA-N 386.851 2.922 0 1 GFAF CN1N=C(c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)CCC1=O 73224722 BTIURMAWMGWSQB-UHFFFAOYSA-N 386.411 2.650 0 1 GFAF O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc(-c3ncccn3)no2)CC1 43024641 DIYUAKHOKKCOEE-IAGOWNOFSA-N 390.447 2.972 0 1 GFAF O=C(c1ncccn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 64559633 HZQKLJHETYZKDH-UHFFFAOYSA-N 386.883 2.637 0 1 GFAF CC(C)S(=O)(=O)Nc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 40833704 KGGZNIGGTODRDF-UHFFFAOYSA-N 386.470 2.801 0 1 GFAF C/C1=C/C(=O)O[C@@H](C[C@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C/CC1 40936867 JDROCHDFKUSVDQ-UOTYSBNOSA-N 397.537 2.938 0 1 GFAF C[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82206956 YRXDPFBTVYOWCY-AWEZNQCLSA-N 376.460 2.847 0 1 GFAF O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cnc(Cl)cn2)C1 95565689 BLYNAMFFYGDEND-UHFFFAOYSA-N 393.209 2.837 0 1 GFAF NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1 96929221 KBRRGVANIWZIIS-ZJUUUORDSA-N 393.230 2.701 0 1 GFAF N[C@@H](Cc1ccc(I)cc1)c1nc2ccnc(O)c2[nH]1 587186312 VIXUELGNOIOGEW-JTQLQIEISA-N 380.189 2.511 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(C2CC2)N1 587848236 HPCWXKUMNVQRCF-RFAUZJTJSA-N 376.291 2.772 0 1 GFAF NS(=O)(=O)c1ccc(CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586929604 FZLGPFPMSYFHIE-UHFFFAOYSA-N 385.367 2.894 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4C(=O)C=CC4=O)cc1)[C@@H](C2)C3=O 587435633 HGXRTTFYPAHMQU-KSFYIVLOSA-N 375.380 2.787 0 1 GFAF CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=O)/C=C/c2ccccc2)O1 2178317131 DZXLRUWMFBGNPG-VQEASIQYSA-N 390.432 2.640 0 1 GFAF CNc1nc(Nc2cc3cnn(C)c(=O)c3cc2OC)ncc1C(F)(F)F 169704573 KHXBUDGRNUIBNN-UHFFFAOYSA-N 380.330 2.536 0 1 GFAF CC(=O)O[C@@H]1CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 103232794 RXIJUECFAISMIF-YZHKUDHRSA-N 396.395 2.945 0 1 GFAF CO[C@]12CC(C)=CCC[C@H](C)[C@H]3CC[C@@](C)(O3)[C@@H](O)[C@H](O)C1=C(C)C(=O)O2 2356455517 XNCQSLQRDRRFCP-RQMDDQCBSA-N 380.481 2.628 0 1 GFAF CCNC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 71280973 XSWCHCOKGJWNLM-UHFFFAOYSA-N 387.871 2.839 0 1 GFAF Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc(N2CCCNCC2)n1 45385439 CWIMFTKSPLIPEM-UHFFFAOYSA-N 380.540 2.661 0 1 GFAF COc1ccc(S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)cc1 95560616 HVLZBYJPELWHEK-UHFFFAOYSA-N 399.516 2.634 0 1 GFAF C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNC[C@@H](O)c3ccccc3)C(=O)O[C@@H]1C2 299878856 JVUZHTFMWZBZKT-YGLCDLOMSA-N 385.504 2.837 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CCC(O)CC1 587237588 VAPGCENYGHCCNH-WXYZLBAPSA-N 389.456 2.942 0 1 GFAF O=C(O)c1cc(F)cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586920595 NQGFXUDXMMKLBZ-UHFFFAOYSA-N 388.420 2.905 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(C2CC2)N1 587848237 HPCWXKUMNVQRCF-VFZGTOFNSA-N 376.291 2.772 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2cnn(C)c2)N1 587764759 QRAVHOBDPJUNAD-UFIKFXCSSA-N 394.244 2.740 0 1 GFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587095276 ZVUXOZFLYNVINL-SECBINFHSA-N 394.357 2.752 0 1 GFAF COC(=O)c1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cn1 587145465 ZCCOTKAVRFDRIF-LLVKDONJSA-N 393.216 2.889 0 1 GFAF Cc1c(F)cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1F 587135096 SYIBJWYORLJJSK-UHFFFAOYSA-N 393.415 2.837 0 1 GFAF CCOC(=O)[C@H](C)[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962911210 YZUNVICECDNUBC-SGJUXQJHSA-N 377.437 2.929 0 1 GFAF O=C(O)c1cccc2c1CCN[C@@H]2c1cccn1S(=O)(=O)c1ccccc1 963135753 FVEAUWZTPTVODO-IBGZPJMESA-N 382.441 2.658 0 1 GFAF CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)C[C@](N)(CO)CC4)o2)cn1 1772576368 QCWUXRIGEPINJL-NRFANRHFSA-N 380.448 2.764 0 1 GFAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCCC21CNC1 1772642555 GFHJZUKDPSZRCD-UHFFFAOYSA-N 375.432 2.555 0 1 GFAF O=C1CSCN1CCCCN1CCN(c2nsc3ccccc23)CC1 12356152 ZVDGCNAUCPQLCE-UHFFFAOYSA-N 376.551 2.731 0 1 GFAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cccnn3)c2)c2cncnc21 169707925 WYUSAXSMSPGBJM-UHFFFAOYSA-N 387.403 2.681 0 1 GFAF CCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)NC 206687665 IZRAKQFSHFVXGF-UHFFFAOYSA-N 387.402 2.924 0 1 GFAF CN(C)CCC(C)(C)N=c1[nH]c(-c2c[nH]nc2C(F)(F)F)nc2cnccc12 1857574703 GRPMEXOJKIUSID-UHFFFAOYSA-N 393.417 2.998 0 1 GFAF CC(=O)N1CC[C@@H]2[C@H]1C(=O)N(C1CCCCC1)C(=O)N2Cc1cccs1 4260491 ZRNOWCKQPKVSOE-SJORKVTESA-N 375.494 2.834 0 1 GFAF biogenic CCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1 4733535 WANQJNGGFTWHKP-PMACEKPBSA-N 397.475 2.926 0 1 GFAF CN1C(C(=O)Nc2ccccc2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O 13605473 LKGUTMQMKKSSJD-UHFFFAOYSA-N 383.429 2.678 0 1 GFAF CNC(=O)c1coc([C@@H]2[C@H]3CC[C@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 13827153 XRRNUAXUYMWVSW-RMRDIRSESA-N 384.432 2.555 0 1 GFAF O=S(=O)(CC(F)(F)F)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 20201456 YDYIURUQABSKIQ-UHFFFAOYSA-N 382.310 2.870 0 1 GFAF O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cocn1 95893909 KDUASBSMIGCHJJ-HKBOAZHASA-N 375.428 2.664 0 1 GFAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cnc(SC)n1Nc1ccccc1 103176157 LKRVVEWHHGULIQ-HNNXBMFYSA-N 387.465 2.671 0 1 GFAF CC(=O)C[C@@H]1C2=C(O)C[C@@H](C[C@H](O)C[C@H]3C=C[C@@H]4C(=O)[C@H](C)C[C@@H]4[C@H]31)OC2=O 169675641 MLTKAVZDJLQPHH-OKLWPZDHSA-N 388.460 2.508 0 1 GFAF O=C(Nc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1)c1cnco1 219726503 DHNWQALEHKCSSF-IBGZPJMESA-N 393.443 2.725 0 1 GFAF COc1cc2c(c3c1OCOC3)CN1CCc3cc4c(c(OC)c3[C@H]1C2)OCO4 238777086 IPXXTRCJTVBMQB-MRXNPFEDSA-N 397.427 2.955 0 1 GFAF Cc1ccccc1OCC1CN(C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)C1 299828611 KDPFLGZZXOFMBA-RMKNXTFCSA-N 377.444 2.825 0 1 GFAF O=[S@@](CCCc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1 586957751 BECBMNGHINJQOE-QFIPXVFZSA-N 381.255 2.561 0 1 GFAF Cc1cc(C)c2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2c1 587180120 MVSPEZFPNJROOE-UHFFFAOYSA-N 396.188 2.883 0 1 GFAF CC(C)(C)OC(=O)N1CCC2(CCc3nc4nc(O)nc(O)c4cc3C2)CC1 587558356 RCVCYLAVUKGZEJ-UHFFFAOYSA-N 386.452 2.942 0 1 GFAF O=C(O)c1cc2n(n1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584523 ATEDJJFAEZPLSV-DYESRHJHSA-N 392.367 2.938 0 1 GFAF Cc1cc(=O)oc2cc(NC(=O)CN3CCN(Cc4ccccc4)CC3)ccc12 1772580189 KEDPTWPXSPEGIT-UHFFFAOYSA-N 391.471 2.858 0 1 GFAF CS(=O)(=O)c1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)cc1 1772633531 VUZNUQRRRAEJPQ-QGZVFWFLSA-N 377.443 2.597 0 1 GFAF NC[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1nccs1 1857592313 NZMOZQUUIAWEPZ-CYBMUJFWSA-N 381.383 2.982 0 1 GFAF CO[C@@H]1OC(=O)[C@H](c2ccc(O)cc2)[C@H]1Cc1ccc2c(c1)C[C@@H](O)C(C)(C)O2 2356421272 DPSBLYOBWXUIHM-JWUVWSEFSA-N 398.455 2.938 0 1 GFAF C[C@@]12CC[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 2356527198 YMVDNUQMQPOREU-FEUUOHNZSA-N 384.494 2.677 0 1 GFAF COc1cc2c(cc1OC)C(=O)N(c1ccc(OCCN3CCCC3)cc1)C2=O 1639171 BUTFOWCWBBFYMG-UHFFFAOYSA-N 396.443 2.979 0 1 GFAF CCC1=CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1C(=COC)C(=O)OC 2356453329 VCNYNWHVJKWJRQ-YIFZBPKDSA-N 382.460 2.968 0 1 GFAF CCNC(=O)Nc1nc2cc(-c3ccc4cnnn4c3)c(=O)n(C(C)C)c2s1 103263640 YSUBCEOGBDXSQS-UHFFFAOYSA-N 397.464 2.890 0 1 GFAF COc1ccc(CNC(=O)NC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 28456430 HWCRQVASHGCJGT-UHFFFAOYSA-N 397.475 2.888 0 1 GFAF C[C@@H](NS(C)(=O)=O)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 23181974 HDBYKRUMBPFPJH-KDOFPFPSSA-N 397.541 2.688 0 3 GFAF Cc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110787266 PXXBCJNYKPSOBG-LSDHHAIUSA-N 381.413 2.904 0 1 GFAF C=CC(=O)N1CCc2c(sc3ncnc(N[C@@H](CO)c4ccccc4)c23)C1 64527161 YAFRPXJMYXBTOY-HNNXBMFYSA-N 380.473 2.908 0 1 GFAF NCc1ccc2c(c1)C1(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC1)CO2 218765149 DYVKJZPSAYQODA-UHFFFAOYSA-N 388.851 2.776 0 1 GFAF Cc1cc(NC(=O)C2C(C)(C)C2(C)C)cc(S(=O)(=O)N2CCOCC2)c1C 45350276 NROWJKQDSUNENA-UHFFFAOYSA-N 394.537 2.945 0 1 GFAF CC(C)n1cc(-c2ccnc(NC[C@H](C)O)n2)c(-c2cnc3[nH]ncc3c2)n1 95563021 DQIHARVNOLGARF-LBPRGKRZSA-N 378.440 2.652 0 1 GFAF CN(C(=O)[C@]12[C@@H]3[C@@H]4[C@@]5(C(=O)C67C8C9C6C6C7C8C96C)[C@@H]([C@H]1[C@@H]35)[C@@]42C)C(C)(C)C 299815254 MVEPNNJIZFXFLP-VNVFBQEJSA-N 375.512 2.698 0 1 GFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587095283 ZVUXOZFLYNVINL-VIFPVBQESA-N 394.357 2.752 0 1 GFAF Cc1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2c1C 587186435 WLWKDVIPRUFHPO-UHFFFAOYSA-N 396.188 2.732 0 1 GFAF N=c1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c[nH]1 587657113 VMMKSYSQCJHGCG-UHFFFAOYSA-N 378.338 2.838 0 1 GFAF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c[nH]1 587060564 JIEAIQCUMUVPSL-UHFFFAOYSA-N 389.810 2.729 0 1 GFAF O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)CN[C@@H](CF)C2 13581935 LHAKXFHKVJOKTQ-XAPRQVHKSA-N 378.513 2.918 0 1 GFAF COc1ccccc1CNC(=O)[C@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@@H]2N1C 13660619 RLLCPUKXIYNIII-XFQXTVEOSA-N 376.460 2.736 0 1 GFAF O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)CCCCC2 13833981 JSHPIPDFHHZPRW-XXRWXEQKSA-N 388.439 2.880 0 1 GFAF O=C(Nc1cccc(-c2c[nH]cn2)c1)c1ccc2cc3n(c2n1)CCCNC3=O 117701413 YLSPAUGOMPCCCJ-UHFFFAOYSA-N 386.415 2.812 0 1 GFAF CC(C)n1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1 205262128 CHWFFBDEESOIBC-UHFFFAOYSA-N 388.479 2.874 0 1 GFAF N[C@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=NC(=O)c4ccccc4)c3c2)C1 1857636284 IGNWRSHPCXAJBO-GJZGRUSLSA-N 377.448 2.693 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCC[C@H]1C 4148863 WBFXFVHIMIAONG-MGPQQGTHSA-N 390.596 2.843 0 1 GFAF CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)c2ccco2)C1 4202205 WXLSIYMEIXMMRJ-FUHWJXTLSA-N 385.464 2.578 0 1 GFAF O=C1Nc2ccc(-c3ccccc3F)cc2C(=O)N2CCN(C(=O)C3CC3)C[C@H]12 4235863 DLDCEVUKFSITMY-LJQANCHMSA-N 393.418 2.508 0 1 GFAF biogenic CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(-c4ccccc4)c3n2)CC1 4238493 AIFJFSSAFFWSLK-UHFFFAOYSA-N 398.470 2.595 0 1 GFAF aggregator CN(C)P1(N(C)C)=N[P@@](N(C)C)(N2CC2)=N[P@](N(C)C)(N2CC2)=N1 28762848 HYMWZDYKQJWHKR-DNQXCXABSA-N 395.373 2.716 0 1 GFAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCOCC4)ncc32)cc1 28883619 XTZKOGDXCXHQKA-JOCHJYFZSA-N 397.519 2.769 0 1 GFAF CC[C@H]1[C@@H]2[C@@H](CCCN3[C@H]([C@H]4C[C@@H](C)C(=O)O4)CC[C@H]23)O[C@@]12C=C(C)C(=O)O2 95884483 UINUUSQOLRQGNF-BNVQXRODSA-N 389.492 2.805 0 1 GFAF O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 95893462 QOIZBCOVSIRXJY-LZLYRXPVSA-N 396.409 2.831 0 1 GFAF COCC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)C(C)C 95895487 MGAORVRFBDAGHY-MQSCRBSSSA-N 386.536 2.944 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 139100363 MVELEQDHPIOVCZ-VAMGGRTRSA-N 383.536 2.926 0 1 GFAF OCCn1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 144901701 SBVSXCJFCSJNFT-IBGZPJMESA-N 390.361 2.813 0 1 GFAF C[C@@H]1CN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S(=O)(=O)C1 149366385 MHPZNUCALZUBKC-IUODEOHRSA-N 394.443 2.715 0 1 GFAF CCCCNc1cc(C(=O)O)cc2c1[C@](O)(c1ccccc1)CS2(=O)=O 169341374 USGKSGCWVMEPCX-LJQANCHMSA-N 375.446 2.620 0 1 GFAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 226078944 CMRPWTOJYYZURJ-ZVZYQTTQSA-N 393.422 2.874 0 1 GFAF COc1cc(CNC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)on1 261109236 HTQWBGGJCGXVSQ-UHFFFAOYSA-N 379.380 2.647 0 1 GFAF O=C(O)C[C@H]1CC[C@H](c2ccc(N3CCOc4ncnc(O)c4C3=O)cc2)CC1 261148816 OLFUJHSJGGHZHG-HDJSIYSDSA-N 397.431 2.970 0 1 GFAF CNS(=O)(=O)c1ccc(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586947116 SRBPUVICCLGAKS-UHFFFAOYSA-N 385.276 2.958 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cncc(Br)c2[nH]1 587230582 IKXCSXWDSHSFNL-MNOVXSKESA-N 381.274 2.757 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](CC(=O)OCC)C(=O)OCC)CC2=O 587483306 QATNJLLTCCBIPG-RHSMWYFYSA-N 378.421 2.811 0 1 GFAF COc1ccc(OC)c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1OC 587925457 AOWAFRKPSZUJDB-UHFFFAOYSA-N 391.449 2.506 0 1 GFAF Cc1cccc(-c2cn(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)nn2)c1 1857620199 GCGUNSPVQBNHSB-FQEVSTJZSA-N 396.401 2.711 0 1 GFAF Cc1ccc(CN2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 1857637721 KQZHCJOZHHPHLU-HFSMHLIXSA-N 381.476 2.577 0 1 GFAF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(Cc3ccccn3)CCN21 2356319872 NBENSUYQJGUUAQ-GOSISDBHSA-N 382.483 2.642 0 1 GFAF CO[C@@]1(C(C)C)NC(=O)[C@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1 2356721123 VEXWEGMVYLZHTN-HTAPYJJXSA-N 393.443 2.531 0 1 GFAF CC(C)NC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccccc2)on1 61926976 GFFQDACEQVLBMC-MRXNPFEDSA-N 377.466 2.729 0 3 GFAF Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCOCC1 117763824 ZLYUPMVAXMBENB-UHFFFAOYSA-N 376.420 2.577 0 1 GFAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356583048 HKRMRITZYIPSSH-NEVBNQMBSA-N 378.509 2.877 0 1 GFAF CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@H](c4ccccn4)C3)c(F)c2)C(=O)O1 26829859 SKADUEYHFDHYKW-LIRRHRJNSA-N 398.394 2.548 0 1 GFAF COc1cc(C)c2c(c1O)Oc1c(c(C)c(O)c3c1[C@@H](OC)OC3=O)OC2=O 14588327 MITNJIOIWSCYFS-IBGZPJMESA-N 388.328 2.864 0 1 GFAF biogenic CC(C)Nc1nccc(N(CC2CCNCC2)C(=O)c2ccc3c(c2)CCO3)n1 49113940 CDDWNPXQRGKOOC-UHFFFAOYSA-N 395.507 2.878 0 1 GFAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCCO)c2n1 223682035 YDMASSGDTTWIMX-UHFFFAOYSA-N 391.435 2.582 0 1 GFAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cnncc3[nH]2)cc1 586944867 ZBRLYIMMGGZONO-UHFFFAOYSA-N 385.474 2.602 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNC(=O)c3[nH]c(Br)cc31)O2 587372998 OTHIUBLPPKFFFS-QGZVFWFLSA-N 390.237 2.662 0 1 GFAF COC(=O)[C@@H]1C[C@]2(CCN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587762803 UTZWKLWNHNRRAY-PGQWDYDZSA-N 385.277 2.585 0 1 GFAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587202178 AUVLHMJFIQPGID-UHFFFAOYSA-N 387.831 2.888 0 1 GFAF C[C@@]1(c2ccc(C(=O)O)o2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962674069 VHEXJXKYNTULLX-SFTDATJTSA-N 380.400 2.888 0 1 GFAF CCO[C@H](C)c1ccc([C@@]2(CN)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963527981 RNPTVOVMERNVKS-JVJLVOBOSA-N 384.476 2.599 0 1 GFAF CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(CC(F)(F)F)c3ccc(F)cc13)C2 1772600746 YRYPNXADIHDEOP-ZIAGYGMSSA-N 399.388 2.934 0 1 GFAF CCCCCn1c(=O)n(CC(=O)NCCCC)c(=O)c2c(Cl)cccc21 1772657387 OMVKYMFQOWWKGL-UHFFFAOYSA-N 379.888 2.923 0 1 GFAF CCCn1c(=O)c2[nH]c(-c3ccc(O[C@H](C)C(=O)O)cc3)cc2n(CCC)c1=O 13678966 PMNVTYJKRYGRPH-CYBMUJFWSA-N 399.447 2.830 0 1 GFAF COC1CCC2(CC1)Cc1ccc(-c3cncs3)cc1[C@@]21N=C(N)N(C)C1=O 201231876 VIKFIFLWVNYSCR-UJWQOHNOSA-N 396.516 2.924 0 1 GFAF COc1ccccc1N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 207168473 LSGOESOUFVTROS-UHFFFAOYSA-N 387.447 2.546 0 1 GFAF Cc1ccccc1CN1CCN(c2cnnc(O)c2Br)[C@@H](C)C1 1857535760 HJKQOMMTUDYNHY-ZDUSSCGKSA-N 377.286 2.964 0 1 GFAF O=C(C[C@H]1CC=CCCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1 253855725 XOSBLLGXOWRWPW-MRXNPFEDSA-N 392.883 2.752 0 1 GFAF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccc(F)cc2)CC[C@@]1(C)O 2356317629 HJNGIJLMVPSBJG-BHDDXSALSA-N 386.467 2.655 0 1 GFAF CCCCCCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2cccnc2)n1 2356322612 SFMYFMMHHYMGPT-BQJUDKOJSA-N 384.524 2.609 0 1 GFAF C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC(C)(C)O2 2487805 JFZUFAXWLMYIJR-SZVBFZGTSA-N 389.540 2.737 0 1 GFAF O=C(CCS(=O)(=O)Cc1ccccc1F)NCCCN1CCCCCC1 4711572 ZBXAOMBSKVSCHM-UHFFFAOYSA-N 384.517 2.513 0 1 GFAF Cc1cccc(C(=O)NCC(=O)OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c1 101643292 PCIWROXJYZFFKI-HTAPYJJXSA-N 386.492 2.695 0 1 GFAF CSc1nn(-c2ccccc2)c2nc(Nc3cccc(F)c3)n(N)c(=O)c12 103220974 FERXDPQMGDIMLJ-UHFFFAOYSA-N 382.424 2.901 0 1 GFAF CCCNC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)on1 61907830 OVGNJNRPJUYZJJ-INIZCTEOSA-N 377.466 2.730 0 3 GFAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccsc2)O1 28974851 NEHJYAUOFHQEHN-VDBVYFBLSA-N 395.381 2.815 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43CO)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2356604665 CDMVQQAHEQVSMF-QAJOGYARSA-N 390.520 2.577 0 1 GFAF CCC(C)=CC(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356682173 GOYCTRMVTOTXSN-KLOUTKDASA-N 376.449 2.554 0 1 GFAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3ccc4c(c3)OCO4)n2)=CN1 2356862765 NMVWFPGLGLSZFM-INIZCTEOSA-N 394.455 2.687 0 1 GFAF O=C1NN[C@H](C(=O)Nc2ncccc2OCC2CCCCC2)[C@@H]2CCCC[C@H]12 215001432 UPIQIOYKTOHYJK-RYRKJORJSA-N 386.496 2.789 0 1 GFAF CCOC(=O)[C@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(C)C 40847120 IBDADVDROSFHGZ-VQIMIIECSA-N 382.460 2.910 0 1 GFAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(OC(F)F)cc1 221919732 XWGFOVNGXKQOSI-MISXGVKJSA-N 394.378 2.957 0 1 GFAF COc1cccc(C2=NCC(=O)N3CCc4c(CN(C)C)cccc4C3=C2)c1 149020343 DABKOAXUSJASHF-UHFFFAOYSA-N 375.472 2.985 0 1 GFAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587164369 UBIDASYSCAMEDS-QGZVFWFLSA-N 376.457 2.603 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(N)(=O)=O)cc2)N1 587840879 NOXMEJUHMPYDAJ-FVMDXXJSSA-N 399.285 2.859 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2C[C@]3(C[C@H]21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587346763 NCMZUMXGPUMOQW-GVXCHBSKSA-N 397.402 2.712 0 1 GFAF COc1cncc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c12 586954716 NVIXGFGISXDCFX-UHFFFAOYSA-N 386.477 2.843 0 1 GFAF CCOC(=O)[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582777 QXZPWPJXQZKNPX-LAUBAEHRSA-N 394.383 2.546 0 1 GFAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963550122 KGXJZSYTJOSVRQ-YEJXKQKISA-N 385.416 2.567 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 13741015 MVELEQDHPIOVCZ-HSALFYBXSA-N 383.536 2.926 0 1 GFAF Cc1cc(-n2cc(-c3ccc(F)cc3)nn2)n(-c2ccc(S(C)(=O)=O)cc2)n1 1857545896 VSMZQYGFDADWAC-UHFFFAOYSA-N 397.435 2.971 0 1 GFAF COC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496638 NKPHVJAVUYSGSZ-SUWCGCSTSA-N 396.418 2.516 0 1 GFAF Cc1cnc(NC(=O)C2=C(O)N(C)S(=O)(=O)c3cc(Cl)ccc32)s1 13605532 UKUOGXMKJVVTLP-UHFFFAOYSA-N 385.854 2.604 0 1 GFAF COc1ccc(C2=NN(CCn3ccnc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26572904 DYMATXSIQRNSJP-IAGOWNOFSA-N 382.464 2.953 0 1 GFAF O=C(O)c1ccccc1NC(=O)N1CCN(c2ncc3ccccc3n2)CC1 28969580 MGWYBMZLOCYCKE-UHFFFAOYSA-N 377.404 2.682 0 1 GFAF C[C@]12C[C@@H](O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 38625914 YACPFMQTNQLPTL-HVKFYJPQSA-N 390.520 2.575 0 1 GFAF COCCC(=O)Nc1ccc2c(c1)CN(Cc1cccn1-c1ncccn1)CC2 39380543 ZCKGKOMLNOWIHH-UHFFFAOYSA-N 391.475 2.801 0 1 GFAF CCCCOC(=O)N1CCN(c2ccc([C@H]3CC(C(=O)O)=NO3)cc2)CC1 40405489 UTBMGPPZZWDNPM-QGZVFWFLSA-N 375.425 2.647 0 1 GFAF COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(OC)c2)cs1 82195432 GZCJVTBTDBUGMZ-KRWDZBQOSA-N 375.494 2.940 0 1 GFAF CC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CO)N1C(C)=O 95895709 VSSLUMFLNCMGMA-BHDDXSALSA-N 384.451 2.646 0 1 GFAF Cc1nn(C)c(C)c1Cc1nc2c(-c3ccc(S(C)(=O)=O)cc3)cccn2n1 96169729 YZPADGQXHLCLHU-UHFFFAOYSA-N 395.488 2.741 0 1 GFAF O=S1(=O)CCCCN1C[C@@H](O)Cn1c2cc(F)ccc2c2c(F)cccc21 148399102 VADDOOJKRUUUMQ-CQSZACIVSA-N 394.443 2.859 0 1 GFAF CC(C)c1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 169322217 GIVYHQMXWVTUTO-GOSISDBHSA-N 391.427 2.955 0 1 GFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCc2ccccc2)nc1 199944828 JVOWRFSZBJEXRH-UHFFFAOYSA-N 385.493 2.887 0 1 GFAF Cc1cn2cc(NC(=O)c3ccc(N4CCN[C@@H](C)C4)cc3F)nc2c(C)n1 223415840 ZKLAQRFKZCJHJW-LBPRGKRZSA-N 382.443 2.536 0 1 GFAF Cn1cnc(S(=O)(=O)N2C[C@@H](Nc3ccccc3)[C@@H](c3ccccc3)C2)c1 225853604 FRPYSHYFXSVLBY-RTBURBONSA-N 382.489 2.689 0 1 GFAF COC(=O)c1cc(Cl)c2[nH]c(CS(=O)(=O)c3ccc(OC)cc3)nc2c1 586920141 FJRSTMONHDFVNK-UHFFFAOYSA-N 394.836 2.985 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(CCO)cc4[nH]3)cc12 587036891 BDRRRSHQSGISGW-NSHDSACASA-N 383.477 2.845 0 1 GFAF O=C(N[C@H](c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1 587221107 FONSTGDQLCCSGO-CYBMUJFWSA-N 377.429 2.867 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2S(C)(=O)=O)N1 587837995 AQNOYNVOSXJVMK-PSLIRLAXSA-N 387.274 2.821 0 1 GFAF CC[C@]1([C@@H](C)C(=O)OC)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623525 BPVXKSZXASHUJA-KJRLAJNESA-N 375.343 2.599 0 1 GFAF CC(C)[C@@]1(c2nccn2C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638033 RSEFGRFWLWKNFA-SJKOYZFVSA-N 383.370 2.817 0 1 GFAF CC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 1772587684 PBXWVAXVBPRIBQ-UHFFFAOYSA-N 388.489 2.739 0 1 GFAF Cc1nc(-c2ccc(F)c(Br)c2)n(CCN2CCNCC2)c1C 1911570420 FOYMPNFAEJQECA-UHFFFAOYSA-N 381.293 2.974 0 1 GFAF COc1ccc(-c2oc3cc(C)n([C@H](C)C(=O)O)c(=O)c3c2CC(=O)O)cc1 2356761693 WACXIMYXPCIQQF-LLVKDONJSA-N 385.372 2.851 0 1 GFAF O=C(Cc1ccccc1)NC[C@@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1 2356322575 PPLMRJNWAKVKOS-QGZVFWFLSA-N 391.427 2.537 0 1 GFAF CNC(=O)c1cccc(NC(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)c1 103241449 SZOUSTUIKKPTIX-UHFFFAOYSA-N 392.459 2.632 0 1 GFAF CN1[C@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@H]1CN(c1ccccc1)C2 100828472 PKRIIEGSDJCJPE-OALUTQOASA-N 389.503 2.655 0 1 GFAF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(C(=O)C3CCCC3)CCN21 2356302991 IZFOSNUWYDSHSK-QGZVFWFLSA-N 387.499 2.763 0 1 GFAF CNCCc1cn(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc12 29125773 NKHVDDSWPRPDRK-UHFFFAOYSA-N 384.439 2.909 0 1 GFAF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@H]2c1ccc(Br)cc1 73159318 GYCNOVYYFXIBAA-INIZCTEOSA-N 397.294 2.609 0 1 GFAF CC(=O)Oc1cc(OCCO[N+](=O)[O-])cc2oc(-c3ccccc3)cc(=O)c12 49785128 VQDIDXYXZUUTEY-UHFFFAOYSA-N 385.328 2.972 0 1 GFAF in-vivo N=C(NCCCc1c[nH]cn1)NC(=O)C[C@H](c1ccccc1)c1ccccn1 40899793 XPEMILVWHHWGBE-GOSISDBHSA-N 376.464 2.600 0 1 GFAF O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cnccc2o1 96282800 JIFVMADPDCUYQT-UHFFFAOYSA-N 399.472 2.932 0 1 GFAF C=CS(=O)(=O)Nc1cccc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1 148069895 GDBDFXMMJSKVKY-UHFFFAOYSA-N 386.481 2.640 0 1 GFAF CCn1c(NC(=O)c2ccc3cc4n(c3n2)[C@@H](C)CNC4=O)nc2ccccc21 148462654 QKXWJSXDKHCSDT-LBPRGKRZSA-N 388.431 2.963 0 1 GFAF O=C1CCCN1CCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 98083431 IKJUTZUFTFGUMS-UJKMTWAASA-N 386.451 2.501 0 1 GFAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@H](O)C[C@H]1N1CCN(C)CC1 299849266 BSGGUNAZMRJFTD-MOUTVQLLSA-N 396.531 2.939 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(=O)O)(c2cnn(C)c2)N1 587765405 TUMCUZWRIAMMGL-DWUJVBSOSA-N 394.244 2.740 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@@H](C(=O)O)[C@@H]1CC3 586989926 STDMIVYNMQQZHX-HQHPYACNSA-N 386.407 2.854 0 1 GFAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(N)ncnc3[nH]2)c(C2CC2)n1 587232403 TWLYUCGQIRVYJT-UHFFFAOYSA-N 381.440 2.899 0 1 GFAF CCOC(=O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590271 SCFBTDNIADZADD-DNVCBOLYSA-N 380.356 2.995 0 1 GFAF CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962960450 GICIWAFHAWZTBJ-XMVVLCOTSA-N 385.794 2.632 0 1 GFAF Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](OCc1ccc(F)cc1)CC(=O)N2 1772594207 NXVSAODSLDRWDB-ZDUSSCGKSA-N 393.382 2.586 0 1 GFAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cncnc2)c1F 1772611874 YCYFGNBNGWCUJL-QMTHXVAHSA-N 378.835 2.805 0 1 GFAF COCC(=O)N1CCC(Oc2ccc(C(=O)N3C[C@@H]4CCC[C@H]3C4)cc2)CC1 11999701 QQCRAZRFXUVBEH-AEFFLSMTSA-N 386.492 2.717 0 3 GFAF COc1ccc(CNC(=O)[C@H](C)OC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 13095175 XNEURKZZRITXSU-CQRYTEQLSA-N 387.476 2.574 0 1 GFAF CSc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)[C@](C)(O)OC2=O)cc1 13488600 QSIMEXGETHTWEY-LJQANCHMSA-N 390.482 2.988 0 1 GFAF O=C1COCc2ccc(-c3cc(F)cc(F)c3)cc2N1CCN1CCOCC1 205218456 GYLZZRCTKAGUHO-UHFFFAOYSA-N 388.414 2.827 0 3 GFAF O=c1c2c([nH]c3ccccc13)[C@H](c1cc(CO)cs1)N(c1ncccn1)C2 1857646065 SJYCUPIPJNBBNZ-SFHVURJKSA-N 376.441 2.982 0 1 GFAF C=CC(=O)N1CC[C@H](Nc2ncnc3ccc(-c4ccc(OC)nc4)cc23)C1 1857757795 WEFOCPOLNXCPMW-INIZCTEOSA-N 375.432 2.899 0 1 GFAF CCOC(=O)CSc1nc2c(c(=O)n1-c1ccccc1OC)SCC2 755454 UJNRIWOBPJQKQB-UHFFFAOYSA-N 378.475 2.545 0 1 GFAF O=C1CCCN1CCCNc1nc2ccccc2c2nc(-c3cccnc3)nn12 6805421 DWFBSSLVJXOKFS-UHFFFAOYSA-N 387.447 2.764 0 1 GFAF CCOC(=O)c1c(-c2ccc(Br)cc2)[n+]([O-])c2ccccc2[n+]1[O-] 40392591 SQOVKYUSKPWUIM-UHFFFAOYSA-N 389.205 2.713 0 1 GFAF Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 40425321 BYQQKILQHOHJRW-MTQWCTHYSA-N 385.423 2.592 0 1 GFAF COc1ccc(Cc2c(Cl)nc3nc(N)nc(N)c3c2C)c(OC)c1OC 45302163 RYEGTNRSJKZSQT-UHFFFAOYSA-N 389.843 2.768 0 1 GFAF O=C(Nc1nonc1NC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 45374278 UFUJWRGCZHJBHN-UHFFFAOYSA-N 390.825 2.687 0 1 GFAF C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCc1ccccc1N 82070428 LPPCSOWXHZSZDN-CYBMUJFWSA-N 380.473 2.827 0 1 GFAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(N2CCCCC2)C3=O)cc1 95603534 WPCAZQOIVASKMV-UHFFFAOYSA-N 399.472 2.793 0 1 GFAF O=C(Nc1ncc(CO)s1)N1CCC(N2CCc3ccc(F)cc32)CC1 103241470 AZVQFBDCMPUJLV-UHFFFAOYSA-N 376.457 2.834 0 1 GFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cnoc4-c4ccccc4)C[C@H]3C2)n1 116821753 YUZRTVCIPAHBMU-ROUUACIJSA-N 389.459 2.957 0 1 GFAF OCCn1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144909999 KLALFGXAAYXRTK-LJQANCHMSA-N 390.361 2.813 0 1 GFAF O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@H]([C@@H]35)N2Cc1ccc(I)cc1 169295916 LTAWJWNPMAZAIW-MPBJDUKMSA-N 391.252 2.552 0 1 GFAF NC[C@H](c1ccccc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1 219315490 DIAQYSLZMGCMGJ-LJQANCHMSA-N 392.482 2.687 0 1 GFAF C/C=C1/CN2CC[C@@]34c5ccccc5N[C@H]3[C@]2(C)C[C@]1(C)[C@]4(CO)C(=O)OC 238744827 RKEYBMSLSYRTDT-FAXAKDBESA-N 382.504 2.705 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166293 AWHVEJDBBOXIBT-KTKRTIGZSA-N 388.424 2.604 0 1 GFAF Nc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1N 587184003 NHPBHYITNCZTEY-GFCCVEGCSA-N 393.232 2.574 0 1 GFAF O=C(N[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)O)OCc1ccccc1 587202683 KMGGSSUUAGKVAZ-HNNXBMFYSA-N 375.331 2.763 0 1 GFAF CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426504 CWLAAQDSVBZTHF-OPAMFIHVSA-N 398.386 3.000 0 1 GFAF COC(=O)[C@]1(CC(C)=O)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640955 MPGKVBZVSYKAFH-OFNKIYASSA-N 378.472 2.781 0 1 GFAF Cc1c(O)ccc2c1[C@@](CCC(=O)O)(c1cccc(F)c1F)N[C@H](C(=O)O)C2 963548545 GWWQYJCWQPRACW-VBKZILBWSA-N 391.370 2.686 0 1 GFAF CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(C)=O 1772612564 GPIWCXJTCPCNIQ-UHFFFAOYSA-N 399.495 2.635 0 1 GFAF Nc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1857775057 SLNKDQNEFQSXLL-XWDORNJCSA-N 387.549 2.853 0 1 GFAF CC(C)CC(=O)N=c1[nH]ccn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 1911577080 UZKWDBBSCOPKKS-UHFFFAOYSA-N 377.448 2.695 0 1 GFAF CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@@H](C)C3)cc2)CC1 902164 MZLFICLLKHMARC-QGZVFWFLSA-N 393.553 2.778 0 3 GFAF N=C(N)c1ccc(NC(=O)NCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1 13489403 GJJHHZZKVHQJHG-UHFFFAOYSA-N 394.262 2.715 0 1 GFAF CCn1c(=O)c2c(nc(NC3CCCC3)n2Cc2ccccc2)n(CC)c1=O 13860291 YUKFMPPPKQPGLW-UHFFFAOYSA-N 381.480 2.802 0 1 GFAF CN[C@H]1CSCON2CCc3c([nH]c4ccc(O)c(Br)c34)[C@@H]12 15209833 KXCXRECQMGYZIE-ZUZCIYMTSA-N 384.299 2.759 0 1 GFAF biogenic COc1cc(OC)cc([C@@H]2c3cc4c(cc3N[C@H]3COC(=O)N32)OCCO4)c1 25992166 RWVYUDYSGQHYJK-RTBURBONSA-N 384.388 2.768 0 1 GFAF Cc1noc(-c2ccc(N3CCC(C(=O)N4CCN(C(C)C)CC4)CC3)cc2)n1 45168452 FEMXOYHWCYUSHW-UHFFFAOYSA-N 397.523 2.814 0 1 GFAF CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C 45497895 FMJAMEXUMLPVCZ-UHFFFAOYSA-N 391.435 2.685 0 1 GFAF CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(C3CCCCC3)c(=O)n12 72108954 QNTGEZMPTHLOLQ-SFHVURJKSA-N 383.448 2.723 0 1 GFAF Cc1cc(-c2cnc3ccc(NCC4CC4)nn23)ccc1C(=O)NCCN(C)C 72178409 CQJBUTSWMPCQES-UHFFFAOYSA-N 392.507 2.818 0 1 GFAF COc1cc(Cl)ccc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116823652 MGSNPGTXJLBZKW-GJZGRUSLSA-N 386.883 2.964 0 1 GFAF O=C(CF)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 147694267 OOBJUMKQKXVZFD-CALCHBBNSA-N 391.487 2.572 0 1 GFAF COC(=O)[C@@H]1CO[C@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@H]12 238738610 MXHRBHXSJSGQKW-PROFGDRKSA-N 384.476 2.920 0 1 GFAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)[C@H]1C2 253677951 QLJHRHJFUIHEAT-RNQOJCNYSA-N 384.476 2.878 0 1 GFAF CC(C)(C)OC(=O)N(Cc1nc2c(S)nc(S)nc2[nH]1)C[C@@H]1CCCO1 587197060 HQBIRMSLPWTXKA-VIFPVBQESA-N 397.526 2.846 0 1 GFAF COC(=O)[C@]1(C)COCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587619560 YCPQOKONMUZFGV-CZAAIQMYSA-N 384.384 2.692 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587762516 SRHPPJHPYSEBDT-SUFBMKPHSA-N 399.304 2.833 0 1 GFAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1 587785840 PCGNHYGQWZMCLD-LSDHHAIUSA-N 399.472 2.757 0 1 GFAF CCOC(=O)c1cc([C@@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)nn1C 962577823 WHVNJAQBYPSXHW-YEJXKQKISA-N 387.480 2.754 0 1 GFAF COc1cc2c(cc1OC)[C@]1(CCN(Cc3cccnc3)C(=O)C1)N(C)[C@@H](C)C2 962633154 SWLGSCBFNJMZEB-QMHKHESXSA-N 395.503 2.993 0 1 GFAF CN1c2ccc(S(C)(=O)=O)cc2S[C@H]1NC(=O)/C=C/c1ccc(F)cc1 1857597518 UPUPDHDFQAHFQP-DNXKIMQPSA-N 392.477 2.884 0 1 GFAF COc1ccccc1-c1nc(C(=O)N[C@H](C)c2ccc(F)cc2)c(O)c(=O)n1C 1911582331 XVARWZPVMGSEHK-GFCCVEGCSA-N 397.406 2.792 0 1 GFAF Cc1nc2cnc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C 1911586733 CKORZEDWJBEKIZ-UHFFFAOYSA-N 391.262 2.667 0 1 GFAF CC[C@@H]1[C@@H]2C3=[N+](CCC[C@@H]2O[C@@]12C=C(C)C(=O)O2)C(=C1C[C@H](C)C(=O)O1)C=C3 2356318488 UDKJIHKZUSEEJY-GTSWBAMOSA-N 384.452 2.839 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC1=C2[C@@]3(C)CC[C@H](O)[C@@]2(C)CO1 2356325891 SENHZXFMEPETDI-LDFWDHKYSA-N 376.493 2.942 0 1 GFAF C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)CC1CCCC1 61902238 HGTUXNPRTXTMNF-GOSISDBHSA-N 398.912 2.716 0 3 GFAF CCCCCCNC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccccc1 96020320 ATNUIRLTINTZJP-KRWDZBQOSA-N 384.567 2.630 0 3 GFAF CCc1nnc(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)s1 7001972 MTJBDBCEGPAEPO-NSHDSACASA-N 389.510 2.598 0 1 GFAF COc1cc(N)c(Cl)cc1C(=O)OC[C@@H]1CN(Cc2ccccc2)CCO1 29209607 XPCCTIBOUGXBRG-HNNXBMFYSA-N 390.867 2.989 0 1 GFAF CN(C)P1(N(C)C)=NP(N(C)C)(N(C)C)=NP(N(C)C)(N2CC2)=N1 28762377 UKVAPJSLRNEZPN-UHFFFAOYSA-N 397.389 2.962 0 1 GFAF COc1cc(C=C2Oc3c(c(OC)cc4ccc(=O)oc34)OC2=O)ccc1O 2356542108 UCSIQEOSRNPJIA-UHFFFAOYSA-N 382.324 2.855 0 1 GFAF CCCN(C)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 26975518 FTVQJMKUEVCXGK-UHFFFAOYSA-N 378.230 2.816 0 1 GFAF CCN(CCO)c1nc(NCc2ccc(OC)cc2)c2c(n1)N(C(C)C)CN2 70719140 ORBDZJCGOKWJCH-UHFFFAOYSA-N 386.500 2.514 0 1 GFAF COc1c(C(C)C)cc2c(c1OC)[C@]1(C=O)C=CC(=O)C(C)(C)[C@@]13O[C@H]3C2=O 15157565 FQRPJCSRTNMLFM-KSEOMHKRSA-N 384.428 2.763 0 1 GFAF biogenic COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1OC 73138472 CHMCBJOSDHGBIQ-VLIAUNLRSA-N 397.431 2.733 0 1 GFAF Cc1ccc(S(=O)(=O)NC(=O)[C@H](O)c2c3c(cc4c2CCC4)CCC3)cc1 1911579967 QBHLKOAXKDLPNW-HXUWFJFHSA-N 385.485 2.511 0 1 GFAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CC(=O)NCCN1CCCC1 25430113 KHRUDXLIPJVXEU-IEBWSBKVSA-N 389.515 2.916 0 1 GFAF biogenic CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 95894265 VPTFOXPNWYLTKZ-AQNXPRMDSA-N 394.475 2.987 0 1 GFAF NS(=O)(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F 207023738 XMKAGILFEZNQHU-UHFFFAOYSA-N 391.808 2.849 0 1 GFAF CN1CCC[C@@H]1COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 299874336 BFFFBEMIXDPBGC-UKRRQHHQSA-N 389.477 2.645 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586951643 SJBGAQKEPBPLBE-UHFFFAOYSA-N 377.373 2.780 0 1 GFAF COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650366 TTZZRRFQSMMJQO-UHFFFAOYSA-N 375.377 2.733 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc3nc(O)[nH]c3c1)O2 587395675 FGRCNLLBFCBXKG-FQEVSTJZSA-N 380.404 2.912 0 1 GFAF COC(=O)c1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2n1 587060345 BVKJESQTSZVHFH-UHFFFAOYSA-N 380.795 2.934 0 1 GFAF CCOC(=O)c1[nH]cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591048 UGVMRLNNMNMUFL-IFXJQAMLSA-N 380.356 2.995 0 1 GFAF O=C1COC(CO)=C[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963833143 SKIPDFJGWCUBBM-HSZRJFAPSA-N 390.439 2.563 0 1 GFAF CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)on1 12202552 XKQSJNGPXCCRJC-CQSZACIVSA-N 375.856 2.945 0 3 GFAF Cc1nnc2ccc(SCC(=O)N3CCC(OCc4ccccc4)CC3)nn12 12213880 XVOZAIWKLWPPEO-UHFFFAOYSA-N 397.504 2.733 0 1 GFAF COc1ccc([C@@H](C)NC(=O)[C@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 169299486 QXDNINQOTQLSMY-VHZRNNRFSA-N 380.444 2.901 0 1 GFAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1 1857620661 ZTDUIPGMHVZDSC-UHFFFAOYSA-N 395.532 2.569 0 1 GFAF CNC(=O)c1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1 1857765966 WOQOZRHVLYUXPM-UHFFFAOYSA-N 394.435 2.542 0 1 GFAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(F)cc1)C1=C(O)c3ccccc3C1=N2 103521822 WORMKJMLNFSLAR-OAHLLOKOSA-N 389.386 2.772 0 1 GFAF CCCC[C@@H](OC)[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 29487825 MGHBICCSEQIBOM-BAHMGYFZSA-N 382.497 2.876 0 1 GFAF COc1cc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)ccc1Cl 117590389 AAOILMKPAAXMET-UHFFFAOYSA-N 394.836 2.871 0 1 GFAF CO[C@@]1(C(C)C)NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1 2356721125 VEXWEGMVYLZHTN-VGOFRKELSA-N 393.443 2.531 0 1 GFAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CC[C@](C)(NC)[C@@H](O)[C@H]32)O1 2356865655 VLBCDXKEKYYAFI-BSRULCJHSA-N 395.632 2.675 0 1 GFAF Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)NC(=O)Nc3ccccc3)cc2)n1 29398728 ASBYEUDLNNFQHF-UHFFFAOYSA-N 398.444 2.699 0 1 GFAF N[C@H]1C[C@@H](N2Cc3c[nH]nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F 1911577318 XKDUABUTWWOKDW-XZDPQHSOSA-N 388.340 2.792 0 1 GFAF O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(-c2cccnc2)c1 217119376 HXOLKDWHFJHQCU-QHCPKHFHSA-N 387.483 2.898 0 1 GFAF CS(=O)(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103652 IVXZGODDVVFFQJ-SFHVURJKSA-N 379.913 2.838 0 1 GFAF COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCC2)cc1F 216252686 KVLULHUBTMHYFY-UHFFFAOYSA-N 399.484 2.978 0 1 GFAF CN(C)CCN(C)Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O 49054652 YEZQKCLFPQPKCT-UHFFFAOYSA-N 387.487 2.931 0 1 GFAF CCOC(=O)[C@@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(C)C 40847125 IBDADVDROSFHGZ-LPHOPBHVSA-N 382.460 2.910 0 1 GFAF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OCCc3ccccn3)c12 96914048 NMPXKSARFFYUCB-UHFFFAOYSA-N 395.459 2.575 0 1 GFAF CC(C)CN1C(=O)c2ccccc2[C@H]1c1nnnn1-c1ccc2c(c1)OCCO2 95569272 XUAVTPZRLREHTI-IBGZPJMESA-N 391.431 2.635 0 3 GFAF CN[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C(C)C 299830389 MXXFZXJSHIUFOL-VXKWHMMOSA-N 395.547 2.659 0 1 GFAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc4ncccc4c3[nH]2)cc1 586931664 IJFTYGBXYCRGCB-UHFFFAOYSA-N 382.445 2.940 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCN(C)CC3)cc1)O2 587400971 RTAUWCYODOPFCK-JOCHJYFZSA-N 395.503 2.910 0 1 GFAF CC(C)Oc1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587971222 WIWYEZQLHPVNTG-ZSBIGDGJSA-N 383.198 2.611 0 1 GFAF C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874446 AZSJMKILVDEUJN-PSLIRLAXSA-N 377.372 2.709 0 1 GFAF O=c1c(-c2nc3c(O)nncc3[nH]2)cc(Br)cn1Cc1ccccc1 587005951 BJFGIZAIPPAFAD-UHFFFAOYSA-N 398.220 2.698 0 1 GFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 586941318 RXWCAWBWJAOORT-CNZFZVQHSA-N 385.449 2.685 0 1 GFAF N=C(N)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117474 CNANIYROTOZDJP-UHFFFAOYSA-N 375.314 2.766 0 1 GFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Br)nc2[nH]1 587224489 IZBUXCJKEBTGSN-SNVBAGLBSA-N 375.226 2.804 0 1 GFAF C[C@@]1(c2cccc(S(C)(=O)=O)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962763035 JSXQISWJMZKWGC-WMZOPIPTSA-N 397.418 2.999 0 1 GFAF Cc1c[nH]c(CN(C)Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)n1 11663256 HESPDLDXVFOGSY-FQEVSTJZSA-N 386.540 2.966 0 1 GFAF C[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)Cn1nc2ccccn2c1=O 13782778 FGQBZZXQUXZMDJ-INIZCTEOSA-N 385.899 2.608 0 1 GFAF O=C(NCc1ccc(CNS(=O)(=O)c2cccnc2)cc1)c1ccc(F)cc1 1857544302 ASQKANCHQVUCKO-UHFFFAOYSA-N 399.447 2.629 0 1 GFAF C[C@H](C(=O)N[C@@H]1COc2ccccc2[C@H]1S(C)(=O)=O)c1ccc(F)cc1 1857602165 DKLUNKKXISSMIY-BJOOFOGMSA-N 377.437 2.592 0 1 GFAF Cn1c(CO[C@H]2CN(C(=O)COc3ccccc3)C[C@@H]2F)nc2ccccc21 2356299042 SWWJOXFQZAJJHU-LPHOPBHVSA-N 383.423 2.718 0 1 GFAF CNc1ccc(C(C)(C)C(=O)N[C@@H]2[C@H]3C[C@H]4C[C@@H]2C[C@@](CC(N)=O)(C4)C3)cn1 100065681 WRLITWGJOVVDNY-OEXQJKPLSA-N 384.524 2.587 0 1 GFAF Cc1ccc(CNC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(Cc5cccs5)C(=O)[C@H]24)O3)cc1 100290465 HSUDKTFLDVWKLH-ZVVDCOBXSA-N 394.496 2.655 0 1 GFAF O=C1C[S@](=O)[C@@H](c2ccc(F)c(Br)c2)N1CCc1ccccn1 28819507 DTMOOCOMIBGRNN-QMHKHESXSA-N 397.269 2.815 0 1 GFAF Cn1c(CCCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2cccnc21 26827702 DHOKAIALBTYPLM-MRXNPFEDSA-N 396.472 2.874 0 1 GFAF C[C@@H](O)[C@@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113653005 FKNJKNHEBUMLTR-CHWSQXEVSA-N 385.855 2.842 0 1 GFAF CCC1=CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1C(=COC)C(=O)OC 2356453327 VCNYNWHVJKWJRQ-VQPPSCEASA-N 382.460 2.968 0 1 GFAF O=C(O)CCCn1cnc2c(=O)[nH]c(NCc3ccc(Cl)c(Cl)c3)nc21 28356621 MNHBIUCZFHMPGK-UHFFFAOYSA-N 396.234 2.903 0 1 GFAF COc1cc2c(c3oc(=O)ccc13)[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 34524872 UOIWTKUSUJWRMQ-ROUUACIJSA-N 376.361 2.509 0 1 GFAF CCOC(=O)[C@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(C)C 40847123 IBDADVDROSFHGZ-QFBILLFUSA-N 382.460 2.910 0 1 GFAF COc1ccc2[nH]c(CN3c4ccccc4C[C@@H]3CO)c(CCNC(C)=O)c2c1 40429136 LAQHBBPRCOKTEM-QGZVFWFLSA-N 393.487 2.779 0 1 GFAF C[C@@](CC1CC1)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O 146274907 ZULXETDPENFKSY-KRWDZBQOSA-N 385.386 2.674 0 1 GFAF O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 95893346 CWRHDHQOBCTQNA-VSKRKVRLSA-N 399.450 2.711 0 1 GFAF NC(=O)c1cnc(N[C@H]2CC[C@H](N)CC2)n2cc(-c3ccc(Cl)cc3)nc12 261132106 LJIBANXVQNPFQL-HDJSIYSDSA-N 384.871 2.830 0 1 GFAF COc1nccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586955294 NZPRDNNTFJVSDF-UHFFFAOYSA-N 378.841 2.681 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1c(N4CCCC4)nc(=N)[nH]c1Cl)[C@@H](C2)C3=O 587419326 FVFPOLKAQMIYQH-ZBEGNZNMSA-N 386.839 2.640 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCS(=O)(=O)c2c(F)cccc21 963613704 VPINWWLIJSPWQN-YUNKPMOVSA-N 391.464 2.798 0 1 GFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCS(=O)(=O)c2c(F)cccc21 963613701 VPINWWLIJSPWQN-ODXCJYRJSA-N 391.464 2.798 0 1 GFAF Cc1cc2c(cc1F)[C@H]([C@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]31)NCC2 962091566 KYXZCUGCYDEVNF-RCFCFVIZSA-N 393.455 2.717 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1ccc(CO)o1 963140250 JSOHAEVKYGIZPU-AAEUAGOBSA-N 380.422 2.564 0 1 GFAF O=C1COc2ccc([C@]3(C(=O)O)c4ccc(F)cc4C[C@@H]4CCCN43)cc2N1 963113456 TYBYBJKRWPFESR-YCRPNKLZSA-N 382.391 2.505 0 1 GFAF O=C(c1ccc(F)cc1)N1CCN(c2nc(Cl)ncc2Br)CC1 1772654479 KODAMADJHOKWQH-UHFFFAOYSA-N 399.651 2.994 0 1 GFAF O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1cccnc1 13589868 QAEIFEZJZWOQHB-LJQANCHMSA-N 389.411 2.760 0 1 GFAF Cc1c(F)ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)c1F 1857633311 LKAYZPMXQXWSGB-ZDUSSCGKSA-N 396.415 2.593 0 1 GFAF COc1cc(/C=C2\C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1O 1857651470 OIASRMSRHFGEMV-WACFDSSMSA-N 384.384 2.937 0 1 GFAF O=S1(=O)[C@@H](F)CCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 224011025 WSUPOQYBRDIAEB-SCLBCKFNSA-N 398.406 2.765 0 1 GFAF CCCCN(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCC1)S2 3027385 BCPUZOWLQIKKEP-FQEVSTJZSA-N 390.553 2.614 0 1 GFAF COC(=O)[C@@]12C[C@@H]3C[C@H](CCN(C)C)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 101971008 WUYGHHRQOSQDIC-MTDBSEBISA-N 381.520 2.797 0 1 GFAF in-vivo O=S1(=O)N=C(Nc2ccccc2Br)Nc2c(O)cc(F)cc21 28822739 CTSSEROLMFDPHL-UHFFFAOYSA-N 386.202 2.876 0 1 GFAF O=C(C1CC1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1 28870249 OPXKTKGFJWBHKL-UHFFFAOYSA-N 385.508 2.527 0 1 GFAF COC(=O)C[C@@H]1CO[C@](C)(O)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 2356490455 JFXKBFPAEBJNEN-XQFMJNEYSA-N 384.476 2.621 0 1 GFAF COc1cc2c(c(O)c1OC)C[C@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 6169436 FPYJVRGUUHPBBB-ZDUSSCGKSA-N 385.416 2.899 0 1 GFAF biogenic C[C@@H](O)CN1CCN(CC[S@@](=O)C(c2ccccc2)c2ccccc2)CC1 224984117 NHPORSWAQBHGFF-XHCCPWGMSA-N 386.561 2.523 0 1 GFAF C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 45318331 HXOYNKLVHFVKKC-RDTXWAMCSA-N 378.480 2.865 0 1 GFAF CCOC(=O)Cn1c(=O)n(CC2CCCCC2)c(=O)c2cc(Cl)ccc21 95564253 IJFISXCDULUPQV-UHFFFAOYSA-N 378.856 2.960 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 95667069 VHBSRVLFRKDQJQ-NHCUHLMSSA-N 379.504 2.821 0 1 GFAF Cn1cc([C@@H]2NC(=O)N[C@H](c3ccc(C(=O)O)c(O)c3)[C@H]2c2ccsc2)cn1 261128471 KQQKKFDAXNYXTL-ZACQAIPSSA-N 398.444 2.764 0 1 GFAF COC(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cn1 587245455 TUJAYSNHOIMKAA-UHFFFAOYSA-N 391.391 2.863 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CN[C@@H](C(=O)O)[C@@H]32)N1 587794411 MOLXFCBHTUDALH-RYJFUYJCSA-N 397.288 2.790 0 1 GFAF CCC(CC)NC(=O)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867858 PJUSZQVSNXMRFO-UHFFFAOYSA-N 384.358 2.918 0 1 GFAF COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(F)cc1 587649895 MLTAJEBZKBBNOG-UHFFFAOYSA-N 375.377 2.728 0 1 GFAF O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1C(=O)c2ccccc2OS1(=O)=O 957624389 YITSGCKTRUMHBN-AWEZNQCLSA-N 385.319 2.618 0 1 GFAF COC(=O)c1ccc(C=O)c([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963233746 QAICFZHAFQCRNX-UXHICEINSA-N 390.395 2.522 0 1 GFAF CCCNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccccc1 1772657036 UXKUSSXRYWHIRN-HXUWFJFHSA-N 397.500 2.810 0 1 GFAF NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)COc1ccc(Cl)cc1 13587003 KOIZXQKDVNKPPO-UYAOXDASSA-N 389.927 2.903 0 1 GFAF COc1cc(Cc2nc3c(N)ncnc3n2CC2(C)CC2)cc(OC)c1OC 13839090 IZSBKXNHYUTSLZ-UHFFFAOYSA-N 383.452 2.825 0 1 GFAF CCOc1cc([C@@H]2[C@H]3C(=O)CCCC3=Nc3nc(C(=O)OC)nn32)ccc1OC 8672163 CCCOBMJSQRJWQA-IAGOWNOFSA-N 398.419 2.517 0 1 GFAF CCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CCOC 8762986 RGBSTAYYVOCRDD-UHFFFAOYSA-N 397.431 2.740 0 3 GFAF CCOC(=O)N1[C@H]2CC[C@H]1CC(N1CC[C@@H](NC(=O)c3ccccc3C)C1)C2 101505645 PAINGJCKTPURNG-SQNIBIBYSA-N 385.508 2.951 0 1 GFAF O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCN(Cc2cccc(F)c2)CC1 23250584 LTQZZGIUEQBKEK-GOSISDBHSA-N 387.499 2.651 0 3 GFAF C[C@H](CN1CCCCC1)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1ccccc1 25966942 XJAZQNWIEIGPLN-MJGOQNOKSA-N 386.492 2.668 0 1 GFAF c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCOCC4)c3)cc2cn1 58568923 SEYQRQBRHJEPCK-UHFFFAOYSA-N 390.491 2.692 0 1 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncc[nH]4)C[C@@H]3C2)n1 116828038 QEVBCAXNRGHXGN-IAGOWNOFSA-N 388.475 2.692 0 1 GFAF O=C1N[C@H](C(=O)O)CCc2cn(cn2)CCCCOc2ccc(Cl)c1c2 103260960 NVXMKRZEAIXPMU-INIZCTEOSA-N 377.828 2.525 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@H]2CO)cc(OC)c1O 2356495450 SGRRPSBKBJVKJE-QRWLVFNGSA-N 388.416 2.633 0 1 GFAF O=c1cc(C2CCOCC2)nc(-c2ccc(CN3CCN4CCC[C@@H]4C3)cc2)[nH]1 23339999 BFYFNQSAEDSJAI-HXUWFJFHSA-N 394.519 2.611 0 1 GFAF CN1CCN(c2c(F)c(Cl)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 29399944 NHHGWWQMJGRXMV-UHFFFAOYSA-N 397.809 2.718 0 1 GFAF CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCC)c(C)c23)c1 64516198 UJYZTSMQJAXESL-UHFFFAOYSA-N 380.452 2.589 0 1 GFAF COC[C@H]1CCCN1c1cc(NC(=O)CC(C)C)nc(-n2nc(C)cc2C)n1 40410541 CKWQSSKRPNSISV-MRXNPFEDSA-N 386.500 2.879 0 1 GFAF O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCC(=O)n1ccnc1 40423226 PKMLEZGRQYNIRE-UHFFFAOYSA-N 388.383 2.701 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 95794964 ISKXUTOQGXNNDS-YBZPDRTJSA-N 397.519 2.733 0 1 GFAF CCN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847958 WHNGMNTZKOCTSB-LSDHHAIUSA-N 377.876 2.760 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)s1)(C(O)O)O2 587410736 OTLLULGHGHWKEC-HNNXBMFYSA-N 384.251 2.573 0 1 GFAF CCc1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2c1 587186216 UWAIOFRRROQBAD-UHFFFAOYSA-N 396.188 2.678 0 1 GFAF O=NCc1ccc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)cc1 587191223 WEAPYCUJJQVSGC-UHFFFAOYSA-N 386.433 2.517 0 1 GFAF CNC(=O)c1cccc(-c2cccc(Cc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)c1 587231456 AYDSHJFGMCAWEC-UHFFFAOYSA-N 392.850 2.988 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1 587232305 WHPRHTFDPQYUFK-IAGOWNOFSA-N 388.512 2.540 0 1 GFAF COC(=O)c1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cn1 587094408 RKGNTKCZXLSLSR-CQSZACIVSA-N 386.355 2.502 0 1 GFAF CN(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)S(=O)(=O)c1cccnc1 586928413 ACALYJULHXJEKT-UHFFFAOYSA-N 386.355 2.677 0 1 GFAF COc1ccc(Cl)c2c1CCN[C@@]21c2cccnc2S[C@]12CCOC2=O 963270663 QLHVCLNPMHFVOQ-OALUTQOASA-N 388.876 2.924 0 1 GFAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(O)c2-c2ccccc2)cc1 13761851 BCKFRHIUIGWJAH-UHFFFAOYSA-N 383.351 2.911 0 1 GFAF Oc1nc2c(c3nc(-c4ccccc4F)nn13)CN(Cc1ccncc1)CC2 13824530 XIVPDGOHYSPICX-UHFFFAOYSA-N 376.395 2.589 0 1 GFAF CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)[C@H]1CCC(=O)N1)c1ccccc1 4571453 NJVYCAJEZSHBDW-GCJKJVERSA-N 385.508 2.916 0 3 GFAF CCCCn1c(Cn2cnc3c(N4CCOCC4)ncnc32)nc2ccccc21 1857756461 LLOCOQLTPFTKDE-UHFFFAOYSA-N 391.479 2.861 0 1 GFAF CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)c1ccccc1 1651319 WTKXRLDGHLPYPQ-LPHOPBHVSA-N 397.475 2.512 0 1 GFAF COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccco2)C(=O)C(=O)N1c1cc(C)on1 100270131 FNCAUGWBTCCWKB-DLBZAZTESA-N 380.356 2.741 0 1 GFAF O=C(CC1=CC(=O)O[C@@H]2C=C(O)C=C[C@H]12)NC1CCN(Cc2ccccc2)CC1 27440558 CWMJQAWGJPECRR-NHCUHLMSSA-N 394.471 2.637 0 1 GFAF COc1cc(C(=O)c2n[nH]c3c(/C=C\CO)c(OC)ccc23)cc(OC)c1OC 28604085 BNUZKKPGVGPCDY-WAYWQWQTSA-N 398.415 2.834 0 1 GFAF N[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C1 29332183 LHDJHAUXLFWFHX-GFCCVEGCSA-N 385.370 2.505 0 1 GFAF CC(=O)O[C@@H](C)[C@H]1CC[C@@]2(O)[C@]3(O)C[C@H](O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C 2356448433 CZFZYEPCYFVTBZ-IEOLOFSWSA-N 392.536 2.798 0 1 GFAF COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](N)c1cc(=O)c(SC)ccc12 27711975 UIISPSQWSADMCY-URLQWDBASA-N 375.490 2.890 0 1 GFAF O=S(=O)(Nc1ccncn1)c1ccc2c(OCCn3cccc3)nccc2c1 225112056 FOZWXCVLNNSCKJ-UHFFFAOYSA-N 395.444 2.706 0 1 GFAF NC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 84671542 QJZLPNVSDFBNIH-UHFFFAOYSA-N 384.392 2.755 0 1 GFAF COc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1cccnc1 195363049 UUMOMJJBWIADAQ-YAJHFMINSA-N 377.444 2.783 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C 238781488 BMPRGPGLZWJNOP-VONRFDLSSA-N 378.465 2.897 0 1 GFAF biogenic O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cncnc2)c1=O 25411659 WDYFEQYFHCLPSB-CVEARBPZSA-N 387.443 2.957 0 1 GFAF biogenic CCOC(=O)C1=C(C)N=C(SCCC(=O)O)N[C@@H]1c1ccccc1OC 98084777 JYPKSMDSADPSKN-MRXNPFEDSA-N 378.450 2.741 0 1 GFAF O=C(O)c1ccnc(-c2cn(C3CCN(C(=O)c4ccccc4)CC3)nn2)c1 473134001 ANQUCAXLTCZJAM-UHFFFAOYSA-N 377.404 2.516 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1[C@@H](CC3)CN[C@H]1C(=O)O 586989645 NSCCMLXANLZYCS-NRBUQOBDSA-N 386.407 2.854 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C)cnc4[nH]3)c2)o1 586922847 CVUVWMJITGDDRX-UHFFFAOYSA-N 383.433 2.853 0 1 GFAF C=C1C=C(C)N2N=C(C(=O)n3nc(-c4cccc(F)c4)cc3OCC)NC2=N1 587872059 IHWZMYQUJDOSIE-UHFFFAOYSA-N 380.383 2.734 0 1 GFAF COC(=O)CCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587766759 HNWBRAPAVUQHHU-GFCCVEGCSA-N 399.304 2.977 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(n2)NC(=O)CO3)N1 587792151 LMOWXFQWLBXPCT-PWJLMRLQSA-N 392.228 2.938 0 1 GFAF COc1ccccc1-n1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cn1 963509578 OGNKTERJPXGXSF-YWZLYKJASA-N 379.416 2.583 0 1 GFAF COC(=O)c1ccc2[nH]cc([C@@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2c1 963492019 PAYLNJFMONKCNB-HTAPYJJXSA-N 394.427 2.831 0 1 GFAF CC1(C)C[C@@H](NC[C@H]2CCCO2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 5070107 JGRIESZLOZOBRQ-IEBWSBKVSA-N 388.508 2.654 0 1 GFAF CC(=O)O[C@@]1(C)C(=O)C[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2 13456066 FCDDPHHNFCRLJQ-QOLIXYQJSA-N 392.492 2.918 0 1 GFAF O=C(O)CC[C@@H](C[P@](=O)(O)Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O 13470277 SVAHMQCUSNJPRX-YFKPBYRVSA-N 390.197 2.718 0 1 GFAF COCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1CCc1c[nH]cn1 13803027 WSUZAFBNMRBOTH-FQEVSTJZSA-N 392.503 2.969 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](Cc4occc4[C@]3(C)O)[C@@]12C 2356411622 USEOLSCIUKXXRY-FBERJECYSA-N 392.492 2.529 0 1 GFAF Nc1nc(-c2cc(Cl)ccc2Cl)c(I)c(=O)[nH]1 3653779 HVRYWUNGKDMRNA-UHFFFAOYSA-N 381.988 2.931 0 1 GFAF COCCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccco1 4399979 WTGNFVKVQCZYLZ-AWEZNQCLSA-N 376.375 2.807 0 3 GFAF CC(=O)N(CCOc1ccccc1)CCc1ccc(NS(C)(=O)=O)cc1 26190012 FZRUTZRMJIJEMY-UHFFFAOYSA-N 376.478 2.528 0 1 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H]1COC(C)(C)O1 29338432 WGRGESBZCGZKAN-CYBMUJFWSA-N 399.919 2.524 0 1 GFAF COc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c(OC)c1 28524538 ROMFFQIVCXSXDI-TZIWHRDSSA-N 396.491 2.926 0 1 GFAF CC(=C[C@H](O)CC(C)=CCCCC(=O)CO)CC[C@@H](O)[C@]1(C)CCC(=O)O1 2356746471 YKUZFPGHZVFVLY-SBHAEUEKSA-N 382.497 2.599 0 1 GFAF COCc1cc2c3c(c(N)c(Cl)c(N)c3n1)N(C)[C@H]2SCCNC(C)=O 2356847184 OUNTUAWSUZHWIJ-KRWDZBQOSA-N 395.916 2.517 0 1 GFAF Cc1cc(N(C)CCCNCc2ccc3c(c2)OCO3)nc(-n2cccc2)n1 73141569 GQVBAFZCZHYQOM-UHFFFAOYSA-N 379.464 2.921 0 1 GFAF Cn1nc(N2CCCC2)nc1CCc1nc2c(Cl)cc(C(F)(F)F)cn2n1 210671481 MKVGWNBIJDGDDF-UHFFFAOYSA-N 399.808 2.915 0 1 GFAF CN[C@@H](C)C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)N[C@@H]1CCCc2ccccc21 45245227 IDROMEXQJBMJKF-APHBMKBZSA-N 398.532 2.913 0 1 GFAF C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211447 DRAPPTPDZQYOIV-CYBMUJFWSA-N 396.422 2.502 0 1 GFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@H]3c3ccccc3F)cc2N1 82149476 PCGOQTMXPHYEIV-KRWDZBQOSA-N 381.392 2.848 0 1 GFAF O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 95668149 CYPXXYZANQUULC-IFMALSPDSA-N 390.483 2.668 0 1 GFAF CCCCNC(=O)c1ccn2c(NCc3ccc(NC(=N)N)cc3)cnc2c1 653801231 BEACCZKINFJRSI-UHFFFAOYSA-N 379.468 2.782 0 1 GFAF C[C@H]1C[C@H]1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1 653773179 YGHABFAGOLUFRV-XYJRDEOASA-N 389.406 2.823 0 1 GFAF C=C1C=C(n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c2nncn2N1 587869082 AOIFOPGEJJBHCD-UHFFFAOYSA-N 375.314 2.524 0 1 GFAF CC1=C([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CN2NC=NC2=N1 587796144 PKKODQKFAHEMKB-VVVCHXIZSA-N 392.276 2.830 0 1 GFAF Cc1c(F)ccc2c1[C@@](C)(c1cccc(NS(=O)(=O)N(C)C)c1)NCC2 962376703 QGXUEACVZFLPKE-LJQANCHMSA-N 377.485 2.762 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962693081 CEGXOZNSJDGGJY-DIFFPNOSSA-N 391.468 2.884 0 1 GFAF CCOC(=O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(OC)c1 963506895 GEMJUYPZIUXOLU-QFBILLFUSA-N 385.416 2.574 0 1 GFAF COc1ccc(OCCCn2c(C(N)=O)cc3ccc(OCC(=O)O)cc32)cc1 1772644787 UBMFQQZRJUNWES-UHFFFAOYSA-N 398.415 2.681 0 1 GFAF COc1ccc2c3c1O[C@H]1C(=O)[C@H](C(C)=O)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]341 169343465 OHTVSMGBAJOEFI-XYYWPMIOSA-N 381.472 2.529 0 1 GFAF CC(C)NC[C@@H]1O[C@@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@H]1O 2356301799 FRXBYCFMJWNSRC-FCEUIQTBSA-N 387.524 2.756 0 1 GFAF Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@]2(CF)COCC(N)=N2)c1 113655224 NQNLROFWOGGJGK-SFHVURJKSA-N 394.809 2.987 0 1 GFAF in-vitro COc1cc(CC(=O)OC[C@H](COC(C)=O)OCc2ccccc2)ccc1O 26734644 JIZXRLXDKKJGTI-SFHVURJKSA-N 388.416 2.635 0 1 GFAF COc1ccc(C(=O)N2C[C@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cc1 2356422890 XBDNJAOAUXOSHD-LPHOPBHVSA-N 383.423 2.961 0 1 GFAF CO[C@]12CC3=CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]3(C)[C@@H](O)C1=C(C)C(=O)O2 2356423302 UGNBFLDDUQOMHC-JYDIPVGNSA-N 376.449 2.818 0 1 GFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccccc2Cl)n1 2356579607 BGTJKRQOHHMKRI-CUDHKJQZSA-N 389.927 2.944 0 1 GFAF NS(=O)(=O)Cc1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1 40409964 AKTVIHKKGSLCNW-UHFFFAOYSA-N 397.500 2.821 0 1 GFAF CN(CC(=O)NCc1ccccc1N)C(=O)c1csc(Nc2ccccc2)n1 82085682 XHMJXKVUIUBPCK-UHFFFAOYSA-N 395.488 2.857 0 1 GFAF CCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21 84739783 KUGVZTUWNUHAHF-UHFFFAOYSA-N 394.460 2.904 0 1 GFAF CC(=O)Nc1cc(=O)n(Cc2cc(C)cc(C)c2)c(=O)n1Cc1ccccc1 96914708 VBYPLMCIGJUBFP-UHFFFAOYSA-N 377.444 2.682 0 1 GFAF COc1ccccc1C(=O)Nc1cc2c(cc1C1CCNCC1)n(C)c(=O)n2C 653823130 CWSRWQQUQLULGQ-UHFFFAOYSA-N 394.475 2.605 0 1 GFAF N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C1COC1 587256605 JUOGGYZSAJXOGS-MRXNPFEDSA-N 392.868 2.663 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 586945883 COPLFVTXWBASCI-LBPRGKRZSA-N 392.868 2.736 0 1 GFAF Nc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1N 587187389 FYTRKLKKIMUQIC-UHFFFAOYSA-N 390.188 2.647 0 1 GFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799122 WHDWIBSTQPQBIB-JUUUZZERSA-N 397.288 2.821 0 1 GFAF CC(C)(C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cncn1 587661441 OHPPMMZVOCIRGY-UHFFFAOYSA-N 377.379 2.870 0 1 GFAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232618 WLNAXQSZYGJVHC-UHFFFAOYSA-N 382.445 2.760 0 1 GFAF COCCCN=c1[nH]c(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587449104 DZVSEYHKYODLBM-JLTOFOAXSA-N 388.489 2.993 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(=O)c(C(=O)O)c[nH]c3c1)O2 587393897 BJWVXRDDDHWQLF-NRFANRHFSA-N 378.384 2.998 0 1 GFAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(Cl)ncnc2[nH]1 586946360 VPOZYQIDBIRGOH-UHFFFAOYSA-N 395.853 2.806 0 1 GFAF COc1cc2c(cc1OC)[C@@H](c1cn[nH]c1)N(C(=O)c1ccccc1N)CC2 963135931 GHNIGJKKQMQYQL-HXUWFJFHSA-N 378.432 2.797 0 1 GFAF Cc1c(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2n1S(C)(=O)=O 1772631398 VAZLTTSEHQEWDW-YIONKMFJSA-N 376.478 2.539 0 1 GFAF CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(S(C)(=O)=O)cc2)cc1 13686058 NREVZZLRLIFPFR-UHFFFAOYSA-N 397.504 2.886 0 1 GFAF CS(=O)(=O)N(CC(=O)NC1CCC1)c1cc(C(F)(F)F)ccc1Cl 169342030 SYOQFKZKJYJENQ-UHFFFAOYSA-N 384.807 2.794 0 1 GFAF C[C@@H]1CN(CC2CCCCC2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205443412 ZSUJPDOSWCXSCU-QAPCUYQASA-N 399.539 2.927 0 1 GFAF Cc1ccc(S(=O)(=O)n2c(C(=O)C(=O)N3CCCC3)cc3ccccc32)cc1 1857561408 PPNIYSALHPSQED-UHFFFAOYSA-N 396.468 2.992 0 1 GFAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc([C@@H](C)O)nc12 6718848 KDHJNMHGCNOHTL-GFCCVEGCSA-N 381.415 2.576 0 1 GFAF CO[C@@H]1CCCN(CCCCn2cnc3c(=O)nc(Nc4ccccc4)[nH]c32)C1 13644940 HDYMZDLRTYUGIJ-QGZVFWFLSA-N 396.495 2.754 0 1 GFAF CC1(C)N=C(N)N=C(N)N1c1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 16955943 RYHVUGVIPRGKFJ-UHFFFAOYSA-N 399.886 2.847 0 1 GFAF CCN1CCN(C(=O)[C@H](C)n2nc(C)c3sc4ccccc4c3c2=O)CC1 20466938 NPFMGKNCGBRDRB-AWEZNQCLSA-N 384.505 2.645 0 1 GFAF CCCCNC(=O)n1nc(-c2cccc(N)c2)c2cc3c(cc2c1=O)OCO3 26731033 ZXFHHGLKRHXYCS-UHFFFAOYSA-N 380.404 2.732 0 1 GFAF Cn1ccc(=O)c2cc(N)c(N3CCN(c4nc5ccccc5o4)CC3)cc21 40392890 RVDAWIZVBURQKY-UHFFFAOYSA-N 375.432 2.589 0 1 GFAF COc1ccc(C)cc1NC(=S)OCCNC(=O)c1ccccc1C(=O)O 40938977 GUBKDYSSWDOPPO-UHFFFAOYSA-N 388.445 2.845 0 1 GFAF O=C(NC(=S)Nc1ccccn1)c1ccccc1C(=O)OCC(F)(F)F 68576338 ASYGUJKCJAKGSY-UHFFFAOYSA-N 383.351 2.928 0 1 GFAF biogenic COc1ccccc1-n1c(S)nnc1-c1csc(N(C(C)=O)C(C)=O)n1 96916128 AORDZTKNRXEYHD-UHFFFAOYSA-N 389.462 2.588 0 1 GFAF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccsc1)C1=C(O)c3ccccc3C1=N2 103529377 NVMXVQLMCGAKCS-ZDUSSCGKSA-N 377.425 2.695 0 1 GFAF NCC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1 113650844 ITDPQZHRPNERLI-UHFFFAOYSA-N 384.871 2.810 0 1 GFAF CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccncc2)CC1 204964980 NZBQIRBBHQQEPV-UHFFFAOYSA-N 387.505 2.531 0 1 GFAF CC(C)C[C@H](NC(=O)c1cccc(-c2ccncc2)c1)C(=O)N(C)N(C)C#N 205355644 CBSKIJPTSBDIFC-IBGZPJMESA-N 379.464 2.679 0 1 GFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C(C)=O)C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 253638109 OHTVSMGBAJOEFI-DRNJTMITSA-N 381.472 2.529 0 1 GFAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)s1 587023985 YKQBOTVEUIRXKF-UHFFFAOYSA-N 395.466 2.681 0 1 GFAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963029399 RTSLSMAVWJNFTN-FPTDNZKUSA-N 377.444 2.724 0 1 GFAF CCc1nnc2n1CC[C@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857637524 FMIRMSNWLXYYFB-HNNXBMFYSA-N 391.454 2.847 0 1 GFAF C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356506442 CSKIDXJFNAYMTR-QXPQJPSRSA-N 390.520 2.575 0 1 GFAF CO[C@@H]1C[C@](C)(NC(=O)c2ccccc2)[C@](O)(C(=O)c2ccccc2)[C@@H](C)O1 2356699375 QATRQQPVLUNGNR-RWBNYIAVSA-N 383.444 2.570 0 1 GFAF Cn1c(C(=O)NCCN2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21 4938931 LGNCXAFZGQXOJZ-UHFFFAOYSA-N 380.492 2.636 0 3 GFAF aggregator O=C(NCC1CCCCC1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61907690 OWCLXKPHPZGGMJ-GVDBMIGSSA-N 390.505 2.790 0 3 GFAF O=C(NCc1ccc(F)cc1)C1=CC2=N[C@H](C3CC3)C[C@@H](C(F)(F)F)N2N1 104038692 QEKWOVMJHIIPQN-ZFWWWQNUSA-N 382.361 2.658 0 3 GFAF C[C@@H](NC(=O)[C@@H]1C(=O)N(CCO)[C@@]2(C)C[C@H]1c1ccccc1O2)c1ccccc1 251527994 MFKFSVAFSUHGOG-NCTNWIFASA-N 394.471 2.597 0 3 GFAF COC(=O)Cc1c(C2=Nc3ccccc3[C@@]2(O)CC(=O)OC)[nH]c2ccccc12 1858480 WBWVDTAYKSZQHO-QFIPXVFZSA-N 392.411 2.769 0 1 GFAF CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@@H]3CCC(=O)N3)ccc21 3246020 UMVPKJUKNYUJFC-INIZCTEOSA-N 379.416 2.575 0 3 GFAF CCc1nnc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)s1 4164495 CPEZDFKUCPUWGR-VZAMPYOESA-N 394.456 2.664 0 1 GFAF CC(=O)O[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356412497 RONVFHDKERFTPP-AWERZHGRSA-N 394.552 2.899 0 1 GFAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CC[C@@H](O)C1 26399620 PIGUGTOVAHBMHD-LPYKTLRWSA-N 382.504 2.543 0 1 GFAF O=C(NCCCN1CCOCC1)c1ccc2nc(N3CCCCC3)sc2c1 20414970 XYHWIEUGUHOLDO-UHFFFAOYSA-N 388.537 2.739 0 1 GFAF CN1C(C(=O)Nc2nccs2)=C(O)c2c(ccc3ccccc23)S1(=O)=O 28094442 GUBZEZQETZYHIO-UHFFFAOYSA-N 387.442 2.796 0 1 GFAF Cc1cnc(NC(=O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)s1 64416751 IIEFTFZCMYFRRL-SDQBBNPISA-N 375.431 2.793 0 1 GFAF CNc1c(Br)cnc2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc12 84605340 NMEDVSWWBXEVFM-UHFFFAOYSA-N 381.255 2.833 0 1 GFAF OCCn1cc(-c2cc(CO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144910848 NEZGDXCKCVDFHS-LJQANCHMSA-N 390.361 2.813 0 1 GFAF CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccccn2)n1 299839545 YPAGKZRGNWDPCR-UHFFFAOYSA-N 384.465 2.564 0 1 GFAF COc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2cn1 586954978 QGJZGEJNCPUUNK-UHFFFAOYSA-N 386.477 2.843 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587002850 HPWBQKUECAUKOM-UHFFFAOYSA-N 392.238 2.516 0 1 GFAF COC(=O)C[C@@H](C(=O)OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992142 ORSBUXJTUKWCPT-CQSZACIVSA-N 391.379 2.972 0 1 GFAF Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(N)=O 587578563 RHBSSCLSWFUTAK-LAUBAEHRSA-N 378.384 2.707 0 1 GFAF Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1NCCc2c1sc(C)c2C 963012412 QCSAERLDEPDKGY-RHSMWYFYSA-N 379.551 2.773 0 1 GFAF COc1cc([C@@]2(C(=O)O)NCCc3cc(C)c(F)cc32)cc(OC)c1OC 962091386 KJJCAGANHHPMNH-HXUWFJFHSA-N 375.396 2.634 0 1 GFAF O=C1[C@H]2CCCCN2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 13760044 SWCCQPRTNNEVAJ-MRXNPFEDSA-N 396.413 2.602 0 1 GFAF O=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)ccc1F 3020465 CRUSKWYLNQDMLX-UHFFFAOYSA-N 376.453 2.583 0 3 GFAF COC[C@H]1CCCN1c1cc(NCC(F)(F)F)nc(-n2nc(C)cc2C)n1 103225547 XNCPZNBFPUTRIL-CYBMUJFWSA-N 384.406 2.869 0 1 GFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 2356292249 FSZJBTPFNLNXMX-XLAORIBOSA-N 395.377 2.722 0 1 GFAF COc1ccc([C@H](C)NC(=O)[C@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100795791 QXDNINQOTQLSMY-YVSNODRUSA-N 380.444 2.901 0 1 GFAF CO[C@H]1[C@H](CCC(C)C)O[C@@H](OCC(=O)O)[C@H](OCc2ccccc2)[C@H]1OC 27648380 VAEAPLDXQLTUQK-OFOKGCAXSA-N 396.480 2.864 0 1 GFAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)Cc1cc(F)ccc1F 61904435 NYNOYVNMOZESPM-FQEVSTJZSA-N 388.370 2.866 0 3 GFAF CC(C)N1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc32)C1=O 35967605 IZAKWUYYBFHUAR-LBPRGKRZSA-N 384.411 2.516 0 1 GFAF COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@H]3COC(=O)[C@H]32)cc(OC)c1OC 3825643 RINWQCSDWSZGDJ-GESALYCCSA-N 386.400 2.601 0 1 GFAF biogenic CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2cccs2)[C@H]1NC(C)=O 213835148 BPGZCCJLABIAJA-RCCFBDPRSA-N 380.510 2.700 0 1 GFAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3c2C(=O)NC3)c1 72316884 UOBUBZWFFCOCAE-DLBZAZTESA-N 376.464 2.931 0 1 GFAF Cc1cnc(NC2CC2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(F)c2)c1 89469347 QDQITMHXGWXYFL-GOSISDBHSA-N 395.438 2.957 0 1 GFAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 86010689 BMPRGPGLZWJNOP-MHJXJGQVSA-N 378.465 2.897 0 1 GFAF in-man CCCCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085285 CIJZIYGTRGVNEV-OAHLLOKOSA-N 385.420 2.591 0 1 GFAF O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 82195576 NFZOZVSYZQVXRK-ZDUSSCGKSA-N 387.383 2.869 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(OCC4CC4)ncn3)C2)cc1 142236046 GHVTWMAXUAZEJT-AWEZNQCLSA-N 382.464 2.730 0 1 GFAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(OC[C@@H]2CCCO2)n1)C(=O)NC 143381299 ZAAUOWYTSXDXKI-HNNXBMFYSA-N 389.496 2.551 0 1 GFAF CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1)C(C)(C)C 149224201 WDYJUOUECDTFRD-LLVKDONJSA-N 381.782 2.567 0 1 GFAF Cc1cc(C)nc(NC(=S)N2CCN(c3cccc([S@](C)=O)c3)CC2)c1 95569010 FQLMJTCANRFNAC-AREMUKBSSA-N 388.562 2.955 0 1 GFAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccccc1F 95568567 VMMBEADWAKWRES-OAQYLSRUSA-N 379.439 2.941 0 3 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CN(Cc2cccnc2)C(=O)C2CC2)cc1 95871787 FWBYITSNAQTJQU-KWULKXFFSA-N 391.515 2.970 0 1 GFAF COc1cccc(CO)c1C(=O)N1CC[C@H]2CN(c3nc4ccccc4o3)[C@H]2C1 261155212 PSQXKRHIUSUALS-YOEHRIQHSA-N 393.443 2.680 0 1 GFAF COc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)on2)cc1OC 621431126 OAGLAKFANMFFPE-MRXNPFEDSA-N 382.416 2.692 0 1 GFAF COc1ccccc1OC[C@H](O)CN1CCC(N2Cc3ccccc3C2=O)CC1 473145553 WWJPTIQVZZTQLJ-LJQANCHMSA-N 396.487 2.555 0 1 GFAF COC(=O)CCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587762664 ZEDBBOXVDUBKDP-BMLIUANNSA-N 396.260 2.971 0 1 GFAF COC(=O)C[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587763798 MQDNHUAFFJKCMK-DYZYQPBXSA-N 396.260 2.663 0 1 GFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)nc(Cl)c2[nH]1 586929369 AZKFVSQFQNYHIR-UHFFFAOYSA-N 387.248 2.800 0 1 GFAF COC(=O)[C@]1([C@@H]2CCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587805549 HKOLSVUQTKEZSP-VKHBWIJISA-N 384.245 2.860 0 1 GFAF O=S(=O)(Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C1CCCC1 586924246 MXRLAXVTPBLAFB-UHFFFAOYSA-N 396.412 2.714 0 1 GFAF CCc1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1 587180697 JVRRNGXORRGIMR-UHFFFAOYSA-N 396.188 2.829 0 1 GFAF COc1cc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)nn1-c1ccccc1F 587155927 IWMUFYSTSSAVSP-UHFFFAOYSA-N 386.408 2.967 0 1 GFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 1772636269 LSNKGZBUULWFKF-ZDUSSCGKSA-N 392.198 2.831 0 1 GFAF CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cccc(C(=O)OC)c2)C1 12449502 QVJBXJLMTMDTJA-FQEVSTJZSA-N 381.476 2.995 0 1 GFAF COc1ccccc1C[C@H](O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C 12662921 GTNAWQUISZAGQC-DLBZAZTESA-N 385.460 2.955 0 3 GFAF C/C=C1\CO[C@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C=C1C=C(C)C 13828926 ONQKJHIYDLSEGV-FXZAEMTOSA-N 388.430 2.605 0 1 GFAF CC(C)C(=O)/N=c1/[nH]c2c([nH]1)[C@H](C)c1[nH]c(NC(=O)c3ccccc3)nc1CC2 14887723 YCDCJHKBEHWEIQ-LBPRGKRZSA-N 392.463 2.652 0 1 GFAF biogenic CCOC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1CC 14974212 BNIIGLKXXNSSKW-UHFFFAOYSA-N 397.435 2.812 0 1 GFAF O=C(O)[C@H]1C2CCC(CC2)[C@@H]1N=c1[nH]c(-n2ccc3ncc(F)cc32)ncc1F 1857554263 HPTDPXDKVAMJAL-VOGSPBGVSA-N 399.401 2.817 0 1 GFAF O=C(O)c1cn(C2CC2)c2c(F)c(N3CC[C@]4(CCNC4)C3)c(F)cc2c1=O 26380550 DIPMYZYJRMTQNH-FQEVSTJZSA-N 389.402 2.503 0 1 GFAF CNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(C(F)(F)F)ccc21 26575859 RDUBQTUCZZOSIL-UHFFFAOYSA-N 375.350 2.635 0 1 GFAF Nc1ccc2cccc(O[C@H]3CCN(C(=O)c4ccc5c(c4)OCO5)C3)c2n1 28379976 MTMCNRBAEVKVEQ-HNNXBMFYSA-N 377.400 2.839 0 1 GFAF COc1cc(-c2nnc(S(=O)(=O)Cc3ccccc3)o2)cc(OC)c1OC 28649004 OCTYMAJVMRUWPB-UHFFFAOYSA-N 390.417 2.736 0 1 GFAF CN1CN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O 40575674 IXJCAHJNPXBJPQ-SFHVURJKSA-N 397.475 2.534 0 1 GFAF COc1ccc(Cn2cnc3c4nc(=O)n(Cc5ccccc5)c-4ncnc32)cc1 66073893 DYNUTYRYCZYXBF-UHFFFAOYSA-N 398.426 2.593 0 1 GFAF COc1ccccc1C(=O)NC[C@@]1(N2CCN(C)CC2)CCc2ccccc2C1 72179738 DXJDRYFGOJIXGT-XMMPIXPASA-N 393.531 2.600 0 1 GFAF O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CN1C(=O)c2ccccc2C1=O 95872248 LRPSJAPNXHWPGP-OLMNPRSZSA-N 398.459 2.555 0 1 GFAF COc1cc(S(=O)(=O)c2ccc3c(c2)COC3)cc2c3c(oc12)CCNC3 147517130 HVOSSBXAWLAMAY-UHFFFAOYSA-N 385.441 2.950 0 1 GFAF Cn1c(=O)cc(Oc2ccc(F)cc2F)c2cnc(NCC(C)(C)O)nc21 169328258 KOKXXPKAPFSRCR-UHFFFAOYSA-N 376.363 2.582 0 1 GFAF Cc1ccc(-c2c(-c3nc(C)n4ncnc(N5CC(F)(F)C5)c34)cnn2C)nc1 169697336 UQZFJCOHWPWLDX-UHFFFAOYSA-N 396.405 2.659 0 1 GFAF CC[C@H](O)CC[C@]1(CO)[C@H]2CCC3=C4[C@@H](CC3)[C@@H](C(=O)OC)C[C@]41CN(C)C2 238765781 DDDLFHVAWJOBHX-VYAQIDIUSA-N 391.552 2.758 0 1 GFAF COc1ccc2c3c1O[C@@H]1C4(CC[C@@H]5[C@@H](C2)N(CC2CC2)CC[C@@]351)OCCO4 263613539 ZKNHXBONWOGIMA-YAKVFXAGSA-N 383.488 2.888 0 1 GFAF COc1cc(N)c(I)cc1-c1nc2ccnc(O)c2[nH]1 587179551 ZNXVIASCQNPTER-UHFFFAOYSA-N 382.161 2.526 0 1 GFAF Nc1ccc2oc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cc2c1 587252670 IKAUVPRBQFYTTR-UHFFFAOYSA-N 398.444 2.579 0 1 GFAF COC(=O)CN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587770991 UTACGHUHHSIYEW-LLVKDONJSA-N 385.277 2.587 0 1 GFAF CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)CNC2CCCCC2)c1 1772570826 KZJKTDHDRFRRBI-GOSISDBHSA-N 393.484 2.763 0 1 GFAF COC(=O)c1c[nH]c2cc(N3CCN(c4ccccc4)CC3)c(OC)cc2c1=O 1772614122 FMSBTSVMQBGKDC-UHFFFAOYSA-N 393.443 2.650 0 1 GFAF CCOC(=O)c1c[nH]c2ccccc2c1=Nc1cccc(NS(C)(=O)=O)c1 1911578068 ZAXWFSSGAMZORJ-UHFFFAOYSA-N 385.445 2.949 0 1 GFAF OC[C@@H]1[C@H](O)C[C@H](NCc2cccc(Cl)c2)[C@@H]1Cc1ccnc(C2CC2)n1 2356288646 ILMHFLKWCMXTMV-FUMNGEBKSA-N 387.911 2.698 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)C2=C1C[C@@H]1C(=CO[C@H]3C=C(C)C(=O)O3)C(=O)O[C@H]21 2356706288 AOHYMVJOAOUQHB-YMCQQKJTSA-N 388.416 2.710 0 1 GFAF Cc1cnc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)[nH]1 12302875 UECURFIIPSRNCE-MRXNPFEDSA-N 388.899 2.811 0 3 GFAF C[C@H](NC(=O)[C@@H]1C(=O)N(CCO)[C@@]2(C)C[C@H]1c1ccccc1O2)c1ccccc1 251527965 MFKFSVAFSUHGOG-IYTNZHEVSA-N 394.471 2.597 0 3 GFAF C=C[C@](C)(O)[C@@H]1O[C@H](O)[C@]2([C@H](C)CC[C@]3(C)C(C)=CC(=O)C[C@H]32)[C@H]1OC(C)=O 15197047 JSXIGGBTRHPWSB-FTIKVVDVSA-N 392.492 2.530 0 1 GFAF biogenic CC(C)NC[C@@H](O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1 25970982 ADDQCNYUROCHIW-HXUWFJFHSA-N 397.581 2.962 0 1 GFAF CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)OCCCc1ccncc1 27298464 JMLRFOPJGOEVRD-SQNIBIBYSA-N 386.492 2.942 0 1 GFAF CC(C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@@H](C)S2)CC1 27525269 FLBXKHJEHCERTE-LLVKDONJSA-N 391.468 2.993 0 1 GFAF C[C@@H](O)CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F 28643561 QVYGGHDHIMDIHA-CYBMUJFWSA-N 378.411 2.868 0 1 GFAF CCn1nccc1Nc1cc([C@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn12 66101691 RLJPBCQMVIJTBN-AWEZNQCLSA-N 391.483 2.557 0 1 GFAF CCOc1ccc(CCNc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)cc1 82212941 HTJRPXIMDIFJJC-GOSISDBHSA-N 383.496 2.553 0 1 GFAF CCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(F)cc1 82214900 XJHRPKHSHGDDPZ-OAHLLOKOSA-N 399.470 2.514 0 1 GFAF CCN(CC)C(=O)Nc1ccc(C(C)=O)c(OC[C@@H](O)CNC(C)(C)C)c1 95535585 MTRCKENOZJYBHA-INIZCTEOSA-N 379.501 2.891 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)O[C@H]2[C@H]3CC4C[C@@H]2C[C@](CO)(C4)C3)C1 101371150 OMHBDFLGWZXMSG-KXHPMRHCSA-N 394.512 2.909 0 1 GFAF O=C(O)C[C@H]1CC[C@H](c2ccc(N3CCOc4ncnc(O)c4C3=O)cc2)CC1 101693282 OLFUJHSJGGHZHG-OKILXGFUSA-N 397.431 2.970 0 1 GFAF COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccccc2)N2CCC[C@H]32)cc1 169311505 NMGOVUSWQPVCMX-UAFMIMERSA-N 390.439 2.530 0 1 GFAF O=C(CCN1C(=O)N[C@@H]2CCCC[C@@H]2C1=O)NCCSCc1ccccc1 212537007 QNEGWKJMPNINBU-DLBZAZTESA-N 389.521 2.537 0 1 GFAF C[C@H]1CN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S(=O)(=O)C1 223993470 MHPZNUCALZUBKC-WFASDCNBSA-N 394.443 2.715 0 1 GFAF O=C(c1ccccc1)c1cccc(/C=c2\nc(O)/c(=C/c3ccccc3)nc2O)c1 377805982 CVGMRSYMFMQURW-BMJUYKDLSA-N 394.430 2.776 0 1 GFAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(C)C 586933845 YSIPURCNZBEMIP-INIZCTEOSA-N 380.514 2.681 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)N1 587794044 SMXUYAGDBOEOBO-XRFBTCTNSA-N 395.316 2.935 0 1 GFAF COC(=O)c1n[nH]c(-n2cccc2[C@@H]2c3c(F)cccc3C[C@H]3CCCN23)n1 963101275 JTAYGNCIVBVQSI-CXAGYDPISA-N 381.411 2.631 0 1 GFAF COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCCNCC4)cc3)oc12 1857584431 CXASBLCGPKVNJK-UHFFFAOYSA-N 382.416 2.680 0 1 GFAF CCn1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 1857751933 XFCQXLRAPPNJHD-LAQFHYBYSA-N 393.413 2.610 0 1 GFAF C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356315468 BBSJMECOWBMUCF-UFDVMBDDSA-N 380.525 2.669 0 1 GFAF CC=C(O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O)C(=O)O 2356474913 IBSXOQJJZICENO-ROUUACIJSA-N 388.372 2.942 0 1 GFAF CCO[C@@H]1OC(C(N)=O)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO 13656393 HNICZBBULWJTJU-VWKPWSFCSA-N 386.448 2.536 0 3 GFAF OCC[C@H]1CN(Cc2ccc3nsnc3c2)CCN1CCc1ccccc1 22920459 WRJCEMYERWUWGR-IBGZPJMESA-N 382.533 2.803 0 3 GFAF O=C(Nc1ccccc1)c1cc([C@@H]2COCCN2C(=O)c2ccccn2)on1 61906838 ZDFJJIOMPXCEEK-KRWDZBQOSA-N 378.388 2.536 0 3 GFAF O=C1NC(=S)N/C1=C/c1ccc2cc(-c3ccc4c(c3)COC4=O)ccc2n1 101464050 OSQRGLXSBOLHDS-GIJQJNRQSA-N 387.420 2.917 0 1 GFAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@H](c2ncccn2)C1 116977950 MUIRDYRQXQZONR-KGLIPLIRSA-N 379.468 2.575 0 1 GFAF CC(=O)O[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC=C(C)[C@@H]3C2)OC[C@H](O)[C@@H]1O 2356400029 NTUCDCCCTFLXCV-IIWZJXAKSA-N 396.524 2.954 0 1 GFAF CCOc1cc([C@@H](CC(=O)OC)N2C(=O)c3ccccc3C2=O)ccc1OC 26637665 LKZVGVHQSZSUFD-MRXNPFEDSA-N 383.400 2.994 0 1 GFAF O=C1C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H](c2ccccc2)C1 28712935 INAIPMPSUALWTD-VXKWHMMOSA-N 378.472 2.993 0 1 GFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2cccnc2)O3)c1 61897064 GHZAWRMSNFFUNE-FQEVSTJZSA-N 388.427 2.722 0 3 GFAF Cc1cc(C(=O)N2CCOC[C@@H](Oc3ccc(C(F)(F)F)cc3)C2)n(C)n1 2356755447 LZWMYBVBSBHDLZ-HNNXBMFYSA-N 383.370 2.667 0 1 GFAF CCCCN[C]1NC2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]3(C)[C@H]2CC(=O)O)S1 2356844822 WCDXFSLEEJUPMV-BYJKBRCZSA-N 397.561 2.641 0 1 GFAF CCCC(=O)NC1CCN(CCNC(=O)c2nn(C(C)C)c3ccccc23)CC1 29566601 VEPUKABGEROEBM-UHFFFAOYSA-N 399.539 2.728 0 1 GFAF NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1 28712024 NPKDGTGKGPCJNS-UHFFFAOYSA-N 378.303 2.926 0 1 GFAF OC[C@H]1O[C@@H](n2c(Cl)c(Cl)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 33505292 MGOAGVAGQMJWIE-UORFTKCHSA-N 387.046 2.866 0 1 GFAF CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CCNC(C)=O 82186219 DKNSVARRZZLECJ-UHFFFAOYSA-N 382.468 2.937 0 1 GFAF O=S(=O)(c1ccccc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 263590265 FNKBMZUNURGUOV-DOMZBBRYSA-N 380.828 2.903 0 3 GFAF CN(C)C/C=C/C(=O)OC[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 621477341 GNMUQSDXKHAYKF-DRDHIDPGSA-N 387.455 2.820 0 1 GFAF Cn1cccc1C(=O)N1CCN2C(=O)c3ccncc3[C@]21c1ccc(Cl)cc1 299871106 XTGQCIITASURIH-OAQYLSRUSA-N 392.846 2.886 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)C)nn(C)c1N1CCOCC1)O2 587391156 PRYOTOAAHHAWDX-KRWDZBQOSA-N 384.480 2.977 0 1 GFAF CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CN2NC=NC2=N1 587793827 LMFXPNLUTCJPJO-HUTHGQBESA-N 392.276 2.830 0 1 GFAF CN1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C(F)(F)F)N1 587557430 ROQDFWXIDIDVLJ-PZLGEANOSA-N 394.349 2.720 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cnc(OC)nc1)CC2=O 587488097 HHCDPXBYFIXJDY-FQEVSTJZSA-N 386.404 2.567 0 1 GFAF Oc1nccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587188773 WMVQHBBZNYCYGU-UHFFFAOYSA-N 377.145 2.583 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c1 587021310 HHZQLEXVHLEVDH-SNVBAGLBSA-N 380.495 2.818 0 1 GFAF CCCN1C=C(C(=O)O)[C@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2ccccc21 962905254 DCKAGPWKHICQMA-PGRDOPGGSA-N 396.418 2.867 0 1 GFAF CCn1ncc2cc3nc(c21)CCCO[C@H](O)[C@H](c1ccccc1)NC(=O)N3 1772574518 SPHRYCNMOJOQJP-HKUYNNGSSA-N 381.436 2.595 0 1 GFAF Cc1c2ccccc2nc2c1c(C(F)(F)F)nn2CC(=O)N1CCOCC1 1772647222 QRBPTNLRNBPTJW-UHFFFAOYSA-N 378.354 2.771 0 1 GFAF C[C@H](CN(C)C)C(=O)c1ccc(OS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13741942 SZUHJWJQFZTBMP-CYBMUJFWSA-N 391.445 2.533 0 1 GFAF CNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 169342736 HFZBTEKWFVRYDZ-UHFFFAOYSA-N 396.882 2.990 0 1 GFAF O=C(c1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cn12)N1CC(O)C1 1857562263 FLKKGYWDUVREGM-GOSISDBHSA-N 398.413 2.771 0 1 GFAF CCC[C@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 7999479 JPAYKFOGOBDDJL-FOUBCARRSA-N 396.443 2.750 0 3 GFAF O=C(NCc1ccccc1)OCCN1CCN(Cc2ccccc2)CCC1=O 8680083 KFQXTOADPQYQSW-UHFFFAOYSA-N 381.476 2.647 0 3 GFAF COc1c([C@H](O)[C@@H]2CCCN(Cc3ccccc3)C2=O)ccc2c1OCCO2 103295596 RERRMLWHLKBPME-HKUYNNGSSA-N 383.444 2.939 0 1 GFAF CC(C)N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 101468077 UHFOOJOVKSJDJK-WKILWMFISA-N 385.430 2.861 0 1 GFAF CC(C)S(=O)(=O)NC[C@@H]1CC(c2ccc(-c3cccnc3)c(F)c2)=NO1 103248010 IIMPBBFTVGOKCF-HNNXBMFYSA-N 377.441 2.709 0 1 GFAF O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](Cc3ccccc3)[C@@]23C=C[C@H]1O3 100846347 FFCSIQDHUAMNEF-IFUXXNRASA-N 375.424 2.665 0 1 GFAF O=C(Nc1cccnn1)N1CCN(c2cc(-c3ccc(F)cc3F)ncn2)CC1 103267362 QMLUKFKNJYGUOW-UHFFFAOYSA-N 397.389 2.566 0 1 GFAF CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CC2)C(=O)N1CCC1=CCCCC1 61920960 YLOUSNVSQCMUHH-KRWDZBQOSA-N 387.524 2.756 0 3 GFAF COc1ccc([C@@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@H]2O)cc1 27727740 VFPTVCDWPKNPCA-OALUTQOASA-N 390.480 2.937 0 1 GFAF O=C(O)[C@H]1CCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144799005 DKYZGTLLMZKLHJ-CRAIPNDOSA-N 377.318 2.764 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(C)=O 95894951 XKSXBKSIMCJEBG-BHDDXSALSA-N 395.503 2.738 0 1 GFAF C[C@@]12C[C@H]3Cc4nc5cc(Cl)ccc5c(N)c4[C@H](C1)[C@H]3N2S(C)(=O)=O 261101109 GIBJSDQKBFLJLP-MMLQSBIBSA-N 377.897 2.923 0 1 GFAF COC(=O)c1ccc2c(c1)n(O)c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2=O 377845647 FDHLPAISMUACSQ-UHFFFAOYSA-N 399.326 2.891 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587834620 LRGUJQUHBJCISP-MOCULFSLSA-N 386.261 2.917 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 586936318 LNAAYEVTAAEKTL-NSHDSACASA-N 397.913 2.731 0 1 GFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(F)cnc(Br)c2[nH]1 586962068 NZOGKRUWZCJPJO-SCSAIBSYSA-N 385.222 2.791 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c1 587176167 GIFNVOMSJWABTM-UHFFFAOYSA-N 385.424 2.750 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(O)c(C(N)=O)cc31)CC2=O 587471904 WUVAULWMFRYMOS-NRFANRHFSA-N 382.416 2.741 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587835492 PDURMGREASPCDO-SVKFGRERSA-N 386.261 2.917 0 1 GFAF CC1=C[C@@]2(N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)C(C(=O)O)=C(C)O1 962641878 QKMVPZLSLZTUPY-DYVFJYSZSA-N 399.321 2.672 0 1 GFAF COc1ccccc1-n1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cn1 963509575 OGNKTERJPXGXSF-MGPUTAFESA-N 379.416 2.583 0 1 GFAF O=C1NCN(c2ccccc2)C12CCN(Cc1ccc3nsnc3c1)CC2 13864322 QHTFQZNDPJWDIE-UHFFFAOYSA-N 379.489 2.620 0 1 GFAF O=C1[C@H]2C[C@@H](CN2C(=O)c2ccno2)Oc2ccccc2N1Cc1ccccc1 2356299809 OMTZATYCLVVHCT-FUHWJXTLSA-N 389.411 2.884 0 1 GFAF O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4205707 XSPGLZYRJJSRHE-PKOBYXMFSA-N 388.851 2.557 0 1 GFAF COc1ccc([C@@H](C)NC(=O)[C@@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100795799 QXDNINQOTQLSMY-RQURYBOKSA-N 380.444 2.901 0 1 GFAF Brc1ccc2oc(N3CCNC[C@H]3COc3cccnc3)nc2c1 114579596 AFMHUSVESUCSCF-ZDUSSCGKSA-N 389.253 2.843 0 1 GFAF CC1(C)CCc2c(ccc3c2O[C@H]2COc4cc5c(cc4[C@]2(O)C3=O)OCO5)O1 2356551543 JAENCNMEYVVXFZ-PGRDOPGGSA-N 396.395 2.743 0 1 GFAF C[C@@H]1C(=CC(=O)N(C)CCO)CC[C@@H]2[C@@H]1C(=O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@@]12C 2356618236 KDNBPNSKQKVOSU-UCHGGJNNSA-N 391.552 2.802 0 1 GFAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@H](C[C@](C)(O)C(=O)CC[C@]4(C)OC[C@@H]2C)[C@@H]31 40875104 XZPFJFYBJFLLCW-LSRGZNPUSA-N 394.508 2.503 0 1 GFAF CCOc1ccc2cc(-c3nn(C4CCOCC4)c(N)c3C(N)=O)cnc2c1 221711822 VTPYDZCVVYWSRL-UHFFFAOYSA-N 381.436 2.530 0 1 GFAF C[C@H]1C[C@H]2O[C@H](CO)C[C@H]2O[C@]12CC[C@@]1(CC=C[C@H](/C=C/CCC(=O)O)O1)O2 40763328 NRPAJSHSQQDCGG-WPKPSTKJSA-N 394.464 2.530 0 1 GFAF Cc1nc2cnc(Nc3ccnc(N4CC[C@H](O)[C@H](F)C4)n3)cc2n1C(C)C 222782127 ZNCRTOWCSZYNSA-CJNGLKHVSA-N 385.447 2.763 0 1 GFAF C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1 147065175 ZVNGTCORBWGENG-GFCCVEGCSA-N 388.468 2.635 0 1 GFAF O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cocn1 95894788 LADYXEYYHNMFGT-HKBOAZHASA-N 393.418 2.803 0 1 GFAF c1coc(CN[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@@H]23)c1 25431846 QIZBEUZCJGFVES-MXSMSXNCSA-N 384.461 2.535 0 1 GFAF biogenic C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(Cl)c2)CC1 618020212 LMLBSSUVBQJJAD-UHFFFAOYSA-N 384.807 2.830 0 1 GFAF COc1cc2ncn(Cc3cccnc3Br)c(=O)c2cc1OC 653723660 XUDMKZNKBPHVJO-UHFFFAOYSA-N 376.210 2.620 0 1 GFAF CO[C@@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC1 587952443 QVTLVNYLDFAJMI-NFOMZHRRSA-N 395.525 2.891 0 1 GFAF CCOc1ccccc1[C@](N)(c1nc2c(C(=O)OC)ccnc2[nH]1)C(F)(F)F 587093874 YYQYBIAOZZFJOP-KRWDZBQOSA-N 394.353 2.908 0 1 GFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(OC(C)C)cc2[nH]1 586930283 OZTUHMHTLXIUNF-UHFFFAOYSA-N 375.450 2.885 0 1 GFAF CC(=O)N1CCC(Oc2cncc(-c3cnc4c(c3)CCCN4C(C)=O)c2)CC1 1772637809 HJHKTUAQXRLQMP-UHFFFAOYSA-N 394.475 2.832 0 1 GFAF CO[C@H]1O[C@H]2[C@H](COC(C)(C)C)C[C@H](n3cnc4c(Cl)ncnc43)[C@H]2O1 5950519 UHUHNLYERYEXBU-SFTUUXBHSA-N 382.848 2.570 0 1 GFAF CN1Cc2cc(OCCCNc3ccccn3)ccc2C[C@@H](CC(=O)O)C1=O 13803538 QEVFARCJUDGBHM-INIZCTEOSA-N 383.448 2.568 0 1 GFAF CC(=O)OC[C@@]1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C[C@@H]3C[C@@]12CC[C@@]3(O)CO 17129192 SSEWIUPYEWEJEH-WTSGAWDXSA-N 380.525 2.657 0 1 GFAF CN=c1nc(Oc2c(F)c(F)c(F)c(F)c2F)[nH]c(=NCc2ccccc2)[nH]1 1857765714 WTKFWHMPMDFVCL-UHFFFAOYSA-N 397.307 2.857 0 1 GFAF CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1 4733532 WANQJNGGFTWHKP-UXHICEINSA-N 397.475 2.926 0 1 GFAF O=C(NCc1nc(-c2ccccn2)no1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 23191935 QDHWFFNXSRTVOE-OAHLLOKOSA-N 397.479 2.709 0 1 GFAF C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 102422863 QYFXCDCMMOGUKW-KQTLUZQSSA-N 392.883 2.554 0 1 GFAF Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 115089469 XCCJJNIKWGXTSP-QGZVFWFLSA-N 380.427 2.806 0 1 GFAF CC[C@@H]1COC(=O)N1c1cc(C(=O)N[C@@H](C)CO)cc(-c2ccc(C)cn2)c1 113542528 FEMOKEUJAFSVCZ-WMLDXEAASA-N 383.448 2.903 0 1 GFAF COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3ccccc3)n[nH]2)CC1 71317828 SNAFYGOZWJDFEK-UHFFFAOYSA-N 398.488 2.596 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CN(C)C(=O)CC)cc1 95894820 ZWWIZDOUHZQQDN-WNRAFBRASA-N 387.524 2.836 0 1 GFAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1C1CC1 148083179 DQILCWPJVRENKI-NGRWLJPCSA-N 391.519 2.859 0 1 GFAF O=C(NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1)c1cccnc1 95894928 BUTOOXDHWZTZNV-BHDDXSALSA-N 379.504 2.831 0 1 GFAF CC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 43528084 YTXZWHMDGDGJQL-NRSPTQNISA-N 393.535 2.832 0 1 GFAF biogenic COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccncc2)n1 35425012 KUBASHNXEYBLBY-KRWDZBQOSA-N 381.436 2.889 0 1 GFAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1)O2 587396823 WJFAAILTVVAZGM-VLIAUNLRSA-N 390.436 2.765 0 1 GFAF O=C(O)C[C@H](O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586887927 GXPFDGIURJLDCG-RXMQYKEDSA-N 383.120 2.602 0 1 GFAF CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587401319 WAATYWVJAZITOO-FQEVSTJZSA-N 377.437 2.680 0 1 GFAF CN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](CCO)C1 587350309 ZEIGMLRXBYRUQN-PDXHDDNESA-N 385.435 2.963 0 1 GFAF O=S(=O)(O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587118238 KQMINXZEUHPGRX-UHFFFAOYSA-N 386.355 2.951 0 1 GFAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cncc(N)c2)c1F 1772651445 OPCXCFQQXLNDGF-ZUZCIYMTSA-N 392.862 2.992 0 1 GFAF CCN(CCc1ccc(Br)cc1)C1CCN(c2nc(N)n[nH]2)CC1 1772644528 HWKLBWJZJVZAFT-UHFFFAOYSA-N 393.333 2.683 0 1 GFAF NS(=O)(=O)c1ccc(OCc2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1 1772587479 SUFXBUUTPREWDQ-UHFFFAOYSA-N 398.366 2.513 0 1 GFAF CC(C)COC(=O)[C@@H]1C[C@H]2C[C@@H](Oc3ccccc3-c3nn[nH]n3)CC[C@H]2CN1 13645808 ZOQOMMJLTPWGSU-DFGXFYAUSA-N 399.495 2.592 0 1 GFAF COc1cccc(CCN=c2[nH]c(N3CCC[C@H]3CO)nc3ccccc23)c1 1857547283 MMJAQUGANDSVQQ-KRWDZBQOSA-N 378.476 2.676 0 1 GFAF COc1ncccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)nc(=N)[nH]1 1857615912 FHIFCTGHOCBSEB-UHFFFAOYSA-N 399.458 2.957 0 1 GFAF O=C(O)[C@H]1CCCC[C@@H]1C(=O)OCCCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5101353 CAOCATZETDLGIH-YHUYYLMFSA-N 398.452 2.635 0 1 GFAF COc1ccc2c(c1OC)[C@H](O)O[C@H]1c3cc4c(cc3CCN(C)[C@@H]21)OCO4 14887248 BTORBKYDJDEQNX-IRFCIJBXSA-N 385.416 2.724 0 1 GFAF biogenic COc1c(O)c(OC)c2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c1O 15271801 QJHDZCMOVKMXEK-UHFFFAOYSA-N 388.328 2.626 0 1 GFAF biogenic,in-vitro O=C(C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1)c1ccccc1 25968437 QDJFUMQNAWRXOP-LJQANCHMSA-N 380.444 2.821 0 1 GFAF Cc1nc(C(=O)N[C@@H](C)C(=O)N[C@@H](CO)CC(C)C)cc2c1[nH]c1ccccc12 38301128 WMJCUWKQHSUXAN-LSDHHAIUSA-N 396.491 2.666 0 1 GFAF biogenic Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C)n1 68198364 LIWXQSMSAZJCQT-LBPRGKRZSA-N 388.497 2.688 0 1 GFAF CN(C)CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069558 JEYCNUDOQVYBTL-MRXNPFEDSA-N 387.505 2.767 0 1 GFAF COc1ccc([C@@H](C)N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 102095059 VTUBHADBCXCYLY-HGLBQAHSSA-N 385.460 2.737 0 1 GFAF COc1ccc2c3c(n(C)c2c1)C(C)(C)c1cc(OC[C@H](O)CO)ccc1C3=O 114800832 ACBYUHJJUUZENI-CYBMUJFWSA-N 395.455 2.789 0 1 GFAF O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CCOc2ccccc21 143644208 ZSVANKMWGWSNOS-MRXNPFEDSA-N 382.420 2.672 0 1 GFAF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 299879183 KIUONUXAPBRWKD-LZLYRXPVSA-N 383.473 2.625 0 1 GFAF COC(=O)C1CN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)C1 587438424 PATNGNGLFAJVDK-UTKZUKDTSA-N 379.412 2.793 0 1 GFAF CC(=O)OCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587579205 CLRWCLWSBUOOHN-WIYYLYMNSA-N 394.383 2.855 0 1 GFAF COC(=O)[C@@H](C)Oc1ccc([C@@H]2NCCc3c(C(=O)O)cccc32)cc1OC 963129983 HTCRWNZTFFZMCX-BLVKFPJESA-N 385.416 2.569 0 1 GFAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230885 QKYOIWJHKNLDNS-XLIONFOSSA-N 393.491 2.846 0 1 GFAF O=C(NC1C[C@H]2COC[C@@H](C1)N2)c1cn(CC(F)(F)F)c2ccc(F)cc12 1772629257 SUMVYWAAEPPXDF-YHWZYXNKSA-N 385.361 2.592 0 1 GFAF COc1ccccc1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@H]1O 2356286911 SHNMGCVIGUUKAP-BURFUSLBSA-N 395.377 2.722 0 1 GFAF CCOc1cc2c(cc1O)CCN1C=c3cc(OCC)c(OCC)cc3=C[C@@H]21 2356840400 MQJNLEMMIFOGBV-IBGZPJMESA-N 381.472 2.720 0 1 GFAF C[C@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C1CCCCC1 61902222 ZMPMNXGSMHWTFJ-GOSISDBHSA-N 398.912 2.716 0 3 GFAF O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21 28114497 HDAMLLQLBUIMGQ-HXUWFJFHSA-N 399.454 2.917 0 1 GFAF COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]21 105425307 DBCVUIBEXPYXAJ-FDVFUFCWSA-N 384.476 2.656 0 1 GFAF COc1ccc([C@@H]2Sc3c(F)cccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1 27744007 MDGHORXBYLKKAZ-MSOLQXFVSA-N 390.480 2.937 0 1 GFAF Cc1ccc(S(=O)(=O)Oc2cc(N)nc(SCC(F)(F)F)n2)cc1 43022464 HUAWJHRTTNHWPB-UHFFFAOYSA-N 379.385 2.789 0 1 GFAF COc1ccccc1NCC(=O)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49089056 NYYMWHWSBJBYID-UHFFFAOYSA-N 393.491 2.718 0 1 GFAF CC(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 49784709 TUWONPCQQPXZAL-BDTNDASRSA-N 383.536 2.834 0 1 GFAF COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)cc2)cs1 82195431 IZIHEUOTSDNMTR-KRWDZBQOSA-N 375.494 2.940 0 1 GFAF CC(=O)NCCn1c(-c2ccoc2)nc2c(NCc3cccc(F)c3)ncnc21 82181504 WGMACPNDPTYCIC-UHFFFAOYSA-N 394.410 2.974 0 1 GFAF C/C1=C\[C@@H](O)C(C)(C)CCC[C@@](C)(O)[C@H](O)C[C@@H]1OC(=O)c1ccc(O)cc1 89464641 PTXVSFQAEBBMCK-MQJOUOQNSA-N 392.492 2.937 0 1 GFAF COC(=O)/C(=C\c1ccc2c(c1)OCO2)CNCCc1ccc(OC)c(OC)c1 98082750 CKBIKGVHXPBCEG-YVLHZVERSA-N 399.443 2.821 0 1 GFAF CC(=O)O[C@H]1[C@@H]2[C@H]3OCC4=C3[C@@](C)(CC[C@@H]4O)CC[C@]2(C)[C@@H](C(C)C)[C@H]1O 238788109 RQLGNNVVLDWWNK-NUAQGFLESA-N 378.509 2.838 0 1 GFAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F 95869263 FPTBRZQVVOHAIN-DLBZAZTESA-N 382.426 2.780 0 1 GFAF CC[C@H]1CN(C(=O)c2ccno2)CC[C@@H]1CC(=O)NCc1ccc2c(c1)OCO2 25430168 SAYWOXRQVRVECT-JKSUJKDBSA-N 399.447 2.598 0 1 GFAF biogenic NC(=O)c1ncc(N[C@H]2CC[C@H](N)CC2)c2nc(-c3ccc(Cl)cc3)cn12 261090427 DJXPMLBJIXXVFI-HDJSIYSDSA-N 384.871 2.830 0 1 GFAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Cl)ncnc4[nH]3)n2)cc1 587112595 KKKCRRBCWWOCMU-UHFFFAOYSA-N 380.721 2.727 0 1 GFAF COc1cc2c3c(c1)O[C@](CSc1n[nH]c(=N)s1)(C1CC1)[C@@H](C2)C3=O 587453495 QXKGNAUFARGQAU-APPDUMDISA-N 375.475 2.648 0 1 GFAF COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OCC(=O)NC(C)C 587227103 YYHFDJKDKBRUEF-UHFFFAOYSA-N 383.404 2.840 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H](C2)C3=O 587435170 DGNZXONCKPVAJF-DQCMRGAYSA-N 387.432 2.985 0 1 GFAF CCCOc1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2cc1Br 587970437 HMCDSTRVOKHMNV-RYUDHWBXSA-N 383.198 2.613 0 1 GFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 1772649862 HCQVQBXXPBUIQW-ZDUSSCGKSA-N 392.198 2.831 0 1 GFAF O=C(c1cccc(Cl)c1)N1CCC(=O)N([C@H](CO)Cc2ccccc2)CC1 13111160 FTQQEQSHKIZFQO-IBGZPJMESA-N 386.879 2.618 0 3 GFAF Cc1cc(O)cc(C)c1C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N(C)C 13765468 MDTMCHLPEWCDEO-RTWAWAEBSA-N 396.487 2.520 0 1 GFAF N[C@H]1CN(CCc2cccc(C(=O)O)c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F 14958814 QXKPQSPVHRYOGI-KDOFPFPSSA-N 392.377 2.688 0 1 GFAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)CC5CCNCC5)cc4)c12)CCC3 1857557465 MCWBQHSSWGKDPX-UHFFFAOYSA-N 390.491 2.650 0 1 GFAF COc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc2c1O[C@H](C(C)(C)O)C2 14658521 JFOWWAZXLBKLIO-KRWDZBQOSA-N 384.384 2.954 0 1 GFAF biogenic CC(=O)N1CCC(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)O)C[C@H]2C(C)C)CC1 30882242 OMEARBJVDKNOJE-FHWLQOOXSA-N 378.513 2.690 0 1 GFAF biogenic C/C=C1/CN(C(C)=O)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 33985667 WNNXIBDIKZAZSX-BZGHKCBGSA-N 380.444 2.879 0 1 GFAF CCC(=O)N1[C@H](CN(C)C(C)=O)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO 95895447 ZJHAFCAAIJLNFJ-FUPPJEDESA-N 380.488 2.897 0 1 GFAF CC[C@H]1C[C@@H]2CN3CC[C@]4(O)C(=Nc5ccc(OC)cc54)[C@](C(=O)OC)(C2)[C@H]13 101641677 AVRFPRAAVSCSSZ-AIYLNWPXSA-N 384.476 2.652 0 1 GFAF Cc1cc(N)nc(C[C@H]2CNC[C@@H]2OCCNC[C@@H](F)c2cccc(F)c2)c1 169326817 NOLWAWWUERSXHH-DBVUQKKJSA-N 390.478 2.559 0 1 GFAF CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)c1C 253656811 YUCQEDZULBKWMG-YESZJQIVSA-N 389.496 2.623 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)o1 586931143 MJXFRYXDAVAHKQ-UHFFFAOYSA-N 388.218 2.975 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(Br)nc3[nH]2)CC1 586952629 KARQZBHXGQXJJO-UHFFFAOYSA-N 387.303 2.719 0 1 GFAF COc1cncc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587114427 SUXQYHSVJKBUJO-UHFFFAOYSA-N 375.314 2.687 0 1 GFAF CN(C)CCNc1cc2c(cn1)cc(NC(=O)c1ccc(Cl)cc1)c(=O)n2C 653897426 NRGZVDMUUYMQTR-UHFFFAOYSA-N 399.882 2.813 0 1 GFAF CC(=O)[C@@H](N=O)[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962916665 CZTXLOYYDMVMHE-NLWGTHIKSA-N 384.388 2.723 0 1 GFAF COc1ccc2c(c1)cc([C@H]1c3c(cnn3C)CCN1C)c(=O)n2CC(C)C 963955275 OXKVBGRGNNRIOG-NRFANRHFSA-N 380.492 2.977 0 1 GFAF Cc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)cnn1-c1nc(O)c2c(n1)CCC2 1857598525 RMTFKVQQWWDVDP-NSHDSACASA-N 395.385 2.580 0 1 GFAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@H]1c1ccccc1Cl 1857603350 QJJDIUNMMGRAIA-KRWDZBQOSA-N 393.852 2.620 0 1 GFAF N[C@@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=NC(=O)c4ccccc4)c3c2)C1 1857636286 IGNWRSHPCXAJBO-LSDHHAIUSA-N 377.448 2.693 0 1 GFAF O=C1N[C@@H](O)c2c1c1c(c3c2=c2cccc(Cl)c2=N3)N=c2c(Cl)cccc2=1 2356311756 NZBXKTAJQOHRPE-IBGZPJMESA-N 394.217 2.831 0 1 GFAF COc1cc(O)c2c(c1OC)C=CCCC(=O)[C@H](O)CCC[C@@H](C)OC2=O 2356581734 IXWZTCKQQIAFGC-IUODEOHRSA-N 378.421 2.862 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(C=C[C@H](O)OC)cc3[C@H]2CO)ccc1O 2356681616 ACYTYNNPYAXFFE-YSGRDPCXSA-N 388.416 2.597 0 1 GFAF COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cscn3)C2)CC1 61969849 JWAMHIZLWHNYJS-INIZCTEOSA-N 386.521 2.579 0 3 GFAF COc1ccc(C2=NN(CCC(=O)NCCc3ccccc3)C(=O)CC2)cc1 4712723 IEGLPYMFQSTKFE-UHFFFAOYSA-N 379.460 2.771 0 1 GFAF NS(=O)(=O)c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2c2ccco2)cc1 103183489 DQAGVDGCJHKYNM-SFHVURJKSA-N 383.429 2.988 0 1 GFAF O=C(Nc1n[nH]cc1Br)N1CCN(CCc2ccc(F)cc2)CC1 58581149 UGJXHJIPJBYGQQ-UHFFFAOYSA-N 396.264 2.704 0 1 GFAF COc1ccccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)ncn1 117323687 UEDADQKVDBOYTD-UHFFFAOYSA-N 398.444 2.776 0 1 GFAF O=C(O)CN1C(=O)[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21 28818244 CCGBIWYBXDWOOH-INIZCTEOSA-N 397.818 2.594 0 1 GFAF CO[C@]12CC(C)=CCC[C@H](C)[C@H]3CC[C@@](C)(O3)[C@H](O)[C@H](O)C1=C(C)C(=O)O2 2356455515 XNCQSLQRDRRFCP-BDFWMWIHSA-N 380.481 2.628 0 1 GFAF CC=C1CN2CC[C@@]34c5ccccc5N[C@H]3[C@@]2(C)C[C@@]1(C)[C@@]4(CO)C(=O)OC 2356507314 RKEYBMSLSYRTDT-UTCUMILBSA-N 382.504 2.705 0 1 GFAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(C(=O)Cc3ccccc3)CCN21 2356524120 QVMNPHGADVXUMJ-OAQYLSRUSA-N 391.515 2.677 0 1 GFAF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCn1cncn1 72108746 MSGDNVSMXUBEQH-UHFFFAOYSA-N 385.221 2.880 0 1 GFAF COc1cc(OC)cc([C@@]2(C)C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 42922599 JQQNCCUXTOPZMV-OAQYLSRUSA-N 381.384 2.975 0 1 GFAF COCc1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)cn1 223538631 SXUSZQRLPSROOS-UHFFFAOYSA-N 388.512 2.504 0 1 GFAF CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1 143476155 ALCGUJMVZTWRKB-IBGZPJMESA-N 379.460 2.965 0 1 GFAF CC(C)NC(=O)N[C@H]1CC[C@H](Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1 473113282 FJVVBMGXZMJPOI-WKILWMFISA-N 386.500 2.803 0 1 GFAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c[nH]ccc4=N)[nH]c3c2)cc1 587249926 SQXMNVLVKMOABM-UHFFFAOYSA-N 395.444 2.847 0 1 GFAF Oc1nc(O)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2n1 587092728 ZQIQGDKQQUEAAU-UHFFFAOYSA-N 395.219 2.786 0 1 GFAF C[C@]12CCC(=O)C[C@@]1(O)CC[C@@]21N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962763457 KPOIXOUMAQUMLP-BVBHFADKSA-N 381.394 2.812 0 1 GFAF C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC4CC4)ncnc32)[C@H](O)[C@@H]1O 13676863 NBMVRZBBLDNYQG-CNZTYRRKSA-N 380.448 2.559 0 1 GFAF CCCc1ccc(OCC(=O)N(CC(=O)NCc2cccnc2)C(C)C)cc1 1857563292 IASIZAZXOKPPTH-UHFFFAOYSA-N 383.492 2.966 0 1 GFAF Cc1cccc(-c2cn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)nn2)c1 1857620200 GCGUNSPVQBNHSB-HXUWFJFHSA-N 396.401 2.711 0 1 GFAF O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2)N1CCOCC1 3042083 IQLCWBJBXDAOFY-UHFFFAOYSA-N 386.448 2.937 0 3 GFAF Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1 6576690 QBQHUVDMGOWVFY-GOFCXKROSA-N 375.428 2.679 0 1 GFAF NC(=O)c1cc(N[C@H]2CCNC2)nc(-c2ccnc(NC3CCCCC3)c2)c1 58603881 WXGCJNLWHYWDFU-KRWDZBQOSA-N 380.496 2.761 0 1 GFAF CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2C[C@@H]1CO)c1ccccc1 26960609 ODMKKGACLNICLL-LJQANCHMSA-N 376.460 2.907 0 1 GFAF CCC(=O)[C@@H]1C[C@@]2(CO)[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)OC)C[C@]52CN(C)[C@@H]13 2356819201 FAAGNWHRMPLKSR-BVSVRJRYSA-N 387.520 2.574 0 1 GFAF CCCO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@@H]6[C@H]53 85531660 HSSPPKUPUVYOBZ-KSTKQVBDSA-N 392.499 2.847 0 1 GFAF biogenic,in-vitro C[C@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95660942 FKVAGPIVUGMOCL-SUMWQHHRSA-N 377.485 2.534 0 1 GFAF COC[C@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CC[C@@H](C)O2 96019143 MBUAWLUNGDFCST-GDBMZVCRSA-N 380.510 2.626 0 3 GFAF COC(=O)[C@@H]1N2CCC(CC2)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587790640 IYTBLOITBGDSLY-BMIZZYGASA-N 397.288 2.585 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 587829401 WNROCAIKOWJULP-HYFLHGGLSA-N 386.217 2.513 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)CN1CCOCC1 587869334 GQRPPWOIIKWAKP-GFCCVEGCSA-N 398.385 2.581 0 1 GFAF Nc1c(O)cccc1[C@@]1(C[C@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587507922 DGRNNGJROLTAPJ-KSFYIVLOSA-N 396.443 2.516 0 1 GFAF CCOC(=O)/C(=C\N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571828 MNNGLVUXYTYMST-ZJRUHXGUSA-N 383.400 2.731 0 1 GFAF Cc1ccn(CCc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)n1 587923915 RHIJMUXYLOUCSK-UHFFFAOYSA-N 376.507 2.954 0 1 GFAF Oc1c([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4O)OCO5)OC[C@H]23)ccc2c1OCO2 14435401 CNUBEERPZWNIEK-YDOWWZDFSA-N 386.356 2.630 0 1 GFAF CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C1CC1 169705039 VUNSSSBXJWKPMA-UHFFFAOYSA-N 383.452 2.620 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@@H]2C(=O)O)ccc1O 5538874 JTHPLBUVRLOJBB-KCILRPRFSA-N 386.356 2.809 0 1 GFAF in-vitro CC1(C)C=Cc2c(cc(O)c3c2O[C@@H]2C(=O)[C@@]4(C[C@H]2C3=O)OC(=O)CC4(C)C)O1 1857632429 XTCMLRXJRULZJN-OTQLMPSESA-N 398.411 2.821 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCC[C@H]1C 4148861 WBFXFVHIMIAONG-HZSPNIEDSA-N 390.596 2.843 0 1 GFAF O=C(O)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1 6251356 SORNSPZDFYQECA-OXJNMPFZSA-N 384.384 2.923 0 3 GFAF O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1cc(O)cc(O)c1)c1ccccc1 101644927 NVMXPYIQUOIQFV-SQBLYHGDSA-N 383.444 2.984 0 1 GFAF COc1ccc(/C=C/C(=O)OCc2cc(=O)oc3cc(OC)c(OC)cc23)cn1 26386760 DTYYOBXTUCRCNF-FNORWQNLSA-N 397.383 2.970 0 1 GFAF O=C1N[C@H](O)c2c1c1c(c3c2=c2cc(Cl)ccc2=N3)N=c2ccc(Cl)cc2=1 2356856559 SBDPBHKIEZQBPX-LJQANCHMSA-N 394.217 2.831 0 1 GFAF COc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@@H]3Cc1ccccc1 61921450 PGQVEDGRTXLTBI-LJQANCHMSA-N 398.422 2.817 0 3 GFAF CCOc1cc(CCNc2nc(N3CCN(CC)CC3)ncc2C)ccc1OC 82202874 YJHSNSGXMMFEPR-UHFFFAOYSA-N 399.539 2.989 0 1 GFAF NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 84669524 OHYPSOMCJGAUFK-UHFFFAOYSA-N 397.281 2.608 0 1 GFAF O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c21 40421714 OCGVCAPERFIPEC-UHFFFAOYSA-N 377.444 2.789 0 1 GFAF Cc1ncc(C)c(C(=O)N2CCC([C@H](N)Cc3cc(F)c(F)cc3F)CC2)n1 40937083 AOIBZBXINYLQJL-GOSISDBHSA-N 392.425 2.933 0 1 GFAF CNC(=O)[C@@](C)(CC1CC1)NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1 146504872 YXONYLIADHIZCX-GOSISDBHSA-N 399.413 2.935 0 1 GFAF O=C(CSC(=S)N[C@H]1CCOC1=O)Nc1cccc(C(F)(F)F)c1 96929095 YPWSCHFDQSIDFG-JTQLQIEISA-N 378.397 2.567 0 1 GFAF O=C(CC[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)NCc1nc(-c2ccccc2)cs1 618015616 OZPPKJVBZGWMDO-RYRKJORJSA-N 398.532 2.811 0 1 GFAF Cc1ccc2c3c(c4c(nc13)CC[C@@]1(C4)NC(=O)NC1=O)-c1ccccc1C2=O 587096213 HXSVQXVMVPCAHI-QHCPKHFHSA-N 383.407 2.822 0 1 GFAF Oc1nc(O)c2ccc(-c3ccc(O)c(CSc4ncccn4)c3)nc2n1 587562545 FEISHNGUEMRCHR-UHFFFAOYSA-N 379.401 2.891 0 1 GFAF CC[C@@]1(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC(=O)c2ccccc2C1 587958977 AXZVMVXSZJHCTQ-FQEVSTJZSA-N 383.473 2.978 0 1 GFAF COc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cn1 586934598 CCHQHULXSWAWPQ-CYBMUJFWSA-N 392.506 2.739 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@](Cn1cncn1)(c1ccc(Cl)cc1)NCC2 962926450 OSQRBCLWOKKSQB-NRFANRHFSA-N 395.894 2.723 0 1 GFAF COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(C)c12 15955666 OEPKVZWLXDZGPW-CQSZACIVSA-N 375.421 2.576 0 1 GFAF biogenic CN1C(=O)[C@@H](C(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2S1(=O)=O 150206075 QWHBHJFXNTYZMY-CQSZACIVSA-N 399.255 2.876 0 1 GFAF COCCOc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccn1 169709781 USKSDYXGGBCDIJ-HRAATJIYSA-N 399.491 2.962 0 1 GFAF COC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 13780534 YQHAEJPHUHNFSO-FUHWJXTLSA-N 386.835 2.696 0 1 GFAF COc1ccc2sc(Cn3nc(CC(=O)O)c4ccccc4c3=O)nc2c1 13860748 DLZBAQHHNKCANC-UHFFFAOYSA-N 381.413 2.690 0 1 GFAF O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)c1c[nH]c2ccc(Cl)cc12 27556597 LDONMJLBYXFQJN-INIZCTEOSA-N 386.791 2.522 0 1 GFAF NS(=O)(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 28826387 IHBJOGHZHLNOBK-UHFFFAOYSA-N 383.473 2.854 0 1 GFAF in-vitro Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(N4CCN(C)CC4)ccc23)n[nH]1 34660407 VLOGKAVNBJBYON-UHFFFAOYSA-N 381.484 2.504 0 1 GFAF in-vitro C[C@H](CN1CCN(c2cccc(Cl)c2)[C@H](C)C1)Cn1nc2ccccn2c1=O 40477036 LOEADZDEGAOQMK-IAGOWNOFSA-N 399.926 2.996 0 1 GFAF CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O 95895385 HLWYRRZQOIEKTJ-YPAWHYETSA-N 384.451 2.646 0 1 GFAF C[C@H]([C@@H](O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118925220 ASYNKIUHLPMXKX-XMXBQORVSA-N 380.569 2.966 0 1 GFAF C#CCCC(=O)N1CC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166433785 ATTSWEYECCEZHI-UHFFFAOYSA-N 390.443 2.632 0 1 GFAF CN1C(=O)[C@@H]2C[C@@H]3[C@@H]4Nc5ccc(Cl)cc5C(C)(C)[C@@H]4CN3[C@@H]2N(C)C1=O 169336409 LEEFVVZQTDQNSU-CMFIYONCSA-N 388.899 2.582 0 1 GFAF O=C(NC[C@@H](c1cncnc1)N1CCOCC1)c1cccc(Cl)c1Cl 207596288 WAVNFGJAWVSJCL-HNNXBMFYSA-N 381.263 2.587 0 1 GFAF CC(=O)N1N=C(c2cccs2)O[C@@H]1C(=O)NCCc1cccc(Cl)c1 299852270 PQCPWNNIDMATAE-QGZVFWFLSA-N 377.853 2.627 0 1 GFAF COC(=O)c1cc(Br)c2[nH]c(-c3nnn(C)c3C(F)F)nc2c1 587128284 IQRYRRIBUWQDIA-UHFFFAOYSA-N 386.156 2.845 0 1 GFAF Cc1ccc(C)c2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 587186478 XYNWQDMOWZQOCH-UHFFFAOYSA-N 396.188 2.732 0 1 GFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587193736 FREKPUTYSORYHF-HNNXBMFYSA-N 389.500 2.782 0 1 GFAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587198895 VGASCWFXJAOFAM-UHFFFAOYSA-N 393.838 2.896 0 1 GFAF COC(=O)[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351274 TYCIGFLAQFYGPE-CDXJDZJCSA-N 385.391 2.554 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](c1nc3ccccc3[nH]1)S(C)(=O)=O)O2 587410216 WCRDKNMCOBBOQS-WMZOPIPTSA-N 385.445 2.573 0 1 GFAF COc1cc2c3c(c1)O[C@]1([C@@H]4COC[C@H]1CN(Cc1ccccc1)C4)[C@@H](C2)C3=O 587445735 XTOQKGCWBRTYKJ-KBVWPGPTSA-N 391.467 2.960 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cnn(C)c2)N1 587765785 UEGMHCGZZAGFCW-BTDLBPIBSA-N 396.260 2.964 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1CC[C@H](O)CC1 1772580204 LIWYTDUPDUJNJU-HDJSIYSDSA-N 391.475 2.935 0 1 GFAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C2(C(N)=O)CC2)cc1 11843659 WZONZCIKEIFKDZ-QGZVFWFLSA-N 380.492 2.929 0 3 GFAF O=C(NCc1cnc2ccccn12)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12303132 VBZMPSVZDCNXLY-MRXNPFEDSA-N 380.423 2.528 0 3 GFAF COCC=Cc1ccc(O)c(Oc2ccc([C@H](O)[C@@H](O)COC)cc2O)c1 2356400485 AMPDGYCWLBGPQE-PXNSSMCTSA-N 376.405 2.590 0 1 GFAF CC[C@@]1(N2C(=O)c3ccccc3C2=O)C(=O)N(c2ccccc2)C(=O)N=C1O 21986448 MLZNVUPGZYJLKW-FQEVSTJZSA-N 377.356 2.555 0 1 GFAF CC[C@@H]1CCN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2[C@H]1C(=COC)C(=O)OC 2356678454 HEPXCIJEQGEUMT-RCAWKPMRSA-N 384.476 2.700 0 1 GFAF COc1ccc(-c2cc3n(n2)CC(=O)N(CCc2ccc(F)cc2)C3=O)cc1 73222597 GEARIROGVSSVMG-UHFFFAOYSA-N 379.391 2.923 0 1 GFAF CC(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(OC(F)(F)F)cc2)C(=O)O1 40860288 ABUXMZSTVMHGJQ-FUIJVIPGSA-N 388.338 2.846 0 1 GFAF O=C(NCc1ccccc1)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 199248827 LKMLUCBPQWHOQG-IBGZPJMESA-N 377.444 2.709 0 3 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(C)C(=O)c1ccccc1F 95895789 JELGKZCIOQUBDC-SFHLNBCPSA-N 384.451 2.663 0 1 GFAF COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)CC23CCCCC3)cc1F 96309603 YMBKDMYCFWSESH-CQSZACIVSA-N 384.473 2.615 0 1 GFAF Cc1ccc(-c2nn(-c3nc4ccc(S(N)(=O)=O)cc4s3)cc2C=O)cc1 299818554 AZCHOUOIUUAIIG-UHFFFAOYSA-N 398.469 2.917 0 1 GFAF CC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(N3CCSCC3)cc2n1O 653717455 JPLMFCJGGFOUHK-UHFFFAOYSA-N 392.354 2.707 0 1 GFAF CC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1 653760809 DDBNUUGAISIDIP-UHFFFAOYSA-N 377.408 2.781 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C(=O)OC)ccc21 587485684 QHIPPRDBVNIDMJ-OAQYLSRUSA-N 381.384 2.944 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C(O)O 587570076 KAEJFOANUOLKHY-UTKZUKDTSA-N 382.343 2.699 0 1 GFAF O=C(O)CCN(CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)Cc1ccccc1 587193852 TUIQMNWTIFJRHI-UHFFFAOYSA-N 385.395 2.920 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(CO)cc2[nH]1 586936396 MEXNXIAHRLQDGE-MRXNPFEDSA-N 391.518 2.828 0 1 GFAF Cc1cc2c(cc1O)[C@@H](c1c(N(C)C)nc3ccccc3c1O)N[C@H](C(=O)O)C2 963491426 NQBFLWYUVPSSDA-LPHOPBHVSA-N 393.443 2.709 0 1 GFAF O[C@@H]1c2cc(F)c(F)cc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1 13471821 GQMJLAOYTCLHED-UYAOXDASSA-N 388.414 2.516 0 1 GFAF N=C1O[C@@H](CN2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1 13885605 DLNAGIRFNFNTOI-IBGZPJMESA-N 395.532 2.841 0 1 GFAF CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCCC(C)C)C2 203472334 PTNBWBCMTYKCEK-IIBYNOLFSA-N 376.497 2.779 0 3 GFAF c1ccc(CCN2CCN(CCN[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 1857596308 LDHQGSKKOPJLBF-RUZDIDTESA-N 392.591 2.711 0 1 GFAF CC(C)c1cn2cccc(C(=O)NC[C@H]3[C@@H]4CN(CC5CCOCC5)C[C@H]34)c2n1 1857761959 ATJLMQWUQXSGDV-OWZKRDHZSA-N 396.535 2.792 0 1 GFAF CCOC(=O)CCC(=O)Nc1cc(Nc2cccc(C(=O)OCC)c2)ncn1 1857769938 DHTOSOAIOICVKF-UHFFFAOYSA-N 386.408 2.679 0 1 GFAF C1=CC(c2noc([C@H]3CCCN3Cc3ccncc3)n2)=C[C](N2CCCC2)N1 2356309325 XAUNRJBQWWMRTA-GOSISDBHSA-N 377.472 2.887 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@H](O[C@H](C)CCCCC=CC(=O)O)O[C@H]1C 2356345325 NKVDNSIHZYHTDR-YNIGFRRXSA-N 384.469 2.967 0 1 GFAF O=C(Nc1sccc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)OCc1ccccc1 3582052 NUILNSUHYMGBRD-UHFFFAOYSA-N 387.373 2.651 0 1 GFAF COCO[C@H]1C=C2C(=O)OC[C@]23C=CC2=C(C(C)=C3C1)[C@H](c1ccoc1)OC2=O 103232791 ODSGLXWYRFLCNJ-LNHNDHHWSA-N 396.395 2.923 0 1 GFAF COc1ccc(-n2c(SCC(N)=O)nc3c4ccccc4nc-3c2O)cc1 100086837 IOGPFQFXZLXWGF-UHFFFAOYSA-N 380.429 2.817 0 1 GFAF O=C(O)[C@@H]1[C@H](O)CCN1CCC(=O)N1c2ccccc2C=Cc2ccccc21 103212085 QVUZIKZUZGAHPR-CTNGQTDRSA-N 378.428 2.745 0 1 GFAF C[C@@H](S[C@@H](CCc1ccccc1)C(=O)O)C(=O)NC1(C(=O)O)CCCC1 28755666 IRFLEJXVMMQAGR-HIFRSBDPSA-N 379.478 2.708 0 1 GFAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@@H]1O 2356308894 HZSDEDOYFCTAET-RTQAYRQUSA-N 390.568 2.963 0 1 GFAF O=C(Nc1cccc(NCCCO)c1N1CCCCC1)c1cnn2cccnc12 113652828 VDWXBGMXIZZGIP-UHFFFAOYSA-N 394.479 2.766 0 1 GFAF FC(F)(F)Oc1ccc(Nc2cncc(NCCN3CCOCC3)n2)cc1 64549516 MYPZAIOFOUSETC-UHFFFAOYSA-N 383.374 2.863 0 1 GFAF COC(=O)C=Cc1cc(OC)c2c(c1)[C@@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 2356563448 DPDJZJNYBSGDHT-FOIQADDNSA-N 386.400 2.805 0 1 GFAF COc1cc2c(c(O)c1CC=C(C)C[C@H](C=C(C)C(=O)O)OC)COC2=O 2356600278 GOGQLLWTHMPWQZ-CYBMUJFWSA-N 376.405 2.996 0 1 GFAF COC(=O)[C@@]12CCC[C@@]3([C@H](O)OC1)[C@@H]1[C@H](O)c4occc4[C@H](C)[C@@H]1CC[C@H]32 2356711987 IUERDUXXUQLZOY-OBVUVVOVSA-N 376.449 2.751 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646764 QQJNIQAYUUHBGC-GJZGRUSLSA-N 388.416 2.698 0 1 GFAF biogenic CCCCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 82081349 JWBVBVRLUUKFTO-HNNXBMFYSA-N 399.447 2.839 0 1 GFAF Cc1cc(C(=O)N2CC(CO)C2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144814764 ICCMSZYYPASJQH-LJQANCHMSA-N 377.362 2.838 0 1 GFAF NC1=N[C@]2(CO1)c1cc(Br)ccc1OC1(CCCC1)C21COC1 149293140 DTJVAANWMRFEEX-QGZVFWFLSA-N 379.254 2.711 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C)C1 95868501 GXXXFTPDUXBDLZ-FQEVSTJZSA-N 377.488 2.909 0 1 GFAF Fc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCc5ccco5)CO[C@H]34)n2)c1 36369481 MSIFKHQSZKZPQE-MTQWCTHYSA-N 396.422 2.612 0 1 GFAF biogenic NCCOc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2 148031170 MIDFQHJVVKHSOY-UHFFFAOYSA-N 378.837 2.688 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587017172 SKGFSCRKFJRRJE-LBPRGKRZSA-N 378.479 2.788 0 1 GFAF CN(CCO)c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587193333 ZBBGXWIJACWWHV-UHFFFAOYSA-N 390.447 2.718 0 1 GFAF COC(=O)Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nn1 586987780 FVSLUJIMDAIQPJ-UHFFFAOYSA-N 386.367 2.583 0 1 GFAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586972001 CVPVLHYGIBQUQZ-GOSISDBHSA-N 393.476 2.649 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2S(C)(=O)=O)N1 587837990 AQNOYNVOSXJVMK-BJOHPYRUSA-N 387.274 2.821 0 1 GFAF CN1CCN(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587349176 YEKXLYYFEGGGHT-UNMCSNQZSA-N 384.451 2.896 0 1 GFAF COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2cccc(OC)c2)cc1)C(C)C 13534677 LUBSCKJLTZOPRJ-SFHVURJKSA-N 377.462 2.838 0 1 GFAF Cc1cc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)cnc1N1CCOCC1 204408535 WSKDMRAZBVILPE-FQEVSTJZSA-N 388.487 2.534 0 1 GFAF CC(=O)N1CCN(c2ncnc3oc(-c4ccccc4C(F)(F)F)nc23)CC1 1857748676 QFLANTYJBLDOTE-UHFFFAOYSA-N 391.353 2.972 0 1 GFAF O=S1(=O)[C@@H](F)CCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 224010971 WSUPOQYBRDIAEB-FZKQIMNGSA-N 398.406 2.765 0 1 GFAF CC(C)[C@H](C(=O)NC1CC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8235906 UWZYFRAAONHVCD-VGSWGCGISA-N 394.475 2.507 0 1 GFAF biogenic CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O 13554888 HXBXPNDMSXEMNX-UHFFFAOYSA-N 395.507 2.633 0 1 GFAF COC(=O)c1ccc(CNc2ccc3c(c2)c(=O)n(C)c(=O)n3CC(C)C)cc1 13603213 LNQUDJHFJRPYIB-UHFFFAOYSA-N 395.459 2.755 0 1 GFAF COc1cc(OC)cc(C(=O)N[C@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)c1 28461266 XLIPASJDQJMNCS-KRWDZBQOSA-N 398.459 2.827 0 1 GFAF CC(=O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 28711454 DRCFWCXASYWELH-HNNXBMFYSA-N 381.367 2.707 0 1 GFAF CC(C)Nc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4CCCN4)cc3)n2n1 58581706 NPUFGTZUMWRJPQ-KRWDZBQOSA-N 378.480 2.698 0 1 GFAF C[C@@H]1NC(c2ccc(=O)n(C)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 71281292 BDYBUJFDECYUHB-ZSEKCTLFSA-N 380.398 2.741 0 1 GFAF CN1CCC[C@@H]1Cn1nc(Cc2ccc(C(=O)O)cc2)c2ccccc2c1=O 71315844 AIQKTJZHRRQKTE-QGZVFWFLSA-N 377.444 2.780 0 1 GFAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCCc1ccc(O)cc1 82212920 VSNKAJOKPPSIAR-UHFFFAOYSA-N 390.491 2.867 0 1 GFAF CCOCOC[C@H]1CS[C@@H](c2cc(Br)c(O)c(OC)c2)N1 95535218 KZYARPHOOFOWST-HZMBPMFUSA-N 378.288 2.878 0 1 GFAF N[C@H](C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100988838 XXNGRRJMDFPNGD-BBWFWOEESA-N 395.450 2.667 0 1 GFAF CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(OC)cc1)C2 101283311 LDEOEDOMOWZEND-QGTPRVQTSA-N 380.510 2.864 0 1 GFAF COc1ccccc1/C=C1\CNC[C@@H]2[C@@H]1NC(=S)N[C@@H]2c1ccccc1OC 103231010 LWWIMYKKFBLYLV-KVLNNOCGSA-N 395.528 2.894 0 1 GFAF Cc1ccc(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3ccccc32)cc1 114898540 HIMJPFQZTGXGGE-UHFFFAOYSA-N 383.517 2.934 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 586946349 KQSVNLQXKDVWHL-LBPRGKRZSA-N 393.415 2.965 0 1 GFAF COc1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2n1 586955680 RYFCGIJRUKGNBM-UHFFFAOYSA-N 378.841 2.681 0 1 GFAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428464 NDESJICETVDTTM-KXBFYZLASA-N 376.405 2.522 0 1 GFAF O=C(c1ccc(-n2cncn2)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651351 RERASUAVCNDFEJ-UHFFFAOYSA-N 386.198 2.973 0 1 GFAF CN(CC(=O)O)c1ncc([C@H]2c3ccsc3CCN2Cc2cccnc2)cn1 962997352 MAMRZSITQKKINI-IBGZPJMESA-N 395.488 2.602 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OC[C@H]1CCN1Cc1ccccc1)C2 1772578026 VTANVYCMTPJTLR-MJGOQNOKSA-N 395.455 2.877 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1OCCC(C)(C)N 1772580891 QKXQFZLEYYRAFJ-UHFFFAOYSA-N 379.464 2.725 0 1 GFAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccnc(N)c2)c1F 1772584057 HVQJFOQCEFHAKC-IINYFYTJSA-N 392.862 2.992 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN[C@@H]1CCCN(Cc2ccccc2F)C1 1772608604 LZRNHXMMGNXXOA-QGZVFWFLSA-N 381.451 2.676 0 1 GFAF NS(=O)(=O)c1cc(C(=O)Cn2ccnc2-c2ccccc2)ccc1Cl 1857647618 CUNWRSNMYCCCRX-UHFFFAOYSA-N 375.837 2.734 0 1 GFAF COCC=Cc1ccc(O)c(Oc2ccc([C@@H](O)[C@H](O)COC)cc2O)c1 2356400487 AMPDGYCWLBGPQE-YLJYHZDGSA-N 376.405 2.590 0 1 GFAF CC(=O)OC[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](O)(CO)C3 2356647000 XAWLPRCYLCCVFP-ZOAXJRIWSA-N 394.508 2.751 0 1 GFAF CO[C@@H]1OC(=O)[C@H](c2ccc(O)cc2)[C@@H]1Cc1ccc2c(c1)C[C@@H](C(C)(C)O)O2 2356713262 CQGQUEUOOGWKAW-LLMJNHHCSA-N 398.455 2.938 0 1 GFAF Cn1cc(CN2CCN(CCO)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 22918423 OIZGSLXNJWBUBZ-UHFFFAOYSA-N 392.503 2.989 0 3 GFAF CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)CC1 35826254 RRZUKKIIHZCGEZ-UHFFFAOYSA-N 383.492 2.959 0 1 GFAF CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C(C)C)cs1 40011804 DTODSFUFKDSFNR-UHFFFAOYSA-N 387.461 2.857 0 1 GFAF O=C(O)c1cn(C2CC2)c2c(c1=O)C=C(F)C1=NN=C(c3ccccc3F)CN12 1911585696 JIOWRGJJSSUTSV-UHFFFAOYSA-N 396.353 2.967 0 1 GFAF CC(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Br)cc2)C(=O)O1 40380734 CJYZNEIGDXRQIW-FUIJVIPGSA-N 383.238 2.710 0 1 GFAF COC1=CC[C@@H]2N=C(NC(=O)Nc3ccc(N4CCOCC4)cc3)SC2=C1 40575435 AUEJRJQJFKETIL-INIZCTEOSA-N 386.477 2.934 0 1 GFAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(=O)[nH]c2)no1 143978935 NIGUPBZRUNGVGT-MRXNPFEDSA-N 380.404 2.558 0 1 GFAF CCN1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(=O)OC)C1 587763550 ZUYQWFBGOCCLHB-SRBZOADZSA-N 399.304 2.833 0 1 GFAF O=C1COc2cc3[nH]c(C4CCN(c5nccnc5Cl)CC4)nc3cc2N1 587085372 UVLGMPKVROVZNU-UHFFFAOYSA-N 384.827 2.721 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(N)(=O)=O)c1)CC2=O 587483908 GKWPHCDPIRWGLV-LJQANCHMSA-N 375.446 2.873 0 1 GFAF CN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](CCO)C1 587350302 ZEIGMLRXBYRUQN-LVWPNOBMSA-N 385.435 2.963 0 1 GFAF O=C(c1ccc(Cl)cc1)C1CCN(CCn2nc3n(c2=O)CCCC3)CC1 13447940 NOHBWVSVESSSGL-UHFFFAOYSA-N 388.899 2.629 0 1 GFAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4c3CCO4)CC2)CC1 169697053 VLMVFBMJXRVZOG-KDURUIRLSA-N 386.540 2.532 0 1 GFAF CC(C)c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3c[nH]nc3C2)n(C)n1 1857541092 REOAFVAGNYZKNR-UHFFFAOYSA-N 382.424 2.577 0 1 GFAF O=C1CC[C@@H](N2Cc3c(SCc4ccc(F)cc4)cccc3C2=O)C(=O)N1 1857602460 RMMTYLMFBUCYHO-MRXNPFEDSA-N 384.432 2.879 0 1 GFAF Cc1c(C(=O)N(C)C)sc2[nH]c(=O)n(-c3ccccc3C(F)(F)F)c(=O)c12 4793194 SGKMISGTWHPVLP-UHFFFAOYSA-N 397.378 2.770 0 1 GFAF C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)C1 20574315 ZRTBUNQMUFTSLY-STQMWFEESA-N 384.411 2.695 0 1 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H]1CCCC[C@H]1O 29322620 KJZIHOYWZYDQEJ-SJORKVTESA-N 383.920 2.676 0 1 GFAF COc1ccc([C@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1OC 34948297 UOXQVRHHHXEQIR-HGYUOFABSA-N 383.492 2.902 0 1 GFAF CCOC(=O)c1nc(O)c2c(I)c(CC)sc2n1 39240761 QPZFOQTXJZNYFF-UHFFFAOYSA-N 378.191 2.741 0 1 GFAF O=C(CN1CCCN(Cc2nc3ccccc3[nH]2)CC1)Nc1ccccc1F 49088901 AFRZZUAHLZKARG-UHFFFAOYSA-N 381.455 2.848 0 1 GFAF O=C(OCc1cccs1)c1cnn2c1n[n+]([O-])c1ccc(C(F)(F)F)cc12 64447518 LMCJWMXPQWFFOC-UHFFFAOYSA-N 394.334 2.953 0 1 GFAF CCCCNC(=O)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(C)C 82082272 PPRHEDFHUZNMQH-QGZVFWFLSA-N 387.436 2.741 0 1 GFAF COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1)C(C)C 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CC(=O)OCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587758750 JJMSVNCHRXUKGT-DYZYQPBXSA-N 396.260 2.971 0 1 GFAF CC(C)(C)c1cc(Cn2cc(C(=O)N3CCNCC3)nn2)cc(C(C)(C)C)c1 1772582451 MZCPZMDVBHWESA-UHFFFAOYSA-N 383.540 2.967 0 1 GFAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(N(C)c2ccc(Cl)cc2)CC1 1772610040 KBAAZVHDLADJSE-UHFFFAOYSA-N 396.944 2.980 0 1 GFAF CCN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccccc21 1772637350 PCBOLQOPKUEBBQ-SFHVURJKSA-N 391.427 2.809 0 1 GFAF CC(=O)N1CCC(N2C[C@H](F)[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)CC1 2356342915 FYLVHTLTKLCDMQ-FXAWDEMLSA-N 388.487 2.730 0 1 GFAF COc1cc2c(C(=O)NCc3ccccn3)cn(CC(C)C)c(=O)c2cc1OC 4763146 BFFXLPPVVYEMNT-UHFFFAOYSA-N 395.459 3.000 0 3 GFAF CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4041030 PZLBWILAVIBRLK-FPOVZHCZSA-N 398.507 2.895 0 1 GFAF C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)[C@@H]1C 4675832 PHTKJTQURPUOOM-LMMKCTJWSA-N 399.601 2.760 0 3 GFAF C[C@H]1CCCCN1C(=O)CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 6806515 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COc1ccc(-n2cnn(Cc3ccc(O)c(Br)c3)c2=O)cc1 73224413 ZQIFPOGBUYHXMS-UHFFFAOYSA-N 376.210 2.559 0 1 GFAF Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1S(=O)(=O)N1CCOCC1 40897914 JUQFVKJYAGSDTL-UHFFFAOYSA-N 380.510 2.637 0 1 GFAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H]4CC=C[C@@]15c1[cH-]cnc1C[C@]3(C)[C@]245 85548927 UZSRXWVPWMUGMM-LYWCGDPRSA-N 380.464 2.749 0 1 GFAF biogenic,in-vitro C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCC(C)(C)N(C)C 82070768 JALYHJIVPKXZKW-CYBMUJFWSA-N 375.494 2.812 0 1 GFAF O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(c2ccccc2F)CC1 84732732 FAVCMXNMFHPPHH-INIZCTEOSA-N 385.414 2.587 0 1 GFAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCN(C)C)C3)co2)cc1 82069604 JTQURRUGLKFCBO-KRWDZBQOSA-N 385.464 2.607 0 1 GFAF CCNC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2Cl)CC1 149108475 OPNSQSDWCVZBMK-UHFFFAOYSA-N 394.903 2.615 0 1 GFAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893694 JIPAKEXGEFDDCB-SLFFLAALSA-N 379.460 2.594 0 1 GFAF CC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895301 UQDFHIHWLAWPMJ-VJBWXMMDSA-N 392.499 2.897 0 1 GFAF O=C(CSC(=S)N[C@H]1CCOC1=O)Nc1ccc(Cl)cc1Cl 96929093 RKCRNIBBBGJTIW-JTQLQIEISA-N 379.290 2.855 0 1 GFAF CCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253917128 GILYTJDQDXXBEX-LOZSCRFFSA-N 381.472 2.616 0 1 GFAF CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 263591392 ANIDXNZCYPDMLG-JKKPOSLRSA-N 388.504 2.626 0 3 GFAF O=c1oc2cc(Br)ccc2cc1-c1ccc2c(O)nc(O)nc2n1 587366463 NKQMVCROROMVPU-UHFFFAOYSA-N 386.161 2.972 0 1 GFAF O=C(c1cc(I)c[nH]1)n1ncc2ccc(Cl)cc2c1=O 587652685 ZEEMOPQBTUNJGB-UHFFFAOYSA-N 399.575 2.671 0 1 GFAF CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440877 IJSUTPPTVBUJSV-VTJXTGGHSA-N 390.432 2.724 0 1 GFAF COC1CCN(CCCCn2cnc3c(=O)nc(Nc4ccccc4)[nH]c32)CC1 13644937 OPLYHIHFDLCLEZ-UHFFFAOYSA-N 396.495 2.754 0 1 GFAF COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(NC(=N)N)cc3)on2)c1 169330347 ASZPRFACQJQWQI-UHFFFAOYSA-N 381.392 2.916 0 1 GFAF CC1(C)C=C[C@H]2OC(=O)[C@]3(O1)[C@@](C)(O)CC[C@H](OC(=O)c1ccccc1)[C@@]23C 166910510 CMNDLCZGXCIKSM-LHXUZLEUSA-N 386.444 2.792 0 1 GFAF COc1ccc(OC)c(CCN=c2[nH]c3cnc(-c4cncnc4)cc3n2C)c1 1857614383 IWKIZSCPULOQOO-UHFFFAOYSA-N 390.447 2.519 0 1 GFAF COc1cc(Nc2nccc(-c3ccc(NCCN)nc3)n2)cc(OC)c1OC 26983604 QNULKTUETCUJKC-UHFFFAOYSA-N 396.451 2.679 0 1 GFAF COc1ccccc1N1CCN(CCOc2cccc3c2SCC(=O)N3)CC1 27525959 VWKOWCUSSJEQIA-UHFFFAOYSA-N 399.516 2.940 0 1 GFAF NC(=O)c1cnc(Nc2ccc(CCCO)cc2)nc1NCc1ccccc1 40392764 JDMXTNNBTFMEAM-UHFFFAOYSA-N 377.448 2.856 0 1 GFAF O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)Nc1ccc(-c2ccccc2)cc1 95887740 UTTUQCGEIXLGEI-LNRXMEIDSA-N 396.487 2.579 0 1 GFAF COC(=O)N1c2ccc(OC)cc2[C@@]23CCN4CCC[C@]5(CC[C@]12CC5=O)[C@H]43 238747215 PYQSZNVEVRFKNA-BDKRGJGYSA-N 382.460 2.879 0 1 GFAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCC2)cc1F 261101709 GMAOOYGDDCJHNC-UHFFFAOYSA-N 392.880 2.974 0 1 GFAF O=C(CCn1sc2cccc(F)c2c1=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 299839930 ZYTBREURZGASBF-CJKMCJCZSA-N 390.480 2.792 0 1 GFAF COc1ccc(S(=O)(=O)Cc2nc3ccnc(Br)c3[nH]2)cc1 586920029 DKPNBNATHAOIRL-UHFFFAOYSA-N 382.239 2.703 0 1 GFAF N=c1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c[nH]1 586958114 CZHVKYVIUGQZQG-QFIPXVFZSA-N 379.283 2.873 0 1 GFAF COC(=O)c1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1 587132450 QLBLEKGCJJXPLF-VIFPVBQESA-N 382.367 2.714 0 1 GFAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cnnc(O)c3[nH]2)c(O)c1 587240661 NMBAFEIEEAEGKL-UHFFFAOYSA-N 375.388 2.921 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2 587395502 NIKTXYUSVSPXEV-VBKZILBWSA-N 390.436 2.765 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4C(=O)C=CC4=O)c1)[C@@H](C2)C3=O 587437451 IMBDQSMUCFWMIG-AOMKIAJQSA-N 375.380 2.787 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588504 KWQKFLRQYADXFI-SCLBCKFNSA-N 396.355 2.701 0 1 GFAF COc1ccccc1CC(=O)c1nc2cc(C3=C(C)CC(=O)NN3)ccc2[nH]1 587932161 UXJHETXMARYKMK-UHFFFAOYSA-N 376.416 2.752 0 1 GFAF CC1=C(c2ccc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c3c2)NNC(=O)C1 587959454 NOXZQRPRZDDHPF-UHFFFAOYSA-N 376.416 2.536 0 1 GFAF COC1([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CCOCC1 962973254 JSNWKLLNZQVRMY-WBMJQRKESA-N 375.799 2.628 0 1 GFAF Cc1cc2c(cc1O)[C@@](CC(=O)c1ccncc1)(C(F)(F)F)N[C@H](C(=O)O)C2 963524225 KBDCHWKIGMUGTN-KSSFIOAISA-N 394.349 2.725 0 1 GFAF COCC=Cc1ccc(O)c(Oc2ccc([C@@H](O)[C@@H](O)COC)cc2O)c1 2356400484 AMPDGYCWLBGPQE-FXAWDEMLSA-N 376.405 2.590 0 1 GFAF C[C@@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCN(c2ccccn2)CC1 2356408904 RYADOHPGIDQZAD-CQSZACIVSA-N 396.422 2.891 0 1 GFAF CO[C@H]1CC[C@@H](C[C@H]2COC(=O)[C@H]2C[C@@H]2CC[C@@H](O)[C@H](OC)C2)C[C@@H]1OC 2356665229 YYGRXNOXOVZIKE-ANGMNYQQSA-N 384.513 2.562 0 1 GFAF O=C(NCCCC[C@H](CO)NC(=O)c1cccc(F)c1)c1cccc(F)c1 2356805845 ADZPCBFCRBZEDS-GOSISDBHSA-N 376.403 2.656 0 1 GFAF O=C(NCCc1nccs1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12458853 MWYKVQWPYYZZEG-OAHLLOKOSA-N 391.924 2.937 0 3 GFAF COC(=O)[C@@H]1CCC(=O)N1[C@@H](c1ccc(OC)cc1)c1ccc2c(c1)OCO2 1645077 NIUHAHUFZKQQOF-JXFKEZNVSA-N 383.400 2.677 0 1 GFAF CC(C)(C)c1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccc(F)cc2)nn1 2356298610 NYGLZCNUURQCNN-NZSAHSFTSA-N 399.514 2.742 0 1 GFAF CN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccccn2)c2ccccn2)cc1 6244438 BHBLYURTSZLAQA-UHFFFAOYSA-N 382.445 2.705 0 3 GFAF CCCN(C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12)[C@H](C)CC 28892034 ZTNQARXYUILYHE-AEFFLSMTSA-N 378.538 2.990 0 1 GFAF Cc1nnsc1C1=NN[C@H]2SC(c3cccc(OC(F)(F)F)c3)=NN12 103206386 UTOUCCMOLKNTBY-GFCCVEGCSA-N 386.384 2.704 0 1 GFAF O=C(NCc1ccc(-c2noc(CCC3CCCCC3)n2)cc1)[C@H]1NCC[C@@H]1O 58502043 RYYHCPPWZJWNCJ-ICSRJNTNSA-N 398.507 2.589 0 1 GFAF CC(=O)O[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC=C(C)[C@@H]3C2)OC[C@H](O)[C@H]1O 2356400031 NTUCDCCCTFLXCV-NTGHUOFKSA-N 396.524 2.954 0 1 GFAF CN1C[C@@H](NCC2CC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356455033 DSSCLTIVLAXSQG-APWZRJJASA-N 393.478 2.598 0 1 GFAF COc1cccc(CN2c3ccc(Br)cc3C(=O)CS2(=O)=O)c1 36382993 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CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1 13596508 XOIRXLXVGQLJTF-OAHLLOKOSA-N 397.456 2.918 0 3 GFAF O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12 13860774 KNWXUWPPDTZSFW-UHFFFAOYSA-N 387.367 2.960 0 1 GFAF C[C@H](O)CCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 13915877 BHQIBLIRLOZADN-INIZCTEOSA-N 385.508 2.637 0 1 GFAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(SC(C)(C)C)oc23)[C@@H](O)C1 14945069 IUCLAKBWNSRBAI-HZMBPMFUSA-N 379.478 2.875 0 1 GFAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)CCCC(=O)O)/C=C\C(=O)O1 169354435 MOGVXKCDKQZYPO-HOWIRWCWSA-N 394.464 2.768 0 1 GFAF CC(C)c1cn2cccc(C(=O)NCC3[C@H]4CN(CC5CCOCC5)C[C@H]34)c2n1 1857761963 ATJLMQWUQXSGDV-WOJBJXKFSA-N 396.535 2.792 0 1 GFAF CN1C(=O)N[C@@H](c2cccnc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4140268 FOMXGRXQNHKVHM-XUJVJEKNSA-N 385.367 2.589 0 1 GFAF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 13685933 IIMYRTZDWODUAY-UHFFFAOYSA-N 397.504 2.886 0 1 GFAF CC[C@H]1CN(CC(=O)N2CC[C@@H](N(CC)CC)C2)Cc2cc(OC)ccc2O1 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NS(=O)(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133241 NCYPDUPGXLMXTI-UHFFFAOYSA-N 388.207 2.887 0 1 GFAF COC1=COC(C(=O)O)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618949 VPLVYDGZGHXNOY-OXJNMPFZSA-N 382.324 2.579 0 1 GFAF O=C(O)[C@@H]1C[C@H]2C=CC[C@@H](C1)[C@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963239171 ZZONSNIDNUNDDG-GITYTISZSA-N 378.428 2.716 0 1 GFAF Oc1nc(N2CCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1 1772593351 FOWDJJJAYAAQNM-GFCCVEGCSA-N 382.493 2.833 0 1 GFAF CC(=O)N[C@@H]1CSCON2CCc3c([nH]c4ccc(Br)cc34)[C@H]12 2356306528 DUTYWVNXOZDNLC-ZBFHGGJFSA-N 396.310 2.970 0 1 GFAF CCCCN[C]1NC2=C(C[C@H]3[C@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]2CC(=O)O)S1 2356844825 WCDXFSLEEJUPMV-RSWIEMLOSA-N 397.561 2.641 0 1 GFAF O=C(Nc1cccc(F)c1)NC1(C(=O)N2CCN3CCC[C@H]3C2)CCCCC1 4981935 CDISWVAETGXUAI-SFHVURJKSA-N 388.487 2.957 0 3 GFAF O=C(O)Cn1c(CCS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 2501573 JHMAYGVRFCPRIG-UHFFFAOYSA-N 378.837 2.791 0 1 GFAF COc1ccc2c(O)c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1OC 6522657 JSWHMIHLYHDNPX-UHFFFAOYSA-N 376.386 2.657 0 1 GFAF CN(C)CC(=O)N1c2cc(Cl)ccc2N(C)S(=O)(=O)c2ccccc21 28767227 DPUIMMMOEYQNGM-UHFFFAOYSA-N 379.869 2.705 0 1 GFAF Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n12 34800791 UNGYPXFMYYJLOR-UHFFFAOYSA-N 396.410 2.868 0 1 GFAF CN1CCOc2cccc3nc(O)c(nc23)-c2cccc3c(=O)n(sc23)CC1 36188407 UBDJFWHIOPBJFY-UHFFFAOYSA-N 394.456 2.703 0 1 GFAF Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccco4)cc3)cc2n(C)c1=O 40879552 DHQDIUVNRWLRII-UHFFFAOYSA-N 394.387 2.574 0 1 GFAF CC(C)COc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O 72124340 DDZYBRMWOKGCHN-UHFFFAOYSA-N 392.503 2.826 0 1 GFAF CCCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2csc(CC)n2)C1 82069383 SLLCFRROYHYVRM-HNNXBMFYSA-N 381.542 2.881 0 1 GFAF O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 95893447 KNVYHLTXMAQUKI-PWRODBHTSA-N 391.471 2.588 0 1 GFAF CCCc1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 169322224 RPKZPWOFHZFQOU-SFHVURJKSA-N 391.427 2.784 0 1 GFAF COc1ncccc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1 225558029 LJYNUPVVIKFBBT-UHFFFAOYSA-N 388.431 2.927 0 1 GFAF C[C@H]1CCCN1S(=O)(=O)C[C@H]1CC[C@H](N(C)c2ncnc3[nH]ccc23)CC1 261162419 RCXRAMFMJRBTPM-JYJNAYRXSA-N 391.541 2.767 0 1 GFAF Cc1ccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)cc1 299834461 JHDZAEOPEFOVMY-UHFFFAOYSA-N 388.427 2.981 0 1 GFAF CNS(=O)(=O)c1ccc(CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586946309 JROYVWIYDVMKLU-UHFFFAOYSA-N 399.451 2.581 0 1 GFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587204930 VCHANMFSFNMCHO-GOSISDBHSA-N 392.459 2.873 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 587228101 FUUUYMDXBFQPRN-UHFFFAOYSA-N 394.391 2.643 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nn(C)cc1I)O2 587387369 QPGHNXOZUXJRIB-OAHLLOKOSA-N 397.216 2.796 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428329 MFYQCECWELPXOA-VFNWGFHPSA-N 384.359 2.609 0 1 GFAF CCOC(=O)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587742915 UZSRUNGLCFFVIO-OSXSJPMVSA-N 385.277 2.956 0 1 GFAF Cc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587828573 UBKQPNJJGASKOH-ADLMAVQZSA-N 380.257 2.985 0 1 GFAF CCc1cc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)n[nH]1 963147102 NWJYYKCIDJAHAF-QWHCGFSZSA-N 378.454 2.764 0 1 GFAF CCOC(=O)C[C@]1(c2ccc(C)o2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219187 DCQSCIUYRGTXGA-AVRDEDQJSA-N 394.427 2.932 0 1 GFAF CC(C)C/C=C/C=C/C(=O)N(CCO)c1cc(CCC(=O)O)c(O)cc1O 1857639149 YZXFOWJHEPOBBN-BDWKERMESA-N 377.437 2.599 0 1 GFAF O=C(NC[C@@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1ccc2c(c1)OCO2 2356300867 ZDDBLNUUWKIRBE-MRXNPFEDSA-N 395.390 2.747 0 1 GFAF Cc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@H]2CC(=O)NC(C)C 2356381860 CWRWQTRDMVLOPB-BWCMQUJESA-N 380.554 2.782 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]34C[C@H](CC[C@H]3[C@@]2(C)CC[C@H]1O)[C@](O)(CO)C4 2356415651 RPLIDLJMEABHAT-BPNMPVEJSA-N 380.525 2.657 0 1 GFAF CC[C@H]1C[C@H]2N3CC[C@@]4(O)C(=Nc5ccc(OC)cc54)[C@@]2(C(=O)OC)C[C@H]1C3 2356518800 CKWXDLJHOHJWOX-GGPATYEESA-N 384.476 2.652 0 1 GFAF CC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC[C@H]1CCCO1 1381306 CCZMFGXGYJBMLG-KCJUWKMLSA-N 381.281 2.927 0 3 GFAF COc1ccc(-c2cc3nc(NCCNC(C)=O)n(C)c(=O)c3s2)c(C)c1 61904809 FMFIEEXFEXVHNM-UHFFFAOYSA-N 386.477 2.527 0 3 GFAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1CCCCC1 61908736 YTUUGAWSBPOQPB-GOSISDBHSA-N 398.912 2.716 0 3 GFAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CC2)C(=O)N1CCC1=CCCCC1 61920959 YLOUSNVSQCMUHH-QGZVFWFLSA-N 387.524 2.756 0 3 GFAF COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 263590339 ROQPPUVNHYBHNU-HOCLYGCPSA-N 392.864 2.772 0 3 GFAF CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(OC)cc2)n(C)c1C 1566162 HCIBDAMXXCMZCU-UHFFFAOYSA-N 375.425 2.721 0 1 GFAF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4206593 RQFOYLUNRRCLGK-WBVHZDCISA-N 394.880 2.618 0 1 GFAF C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@H]2N(CCO)CCO 6201677 IEQZBQLFRAVFHT-HPTKSSEUSA-N 377.569 2.965 0 1 GFAF NC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3[C@H]3CC=NN23)cc1 6620073 UOIBKMXCQONFQI-MRXNPFEDSA-N 379.445 2.891 0 3 GFAF aggregator CCOC(=O)N1CC[C@H]2c3c(nc(-c4ccc(OC)cc4)[nH]c3=O)S[C@@H]2C1 28524493 WJLYNZTYNQMVLS-ZIAGYGMSSA-N 387.461 2.866 0 1 GFAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cnccn5)C[C@@H]3N4)cc2)c1 100105891 VCNATCUZQSBSEQ-ZBYYUNFXSA-N 386.455 2.732 0 1 GFAF O=C1N[C@H](Cc2ccccc2)c2nc3cc(F)ccc3c(=O)n2-c2ncccc21 61921455 GUARQYASMAPBSX-GOSISDBHSA-N 386.386 2.947 0 3 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CCC[C@H](C(=O)O)[C@@]21C 2356580368 PLUOSPXAEMKKRW-AAHJHJIOSA-N 392.448 2.991 0 1 GFAF CCOc1ccc(CCNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)cc1 82204054 HRJLCGWVVLIETC-KRWDZBQOSA-N 383.496 2.540 0 1 GFAF COc1ccc(CNc2ncnc3c2ncn3[C@@H]2CCCO2)c(OC)c1OC 40917846 BCMSVFCARDDWCH-AWEZNQCLSA-N 385.424 2.773 0 1 GFAF O=C(O)c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1F 587007905 FQRBUBJLXYWWPK-UHFFFAOYSA-N 376.145 2.872 0 1 GFAF N[C@@H](N=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587127575 XOIWURUAVKHDPB-NSHDSACASA-N 385.327 2.642 0 1 GFAF COCCN1C(=O)C[C@@]2(C=C1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584591 YZESWWBGSKNHNG-DENIHFKCSA-N 395.411 2.875 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](C)N1C(=O)CCC1=O)O2 587390352 GUKTUJSIICZZRP-JLCFBVMHSA-N 378.428 2.975 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(N1)C(=O)Nc1cccc(C(F)(F)F)c12 962906795 QZTXENVLHCAQOP-SUMWQHHRSA-N 380.297 2.639 0 1 GFAF CN1CCc2cnn(C)c2[C@@]12C(=O)c1cc(O)ccc1O[C@@H]2c1ccc(O)cc1 963955273 OVLSFTAPJMLKND-YADHBBJMSA-N 391.427 2.531 0 1 GFAF CC[C@H](NC(=O)CCN)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F 1772578029 LKDWLPOAUXKTKO-ZDUSSCGKSA-N 378.835 2.603 0 1 GFAF CCOc1ccc(OCC)c(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c1 5845205 ZUXUBCJQFVWMFT-UHFFFAOYSA-N 382.468 2.931 0 1 GFAF COc1ccc(Cl)cc1OC1CN(S(=O)(=O)c2ccc3[nH]ncc3c2)C1 1857656677 HTKXEUQIKGGWGD-UHFFFAOYSA-N 393.852 2.677 0 1 GFAF O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccccc1Cl 3819646 CAGLPTUMBKISRZ-UHFFFAOYSA-N 381.819 2.639 0 1 GFAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4038964 SSFJQRCRWPWGQK-SBHAEUEKSA-N 381.476 2.732 0 1 GFAF O=C(O)CSc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1 4180977 PJNUZXLQKQUWLF-UHFFFAOYSA-N 378.413 2.748 0 1 GFAF O=C(c1ccc(C[S@](=O)c2ccccc2)o1)N1CCC2(CC1)OCCO2 20240513 FWKBGBAYQIHFAB-AREMUKBSSA-N 375.446 2.567 0 1 GFAF Cc1c(S[C@@H]2CCCCN2)n(COCSc2ccccc2)c(=O)[nH]c1=O 28138200 CBBPKAKSAKZQFN-OAHLLOKOSA-N 393.534 2.761 0 1 GFAF CNS(=O)(=O)c1cccc(-c2ccc([C@](O)(c3c[nH]cn3)C(C)C)cc2)c1 71318004 IPNCNQRVJPVKSD-FQEVSTJZSA-N 385.489 2.877 0 1 GFAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCc1cccc(F)c1 82203856 AOEWYYRFKBGSHA-UHFFFAOYSA-N 393.470 2.695 0 1 GFAF CNC(=O)CNC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103199593 BOZGUHGZAYBYIZ-SNVBAGLBSA-N 398.246 2.810 0 1 GFAF CNCc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)c1Cl 115730287 IERIVIPFSFXILD-UHFFFAOYSA-N 380.832 2.694 0 1 GFAF O=C1COc2ccc([C@@]3(O)c4ccccc4C(=O)N3c3cccc(O)c3)cc2N1 116254613 ZIWAPRHNXHFNHQ-JOCHJYFZSA-N 388.379 2.577 0 1 GFAF COc1cccnc1[C@H]1C[C@@H]1COc1cc(NCc2cnn(C)c2)nc(C)n1 205796597 JYOKKXWVFCGTBY-CVEARBPZSA-N 380.452 2.717 0 1 GFAF O=C(NS(=O)(=O)CCO)c1cc(C2CC2)c(OCC2CCCCC2)cc1F 216242221 TVCUAZINIPHNES-UHFFFAOYSA-N 399.484 2.714 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 586946769 PBXMBXSLDRACNQ-ZDUSSCGKSA-N 392.868 2.736 0 1 GFAF COC(=O)c1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cn1 587133134 YGPZOHIQQQFWQD-SECBINFHSA-N 382.367 2.714 0 1 GFAF COCC(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587562898 IROSZOBMIOBGES-UHFFFAOYSA-N 393.852 2.775 0 1 GFAF COC(=O)C[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586612 IXTJOEXWXNPZRN-NQIIRXRSSA-N 392.367 2.602 0 1 GFAF O=C(NCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1 653689000 HGNFLYMGOTXLPZ-UHFFFAOYSA-N 379.291 2.940 0 1 GFAF CN(CC(=O)O)c1ncc([C@H]2c3ccsc3CCN2Cc2ccco2)cn1 962714147 YSCQEJGSPZRVEH-SFHVURJKSA-N 384.461 2.800 0 1 GFAF C[C@H](Oc1cccc([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1)C(=O)O 963032758 VEZHXBRVJBAAOV-OKHZJLECSA-N 380.444 2.855 0 1 GFAF Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](OCc1ccc(F)cc1)CC(=O)N2 1772594206 NXVSAODSLDRWDB-CYBMUJFWSA-N 393.382 2.586 0 1 GFAF CCN1CCN(c2nc3cc(F)ccc3c(=O)n2-c2ccc(OC)cc2)CC1 1857564786 LDVRRMDXKLICNV-UHFFFAOYSA-N 382.439 2.675 0 1 GFAF CCNC[C@](O)(CCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H](C)N1)CC(=O)O 2356291828 BBHSCULAZJXZJF-XCJLJZCSSA-N 386.577 2.814 0 1 GFAF COc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1COc3ccc4c(c3[C@@H]1O)CCCO4)CO2 2356500753 AYFYREJCCXAGKG-WWLNLUSPSA-N 384.428 2.804 0 1 GFAF O=C(O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc2ccccc2n1 28969724 KMZMBXACLLSTGI-KBPBESRZSA-N 389.415 2.823 0 1 GFAF O=c1c(-c2cccc(CO)c2)cccn1[C@@H](CN1CC[C@H](O)C1)c1ccccc1 36190521 CZIDHILBPYABIX-GMAHTHKFSA-N 390.483 2.664 0 1 GFAF CCOc1ccc2c(c1)cc([C@H](O)P(=O)(OCC)OCC)c1nnnn12 49525605 IQUODIHFDPYOAF-MRXNPFEDSA-N 380.341 2.933 0 1 GFAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(C)(C)CO)nc21 71329431 JKNVMEDXAYWIMH-UHFFFAOYSA-N 376.363 2.582 0 1 GFAF CC1(C)CO[C@H]1c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1 95571701 TVBMHSCAUHDXHV-HNNXBMFYSA-N 398.492 2.665 0 1 GFAF CC1=CC(C)(C)NC(=S)N1c1n[nH]c(N2C(=S)NC(C)(C)C=C2C)n1 101425671 SIBUDGABUWUJKQ-UHFFFAOYSA-N 377.543 2.559 0 1 GFAF COc1ccc(C(=O)[C@@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1OC 103223657 RYPHKZUVFXPUMU-PDSXEYIOSA-N 386.400 2.611 0 1 GFAF CCOc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)nn2)c1 146980119 RAPKLKHDURZSNE-HXUWFJFHSA-N 393.447 2.579 0 1 GFAF COC1CN(c2ncnn3c(C)nc(-c4cnn(C)c4-c4ccc(C)cc4)c23)C1 169697348 ZGIWUOXDJOTCIL-UHFFFAOYSA-N 389.463 2.644 0 1 GFAF Cc1ncc([C@@H](CNC(=O)c2cccc(F)c2Cl)N2CCCOCC2)cn1 217086717 CJIGDZQDCYHUNP-QGZVFWFLSA-N 392.862 2.771 0 1 GFAF Cc1ncccc1-c1ccc2c(c1)[C@]1(COC(N)=N1)C1(COC1)C1(CCC1)O2 220714992 UJNYDVRLOOXJNH-JOCHJYFZSA-N 377.444 2.929 0 1 GFAF CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)n1 299811035 NTUVTYWXYODDKF-OKILXGFUSA-N 375.423 2.974 0 1 GFAF CCN(CC)C(=O)COc1c(F)cc(CC(=O)OCC(F)(F)F)cc1OC 299824910 FBEBJIZRYUJSHQ-UHFFFAOYSA-N 395.349 2.730 0 1 GFAF Cc1cc2c(F)c(Oc3ncnn4cc(OS(=O)(=O)O)c(C)c34)ccc2[nH]1 299852965 CDZCHTFAYMASTK-UHFFFAOYSA-N 392.368 2.940 0 1 GFAF C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(C)c3)ncc2Cl)c1 473105924 UITZSWYAMHHKPO-UHFFFAOYSA-N 383.843 2.766 0 1 GFAF O=C(NCC(F)(F)F)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(F)cc1 473136595 SJMRDPRLKDCQFH-MRXNPFEDSA-N 396.340 2.841 0 1 GFAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(O)ncnc4[nH]3)c2)cc1 586930819 HURYIKWLGMYSKL-UHFFFAOYSA-N 395.444 2.859 0 1 GFAF COC(=O)c1ccnc2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc12 587060855 ONTNLWFZELAPLV-UHFFFAOYSA-N 380.795 2.934 0 1 GFAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(CCO)cc2[nH]1 587182132 LTWULHZEKOBLEF-JTQLQIEISA-N 396.232 2.817 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCS(=O)(=O)c3cc(F)c(F)cc31)O2 587386348 XNQSXSODZLLHLY-SFHVURJKSA-N 379.384 2.894 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@H](F)C(=O)OCC)CC2=O 587464108 INQCAYSLDGEATI-VQIMIIECSA-N 382.384 2.513 0 1 GFAF COc1cccc([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587808036 NBQHRYBITZPVBA-MGNBDDOMSA-N 396.256 2.685 0 1 GFAF COCCNc1[nH]c(=NCCc2c[nH]c3ccc(Cl)cc23)[nH]c2ncnc1-2 1857608779 HYPFEZBYDDOATD-UHFFFAOYSA-N 385.859 2.574 0 1 GFAF CN1CCN(c2ccc(Nc3ncc(Cl)c(=NCc4ccco4)[nH]3)nc2)CC1 1911576035 DADZAXRKSGGBOW-UHFFFAOYSA-N 399.886 2.647 0 1 GFAF COc1cc(/C=C/C(=O)O)ccc1OCc1cn(-c2ccccc2OC)nn1 1911578855 SMVOPNPQEGTNJM-CSKARUKUSA-N 381.388 2.961 0 1 GFAF CN(Cc1ccon1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 11766552 NTAOYQGCVLYLQT-OAHLLOKOSA-N 375.856 2.768 0 3 GFAF Cc1cc(C)nc(CCNC(=O)c2cc(COc3ccc(F)cc3F)on2)n1 13594814 XYOJXDGNICHONS-UHFFFAOYSA-N 388.374 2.911 0 3 GFAF O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1cccc3ccccc13)C(=O)O)C2=O 13815978 CZNPWASYMRBJCX-GOSISDBHSA-N 389.363 2.830 0 3 GFAF in-vivo Cn1cc(CN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(-c2ccccc2F)n1 59896499 IFMUIIFJGYLFIE-SFHVURJKSA-N 393.466 2.902 0 3 GFAF CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=S)N1CCCC1 5716176 CSAAUMYWSFRJKT-OALUTQOASA-N 389.565 2.688 0 1 GFAF COc1cc(N2C(=O)[C@@H](OC)[C@H]2c2ccc3c(c2)OCO3)cc(OC)c1OC 26176966 ASJCRGVHHQDGLN-MJGOQNOKSA-N 387.388 2.544 0 1 GFAF CCN1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)CC1 57996613 NPUGHJHZAPCFKV-UHFFFAOYSA-N 381.455 2.888 0 1 GFAF CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCCC)C(=O)CO 82061044 CVXFMJDCNAWQSG-MSOLQXFVSA-N 392.496 2.708 0 1 GFAF COc1cc(-c2cn(-c3cc4ccccc4n(C)c3=O)nn2)cc(OC)c1OC 84604826 UICXVNXVVIBZMJ-UHFFFAOYSA-N 392.415 2.812 0 1 GFAF O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 95893448 KNVYHLTXMAQUKI-NJYVYQBISA-N 391.471 2.588 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C(=O)c1ccccc1)C(C)C 95895345 XRUWEPTYFYYESG-BHDDXSALSA-N 380.488 2.913 0 1 GFAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(CN)cc4)ccc31)[C@H]1CC[C@H](C2)N1 100632271 AJMPBKFJRDIAGM-RDTXWAMCSA-N 381.501 2.819 0 1 GFAF O=C(O[C@H]1C=C[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1)c1ccccc1 103300268 YTSNWZDQHQNOFZ-PMACEKPBSA-N 388.423 2.785 0 1 GFAF COc1ccc(-c2[nH]c3ccccc3c2C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)cc1 103300861 VWKLIQOSRDIROR-PMACEKPBSA-N 389.455 2.875 0 1 GFAF CC(=O)NCCC[C@H]1OC[C@@H](Oc2ccc(OCc3ccccc3)cn2)CO1 116486542 SWCJEMIHSBXCCO-XUTJKUGGSA-N 386.448 2.697 0 1 GFAF O=C(O)CC[C@@H]1CCC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 148639792 CYLHGVYASRLHMY-NGVALPOPSA-N 390.476 2.782 0 1 GFAF CO[C@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@H]3C5 169348531 DRJFACWZQYBMLO-VBRQEZNNSA-N 383.488 2.647 0 1 GFAF Nc1cc(N2CCN([C@H](CN3CCCCC3)c3cccc(F)c3)CC2)ncn1 219304853 QYFWKAAHEMXBJV-LJQANCHMSA-N 384.503 2.547 0 1 GFAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]21 238745892 DBCVUIBEXPYXAJ-PQSJUMPYSA-N 384.476 2.656 0 1 GFAF C[C@H]1/C(=C/C(=O)N(C)CCO)CC[C@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@H](O)CC[C@]21C 238777167 KDNBPNSKQKVOSU-BZLRJBKWSA-N 391.552 2.802 0 1 GFAF O[C@@H](CCN1CCN(C(=S)NCCc2ccccc2)CC1)c1ccccc1 473137608 YCIVWVOODWDTDV-NRFANRHFSA-N 383.561 2.845 0 1 GFAF O=C(NCc1nc2c(S)nc(S)nc2[nH]1)c1cccc(C(F)(F)F)c1 587111670 NXAMVZMLZBDOMC-UHFFFAOYSA-N 385.396 2.879 0 1 GFAF O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H]1C(=O)O 587970902 OFFTZLRNHXEUHB-WHUPJOBBSA-N 393.115 2.843 0 1 GFAF O=C(C1CC1)N1CCC[C@]12C(=O)Nc1ncc(-c3ccc4nccnc4c3)cc12 1857572997 IDFNWMWUIBGXDM-QFIPXVFZSA-N 385.427 2.872 0 1 GFAF O=C1c2ccc(Br)cc2S(=O)(=O)N1CCc1ccc(O)cc1 1911581116 GFRMPSHDHVYDNV-UHFFFAOYSA-N 382.235 2.542 0 1 GFAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=S)NCc2ccco2)CC1 2356285944 BAVBZWWNFSAJQP-FHWLQOOXSA-N 390.597 2.686 0 1 GFAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H]4CC=C[C@]15c1cc[nH]c1C[C@@]3(C)[C@@]245 2356343129 JFHIBKUEFPCDHR-QNOIYHFGSA-N 381.472 2.963 0 1 GFAF CCCNC(=O)c1cc([C@H]2CCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)on1 61897323 NGRRAGGCPDDKBR-INIZCTEOSA-N 398.463 2.793 0 3 GFAF COc1ccc(CNC(=O)c2cn(Cc3ccccc3OC)c(=O)s2)cc1 61897507 DZDDSHYMJWEXNF-UHFFFAOYSA-N 384.457 2.905 0 3 GFAF Cc1ccc(C2=NNC(c3ccncc3)=c3cc(Br)ccc3=N2)cc1 104233076 QPZSKSSWAQQJLQ-UHFFFAOYSA-N 391.272 2.894 0 3 GFAF CC(C)NC(=O)N1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)CC2 3955893 PZOQPTKBEGRLAR-UHFFFAOYSA-N 379.526 2.671 0 1 GFAF O=S(=O)(c1ccccc1)n1ccc2c(OCCN3CCOCC3)cccc21 28132329 ILMZYPJUTGVIBA-UHFFFAOYSA-N 386.473 2.589 0 1 GFAF C[C@H]([C@H](O)c1ccc2c(c1)CNC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 28952084 LIIMZDKZANZWFU-VLIAUNLRSA-N 399.466 2.866 0 1 GFAF Cc1cc(-c2nc3c([nH]2)C2=N[C@@H](C)CN2C(=O)N3Cc2ccccc2)nn1C 72107924 VBUCJPOBSNVRTH-LBPRGKRZSA-N 375.436 2.710 0 1 GFAF CSc1nn(-c2ccccc2)c2cc(NC(=O)CCN3CCNCC3)ccc12 72175276 NSHVDBCPOQJLDG-UHFFFAOYSA-N 395.532 2.981 0 1 GFAF O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 84732739 VPNGEXUPXGYSJV-SFHVURJKSA-N 385.414 2.587 0 1 GFAF COc1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)o2)cc1 103208426 NJSDLDGTVVGXGF-UHFFFAOYSA-N 396.432 2.602 0 1 GFAF O=S(=O)(CC1CC1)NCc1cccc([C@@]2(Cc3ccccc3)CCNC2)c1 114248724 LPVHWPGGFBBWCR-JOCHJYFZSA-N 384.545 2.990 0 1 GFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 136108719 QDNGVIMUWLFPTA-FKGLVLAHSA-N 376.865 2.861 0 1 GFAF COc1ncc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cn1 219736870 QFVFBPDFNJQVTP-OAQYLSRUSA-N 391.471 2.950 0 1 GFAF COC(=O)c1cnn(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c1 299831058 HZJUKWAPMUWQBZ-UHFFFAOYSA-N 378.432 2.609 0 1 GFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586941187 QMOZYPRFIHPRQG-CMDGGOBGSA-N 396.472 2.846 0 1 GFAF Cc1ccnc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc12 586943304 ZSSAZWMCXNSZSN-UHFFFAOYSA-N 387.284 2.569 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12 587070616 SWZZRKQTPGMEGK-CYBMUJFWSA-N 392.912 2.752 0 1 GFAF COC(=O)C[C@@]1(c2cccc(OC)c2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441156 FAPUMMLZJWILNP-QRQCRPRQSA-N 398.411 2.918 0 1 GFAF COC(=O)[C@@]1(CC(C)=O)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640952 MPGKVBZVSYKAFH-NFBKMPQASA-N 378.472 2.781 0 1 GFAF COc1ccc(Nc2ncc3c(n2)CCN(C(=O)c2cccnc2)C3)cc1OC 1772640218 DMGSMYLIZXPVTK-UHFFFAOYSA-N 391.431 2.831 0 1 GFAF CCOC(=O)C=C1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc21 1857622107 RYQDPHUGUGSNLQ-UHFFFAOYSA-N 387.457 2.846 0 1 GFAF COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCC(=O)CC[C@@H](O)CC(=O)C2 2356821264 FYSVSOAMDIXBBX-CMPLNLGQSA-N 398.839 2.605 0 1 GFAF CCc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1 5156396 PWVNWHFCCOPFPM-UHFFFAOYSA-N 386.429 2.614 0 3 GFAF COc1cc(-c2nc(CN3CCN(c4ncccn4)CC3)c(C)o2)ccc1F 55414907 MAVKOZOTNACGJU-UHFFFAOYSA-N 383.427 2.910 0 3 GFAF CCOc1ccc(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1 5036206 VQUULKDZNHFNBD-UHFFFAOYSA-N 385.489 2.832 0 1 GFAF COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](O)C2 5248853 XTGUWFUENAJQSX-AUUYWEPGSA-N 376.405 2.767 0 1 GFAF biogenic C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C(=O)O)cc1 10450404 CYTIJUOEHJHUGQ-LLVKDONJSA-N 397.836 2.702 0 1 GFAF COc1ccc2c(OC)c3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2 14589720 DKADXDLGBHHZTI-UHFFFAOYSA-N 381.384 2.979 0 1 GFAF biogenic CCCCC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27312122 OKDSLRNNVGZCAW-ZFWWWQNUSA-N 391.443 2.819 0 1 GFAF CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCC3)CC2)c2ccccc21 49053599 XWFLEYFEKNLMEU-UHFFFAOYSA-N 384.524 2.909 0 1 GFAF CS(=O)(=O)N1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72184527 UGBIIEXMKKUYJV-QGZVFWFLSA-N 399.438 2.767 0 1 GFAF O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 95893306 IGXMDRPGAHRYCD-AQNXPRMDSA-N 395.434 2.943 0 1 GFAF CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(C(F)(F)F)c1 100285992 DCYFPVDEBRJURE-LALPHHSUSA-N 390.427 2.776 0 1 GFAF COc1ccc2c(c1)c(CC(=O)O)c1n2C[C@@H](N(C)c2ncc(F)cn2)CC1 144692760 VYFYDEWBARKTBN-ZDUSSCGKSA-N 384.411 2.657 0 1 GFAF NC(=O)NCc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1 147132845 MJNVZFSKUIJLPR-UHFFFAOYSA-N 379.401 2.746 0 1 GFAF CN1CCc2c3c(n(-c4ccc5c(c4)CCNC5=O)c2C1)CC(C)(C)CC3=O 169308149 AVFBSMWWJOVYGJ-UHFFFAOYSA-N 377.488 2.906 0 1 GFAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cncnc3)c2)c2cncnc21 169707942 DXFSSIMWXGFGHR-UHFFFAOYSA-N 387.403 2.681 0 1 GFAF CO[C@]12C/C(C)=C/CC[C@H](C)[C@H]3CC[C@@](C)(O3)[C@@H](O)[C@H](O)C1=C(C)C(=O)O2 238783187 XNCQSLQRDRRFCP-RLPZVADSSA-N 380.481 2.628 0 1 GFAF N#Cc1ncc2nc1OCCC=CCOc1ccc(CCCO)cc1NC(=O)N2 253660987 VVKWTUVNGXSWJZ-UHFFFAOYSA-N 395.419 2.635 0 1 GFAF COC(=O)C1=C[C@H]2C[C@H]3[C@@]14CC[C@@]1(O[C@H]4O2)C(=O)O[C@H](c2ccoc2)C[C@]31C 2356725619 RGDBZDOPISKAIW-RJJOAENPSA-N 386.400 2.667 0 1 GFAF CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4258129 JTGLGPBZTRBHOC-PVAVHDDUSA-N 392.496 2.826 0 3 GFAF CC(C)C[C@@H](CO)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O 8680068 RSXCENTWUYMKHO-INIZCTEOSA-N 386.414 2.787 0 3 GFAF CC1CCN(S(=O)(=O)c2ccc(NC(=O)CNC3CCCCC3)cc2)CC1 902153 MKTSPXMNKSFSLX-UHFFFAOYSA-N 393.553 2.968 0 3 GFAF OC[C@@H]1[C@H](O)C[C@H](NCc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 2356324196 HVCGTDMXMKDEAB-FUMNGEBKSA-N 387.911 2.698 0 1 GFAF Cc1c(N2C[C@H]3CCC[C@@H](N)[C@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6521011 KHOPYWWNINHNHA-RPVQJOFSSA-N 399.466 2.886 0 1 GFAF Brc1ccc(C2=NNC(c3ccncc3)=c3ccccc3=N2)cc1 104233154 RMDNWEPWZIAMIS-UHFFFAOYSA-N 377.245 2.585 0 3 GFAF COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@H]3CCNC3)c2cc1OC 59285641 GHWMQXIAILGGTF-LBPRGKRZSA-N 384.411 2.933 0 1 GFAF CCOc1ccc(C2=c3cc(OC)ccc3=NC(c3cccs3)=NN2)cc1 104233103 QPSZQMWGVYBWGW-UHFFFAOYSA-N 377.469 2.897 0 3 GFAF O[C@]1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1 117656874 PKUYPRFEWPYLAU-JOCHJYFZSA-N 389.459 2.828 0 1 GFAF CC(=O)O[C@H](C)[C@H]1CC[C@@]2(O)[C@]3(O)C[C@H](O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C 2356448434 CZFZYEPCYFVTBZ-QPJXPBBTSA-N 392.536 2.798 0 1 GFAF Cc1csc2ncnc(N3CCC(NC[C@@H](O)COc4ccccc4)CC3)c12 64548413 QXTKUULGJYJUIB-QGZVFWFLSA-N 398.532 2.998 0 1 GFAF CC[C@@H](C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@H](N)CO 14612885 BGAKAGZZLOJFNF-VQIMIIECSA-N 386.533 2.609 0 1 GFAF biogenic CC[C@]12C=CCN3CCc4c(n(c5c(OC)cccc45)[C@](O)(C(=O)OC)C1)[C@H]32 14829352 HXLJZBYCWRILKD-ILWGZMRPSA-N 382.460 2.737 0 1 GFAF biogenic COC1=NC2=C(CN1)[C@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 49113018 QLQQIVYMJUUTHZ-BLLLJJGKSA-N 381.885 2.515 0 1 GFAF CCO[C@@H]1[C@@H]2C[C@H]([C@H](C)O)[C@@H]3N1CCc1c([nH]c4ccccc14)[C@]3(C(=O)OC)C2 141564563 ZCNBXQWUBWONCS-XKIUFVLVSA-N 398.503 2.589 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)C1CC1 95599567 JPCTYBULYRPUFB-BHDDXSALSA-N 378.472 2.555 0 1 GFAF CCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95875142 RVOKLENHAKIBKK-QNWVGRARSA-N 379.504 2.910 0 1 GFAF CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCCC1 95798392 ZSECDKJMHWJAGK-WOJBJXKFSA-N 399.535 2.726 0 1 GFAF COc1cc(N)c(I)cc1-c1nc2cncc(OC)c2[nH]1 587178741 KLRIOBPLMCVVRC-UHFFFAOYSA-N 396.188 2.829 0 1 GFAF CCOC(=O)c1cc(OCC)n(-c2c[nH]cc(Br)c2=O)c1OCC 587942384 XIPIJGVGBBSYQY-UHFFFAOYSA-N 399.241 2.902 0 1 GFAF CC(C)COc1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587970587 KXUSDBPEDAEORR-CLLJXQQHSA-N 397.225 2.859 0 1 GFAF COC(=O)[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351276 TYCIGFLAQFYGPE-MDKPJZGXSA-N 385.391 2.554 0 1 GFAF Cc1cc2c(cc1O)[C@](c1ccccc1C(=O)O)(C(F)(F)F)N[C@H](C(=O)O)C2 963547504 BQFHMTPMRNLBOA-KBXCAEBGSA-N 395.333 2.804 0 1 GFAF CCCCCC[C@]1(c2ccco2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963226056 XGDGYNXSXTUCAE-HOIFWPIMSA-N 396.491 2.975 0 1 GFAF COc1ccc2c(c1)NC(=O)CN2c1nc(COC(C)=O)nc2ccccc12 1772594306 UMWQSBCDOJTTFY-UHFFFAOYSA-N 378.388 2.792 0 1 GFAF CCc1ccc2c(CC(=O)O)c(C)n(Cc3ccc(S(C)(=O)=O)cc3)c2n1 1772573898 QKTZDUXKWPIHAY-UHFFFAOYSA-N 386.473 2.986 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@@H](C)c3ccc(F)c(F)c3)nc(CO)c12 1772589207 UWXLKWRIOZBVAH-QMMMGPOBSA-N 377.351 2.620 0 1 GFAF COCCNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(OC)cc3)oc2C)C1 5044087 IYLOHDWJKQWIBF-QGZVFWFLSA-N 387.480 2.633 0 1 GFAF COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)NCc3ccco3)[C@@H]3C=C[C@H]2C3)c(OC)c1 12706250 OOWFXNSFZDCAJZ-BBNYVJOESA-N 396.443 2.990 0 1 GFAF CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169299107 UREIKWXMKSDHRU-IHSNIMORSA-N 384.457 2.520 0 1 GFAF COc1cc2c(cc1OC)[C@@H](C(=O)c1cccc(OC)c1OC)C(=O)N(C)CC2 1626113 IQEXAOHIJTWUEL-IBGZPJMESA-N 399.443 2.702 0 1 GFAF O=P(O)(O)[C@H](CCCc1cccc(Cc2ccccc2)c1)S(=O)(=O)O 40899004 RHDOOWQPCUVIDK-KRWDZBQOSA-N 384.390 2.992 0 1 GFAF COc1ccc2nc(Nc3nc4cc(N(C)C)ccc4c(=O)[nH]3)nc(C)c2c1 40913911 FHAZUXSEOQCJHK-UHFFFAOYSA-N 376.420 2.993 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C4CCCC4)CC3)cc21 40975941 SVTWYXGAUKVDLJ-UHFFFAOYSA-N 387.455 2.923 0 1 GFAF Cc1ccccc1S(=O)(=O)NC(=O)Nc1ncc(Br)s1 45390035 XOUHCSDCASEPBI-UHFFFAOYSA-N 376.257 2.724 0 1 GFAF CC(C)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN 82082309 KMNDIINHQFCRTF-AWEZNQCLSA-N 381.885 2.720 0 1 GFAF CN(C)CCCCOC(=O)CNC(=O)c1csc(Nc2ccccc2)n1 82085000 HKSDIDXNTIJHLJ-UHFFFAOYSA-N 376.482 2.502 0 1 GFAF CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C1CC1)C3 82196023 FRRFHJXEHZFRQE-UHFFFAOYSA-N 396.413 2.780 0 1 GFAF CC1(C)c2ccc(OC[C@H](O)CO)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114803086 VLHYVKUZJIVWNU-CYBMUJFWSA-N 376.412 2.642 0 1 GFAF Cc1cccc(C(=O)N[C@@]2(C(=O)O)Cc3ccc(C(=O)O)cc3C2)c1OC(C)C 167430405 NHTKSQOXJVOMKE-QFIPXVFZSA-N 397.427 2.832 0 1 GFAF CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F 216242286 PIXQLVLHKQBEDL-UHFFFAOYSA-N 384.473 2.856 0 1 GFAF CC(=O)Nc1nc(N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c2nc[nH]c2n1 653878516 SXFFUMMTCFQDSK-AWEZNQCLSA-N 396.451 2.676 0 1 GFAF CC=C1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356614492 WYNQUOUUSJZYJJ-NUJGCVRESA-N 384.476 2.823 0 1 GFAF O[C@H]1[C@H](N2CCCCC2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccc(-c2ccccc2)cc1 2356835581 KTCDNDIUPOEMCT-BAHGYDIPSA-N 394.515 2.782 0 1 GFAF CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCCN2CCC(C)CC2)C1=O 2934283 FBAHIJKVKVFTPA-IBGZPJMESA-N 387.524 2.737 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2CN(C)C)cc1 3181720 IOABODANLFEQFE-PKOBYXMFSA-N 396.553 2.994 0 3 GFAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 4040698 UWECVXKHSTXTSR-AOIWGVFYSA-N 387.505 2.793 0 1 GFAF Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2 100067711 GEVVQZHMFVFGLN-OKILXGFUSA-N 396.447 2.847 0 1 GFAF Oc1cc(Cc2cccs2)nc2nc(N3CCN(c4ccccc4)CC3)nn12 23506918 WMGYGTQMZPATSS-UHFFFAOYSA-N 392.488 2.809 0 1 GFAF COc1cc(C[C@@H]2COC(=O)C2=Cc2cc(O)c(OC)c(OC)c2)ccc1O 2356490959 AQRZXICAIIHSSY-CQSZACIVSA-N 386.400 2.923 0 1 GFAF CN(C)CCNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1 72116218 HPNHWZNCWSYZOV-UHFFFAOYSA-N 387.549 2.789 0 1 GFAF C/C1=C\C(=O)O[C@@H](C[C@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C/CC1 33954917 JDROCHDFKUSVDQ-HGTWVTABSA-N 397.537 2.938 0 1 GFAF CN(C)c1ccc(C(=O)NCC2CCN(C(=O)C(=O)c3cccs3)CC2)cc1 199720558 OIOFJABGTBYLOH-UHFFFAOYSA-N 399.516 2.665 0 3 GFAF O=C(c1cc(F)ccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](CNc1ccccn1)C2 226065078 XFESSYNYACUHDK-ZVZYQTTQSA-N 392.438 2.907 0 1 GFAF COC(=O)[C@@H]1CC(OC)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600122 LKEBGXHYJHVOPN-XXHMAFKTSA-N 382.368 2.816 0 1 GFAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587938570 XOCGSWXTYXGGJI-KPZWWZAWSA-N 389.477 2.659 0 1 GFAF COc1ccc(C[C@H]2c3cc4c(cc3CCN2C)OCO4)c(C(=O)O)c1OC 13382865 OBMCYABEWGVSQB-HNNXBMFYSA-N 385.416 2.902 0 1 GFAF biogenic,in-vitro CCCC[C@]1(CO)C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]1O 169366346 FUENFDZJVVFQJQ-NDJGRSIHSA-N 387.520 2.504 0 1 GFAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc(OS(N)(=O)=O)c1 1857592278 JOJWCXZGPJMGIO-QGZVFWFLSA-N 393.852 2.620 0 1 GFAF O=c1c(S(=O)(=O)c2ccc(Cl)cc2)c[nH]c2cc3c(cc12)OCCO3 4169915 NLCWAYLEKXNSHL-UHFFFAOYSA-N 377.805 2.786 0 1 GFAF C[C@@H]1CC(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccccc2S1(=O)=O 6806579 GSGRLYYXYCGUNR-LLVKDONJSA-N 394.399 2.502 0 3 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2cc(C(F)(F)F)no2)s1 7005411 JZYYSQAABGUMJI-MRVPVSSYSA-N 382.385 2.879 0 1 GFAF c1cc2c(cc1O[C@H]1OC[C@@H]3[C@@H](Oc4ccc5c(c4)OCO5)OC[C@H]13)OCO2 105436508 XFIZIOXWCHEWOX-AFHBHXEDSA-N 386.356 2.547 0 1 GFAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNC1CCOCC1 2356408989 VBTFHSQADAKFMH-QKNQBKEWSA-N 390.455 2.700 0 1 GFAF CN1CCN(C/C=C2\c3ccccc3COc3ccc(CC(=O)O)cc32)CC1 26176535 RQGCVDOEMFUXJT-DNTJNYDQSA-N 378.472 2.885 0 1 GFAF CC(C)C(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356527966 MRZVSQHCBLKLKZ-LNLFQRSKSA-N 376.428 2.704 0 1 GFAF COc1c(N2C[C@H](C)O[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 29123139 LAKKYQZZALPWFA-PHIMTYICSA-N 390.411 2.796 0 1 GFAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccc(C)cn1)C(C)C 34886883 AMPUUHFRILVRDV-WBVHZDCISA-N 378.473 2.759 0 1 GFAF in-vitro NC(=O)c1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)n1 212144723 XEHKYMIFENSONM-UHFFFAOYSA-N 380.383 2.814 0 1 GFAF COc1ccc(CNC(=O)Nc2nc3ccc(-c4nnn[nH]4)cc3s2)cc1 72182485 AYGDBNIQKVIIGQ-UHFFFAOYSA-N 381.421 2.807 0 1 GFAF CC(C)n1cc(-c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cnc2N)nn1 143857957 JSPYSTIFXJPFMV-UHFFFAOYSA-N 392.463 2.643 0 1 GFAF COC1CCC2(CC1)Cc1ccc(OCCC3CC3)cc1[C@]21N=C(N)N(C)C1=O 141150904 BUCFOFLBQLCAHZ-JTPBLVHTSA-N 397.519 2.979 0 1 GFAF COC(=O)N1c2ccccc2[C@]23CCN4C(=O)C=C[C@]45CC[C@]12[C@@H](C5)C(=O)C3 238742230 UKWWZPHRSRXCPF-NRVXSKMLSA-N 378.428 2.563 0 1 GFAF O[C@H]1CCN(c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)C1 146087771 PGUZAYBNKSHWFJ-MELADBBJSA-N 383.477 2.679 0 1 GFAF O=C(O)[C@@H]1CCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144798816 DKYZGTLLMZKLHJ-MAUKXSAKSA-N 377.318 2.764 0 1 GFAF CN(C)[C@H]1CCN(c2c(NC(=O)c3ccccc3)cnn2C)CC(F)(F)C1 473135076 FKWUOKYXHVFNJS-HNNXBMFYSA-N 377.439 2.838 0 1 GFAF O=S(=O)(NCCc1nc2cc(F)cnc2[nH]1)c1c(Cl)cccc1Cl 586943505 ZAXASVAABTYIAX-UHFFFAOYSA-N 389.239 2.925 0 1 GFAF O=C1c2ccccc2-c2c(CCNS(=O)(=O)C3CC3)cnc3ccc(O)c1c23 586994171 OGFQSOQILVCCOQ-UHFFFAOYSA-N 394.452 2.776 0 1 GFAF COC(=O)c1ccnc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c12 587039195 QYQIIVUHWLPIPN-UHFFFAOYSA-N 376.398 2.610 0 1 GFAF CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12NCCc1c2sc(C)c1C 963009275 LDDUILYNWNPYLQ-AVRDEDQJSA-N 398.528 2.928 0 1 GFAF O=C(O)c1cc(Br)cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962891122 CBNBDXNQQUNLMG-LSDHHAIUSA-N 394.196 2.975 0 1 GFAF CNc1nc(C[C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ns1 962978496 RLUGNGUMJIBMCL-PSLIRLAXSA-N 388.827 2.568 0 1 GFAF O=C(c1ccc(Cl)cc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1 169312435 HUXOMFVVOABTMK-UHFFFAOYSA-N 392.850 2.893 0 1 GFAF COc1ccccc1N1CCN(c2nc(O)c3c(n2)CCC(F)(F)C3)CC1 1857574304 DKYAMBSWXNVNIR-UHFFFAOYSA-N 376.407 2.641 0 1 GFAF CC(C)c1cn2cccc(C(=O)NCC3[C@@H]4CN(C5CCOCC5)C[C@@H]34)c2n1 1857644096 MFSOMEXJBQJRFZ-OALUTQOASA-N 382.508 2.544 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC=C2C1=CC(=O)OC1 2356408325 CFKJENQZESXSLH-PBVLVACNSA-N 388.504 2.639 0 1 GFAF Brc1ccc2c(c1)=C(c1cccs1)NN=C(c1cccnc1)N=2 103840169 RKMSXTBEHSWCHP-UHFFFAOYSA-N 383.274 2.647 0 3 GFAF N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2)C(=O)O 28528452 UWHHZYOBBZGRIH-HNNXBMFYSA-N 375.222 2.761 0 1 GFAF O=C(CNC(=O)c1ccccc1)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28379822 CBZXZIVYCMVKTD-IBGZPJMESA-N 385.895 2.851 0 1 GFAF O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C3Cc4ccccc4C3)[C@@H]2C1 26148358 NEGVZYCQCRRXQS-HFAVHAPKSA-N 398.499 2.753 0 1 GFAF COc1cc(C=C2NC(=O)c3c2ccc2c3OCO2)c(CCN(C)C)cc1OC 2356597418 HAJRBXQNVTZIIF-UHFFFAOYSA-N 396.443 2.778 0 1 GFAF COC1=C2C=CO[C]2Nc2c1ccc(OC[C@@H](OC(C)=O)C(C)(C)O)c2OC 2356821876 MVYQDXFIOGBNIF-OAHLLOKOSA-N 390.412 2.593 0 1 GFAF N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1 64548955 KGZXBIKBYHLVNP-GOSISDBHSA-N 395.894 2.502 0 1 GFAF CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NC2CC2)C1 61921540 ASWXJHUUFVETPX-GOSISDBHSA-N 397.519 2.846 0 3 GFAF [O-][n+]1nc2c(I)cnn2c2cc(-c3ccsc3)ccc21 71281971 YSDIMNAGSGUUBA-UHFFFAOYSA-N 394.197 2.849 0 1 GFAF COc1cc(C[C@@H]2COC[C@H]2[C@@H](O)c2cc(OC)c(O)c(OC)c2)ccc1O 14916887 XYTZIYNRZGBMDA-SXGZJXTBSA-N 390.432 2.662 0 1 GFAF biogenic O=C1OC2(CCC(C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21 45350758 LKMBZBSOJLVTSZ-UHFFFAOYSA-N 389.415 2.857 0 1 GFAF CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C(C)C)N2 82206652 QWSKLHGZOKTGNQ-SFHVURJKSA-N 392.459 2.620 0 1 GFAF COc1cc2nc(N3CCSCC3)nc(NC[C@@H]3CCCO3)c2cc1OC 82119612 FQEJECLUTIEZTM-ZDUSSCGKSA-N 390.509 2.791 0 1 GFAF C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211434 IDDBTRZRHMVBKE-CQSZACIVSA-N 380.423 2.796 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O 95693053 AZDABJQXNZGANX-VCBZYWHSSA-N 391.512 2.519 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@H]1n1cnc2ncnc(Cl)c21 95559133 XOZFCRHBRSHVJP-UFBFGSQYSA-N 389.790 2.615 0 1 GFAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCC[C@@H]1C1CCCCC1 618014956 PGDIXKOLJRMQDQ-OQKHSGFDSA-N 384.524 2.766 0 1 GFAF COC(=O)c1ccnc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 587147850 CEXAJLKMLKCHHX-LLVKDONJSA-N 386.358 2.539 0 1 GFAF O=C1c2ccc(O)cc2O[C@]2(CN=CNc3[nH]cnc32)[C@@H]1c1ccc(F)cc1 587346308 LVSZIJPTZFSPTR-OXQOHEQNSA-N 378.363 2.963 0 1 GFAF O=C(CSc1ccncc1)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 11913144 MCCCGUZGRRGJPJ-MRXNPFEDSA-N 378.457 2.751 0 1 GFAF O=C(/C=C/c1cccc(O)c1)NCCCCNC(=O)/C=C/c1cccc(O)c1 1857618628 JREMJUVDBPVRNR-WGDLNXRISA-N 380.444 2.837 0 1 GFAF Cc1ccccc1CN1CCCN(c2cnnc(O)c2Br)CC1 1857621202 IBNFCHXPAHFOAX-UHFFFAOYSA-N 377.286 2.965 0 1 GFAF O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CCN1 1857652105 HFGGBIZMHAEDRI-UHFFFAOYSA-N 381.867 2.859 0 1 GFAF COc1ccc(-n2nnc(C(=O)O)c2-c2cc(OC)c(OC)c(OC)c2)cc1 103230349 OXFHSVYQNFVGTK-UHFFFAOYSA-N 385.376 2.667 0 1 GFAF Nc1cc(C(=O)N2CCCCC2)cn2nc(-c3ccc(Br)o3)nc12 26983117 SABQIWHZZCNQTM-UHFFFAOYSA-N 390.241 2.960 0 1 GFAF COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](N(C)C)c1cc(=O)c(OC)ccc12 27714665 PJBSGYGSQRXHOS-LRQRDZAKSA-N 387.476 2.779 0 1 GFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]3C)n1 218862022 IQKKFYUURGEICP-MRVPVSSYSA-N 376.392 2.600 0 1 GFAF CC(C)(O)[C@@H]1CC[C@](C)([C@@H](O)COc2c3ccoc3cc3oc(=O)ccc23)O1 15215415 URTUKYUOMNRDDS-XGHQBKJUSA-N 388.416 2.988 0 1 GFAF biogenic COc1ccc(N)cc1CN1CCN(c2ncc(Cc3ccccc3)cn2)CC1 198922288 JCUFRRIIACAJMS-UHFFFAOYSA-N 389.503 2.980 0 3 GFAF COc1cc2c(c(CO)c1OC)CN1CCc3cc4c(c(OC)c3[C@H]1C2)OCO4 238772291 ABAWIEDHIACBTL-MRXNPFEDSA-N 399.443 2.589 0 1 GFAF COc1cccc(CN2[C@@H](CO)[C@H](c3ccccc3)C23CN(C(=O)C2CC2)C3)c1 95668458 ACLBXTRLCZDZIR-VXKWHMMOSA-N 392.499 2.647 0 1 GFAF CCc1[nH]c2nc(Sc3cncnc3)nc(N3C[C@H]4[C@@H](N)[C@H]4C3)c2c1Cl 263620850 OOKWYXHTSPTWDS-WDAIWFPHSA-N 387.900 2.508 0 1 GFAF in-vitro Cc1c(O)c2ccccc2c2c1sc(=NCCCN1CCN(C)CC1)n2C 377640473 MENKDXKIGJOLSE-UHFFFAOYSA-N 384.549 2.945 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3[C@H](C(=O)O)NC[C@@H]32)N1 587791065 FDVMAJMBLZMWCT-JDQRDGIGSA-N 397.288 2.790 0 1 GFAF CN1CCN(c2ccc3nc(-c4cnc(-c5cnn(C)c5)s4)[nH]c3c2)CC1 587022500 ZVDFQBBIQRKXAT-UHFFFAOYSA-N 379.493 2.839 0 1 GFAF COC1=COC(C(=O)O)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587832866 LHBWLKITEUREEI-ZKANADHPSA-N 384.201 2.804 0 1 GFAF COc1cc(OC)nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587586607 IUXXCVDBYNEAQH-VQIMIIECSA-N 380.356 2.902 0 1 GFAF Cc1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074355 TVCNXFDEPHWLPD-UHFFFAOYSA-N 391.826 2.807 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1ccc(OCC(=O)N(C)C)cc1 963610182 OJXUGSZOWLRHHW-NPMXOYFQSA-N 398.503 2.969 0 1 GFAF CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 5070371 AMODCMJMLGQORR-JENIJYKNSA-N 388.508 2.966 0 1 GFAF NCc1cc(O[C@H]2CCCN(C(=O)c3cccnc3)C2)nc(C(F)(F)F)c1 1857615325 RWQJLIWMOBYOTI-AWEZNQCLSA-N 380.370 2.638 0 1 GFAF O=C(NC[C@@H]1CN(c2ccc(N3CCCC3=O)cc2)C(=O)O1)c1cccs1 59549965 XVEMBZCTWXFDEQ-OAHLLOKOSA-N 385.445 2.630 0 1 GFAF COc1cc(OC)cc(C(=O)N[C@@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)c1 28461263 XLIPASJDQJMNCS-QGZVFWFLSA-N 398.459 2.827 0 1 GFAF Cc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 104100883 UKNSGMJWDOMSSR-MRXNPFEDSA-N 385.423 2.941 0 1 GFAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C[C@]3(O)OC(=O)C=C3[C@]2(C)O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356461848 WIHSWORKGXEYFX-XINFIADLSA-N 392.492 2.713 0 1 GFAF CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccc[nH]2)C(=O)O)cc1 66073906 JUSXMMIZLOQHAZ-KRWDZBQOSA-N 395.419 2.640 0 1 GFAF CC(=O)O[C@@H]1C[C@H](C)Cc2ccc(C)c(C=C[C@H](O)C[C@H](O)CC(=O)O)c21 2356691243 CFHKAMNUJQAFGO-VIXHLQAQSA-N 376.449 2.781 0 1 GFAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(F)cc4)oc23)[C@H](O)C1 141090749 GBTFAVMORZGOBX-SUMWQHHRSA-N 385.391 2.790 0 1 GFAF CCCNC(=O)N1[C@H](CNC(C)=O)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO 95895609 XKSXBKSIMCJEBG-FSSWDIPSSA-N 395.503 2.738 0 1 GFAF C/N=c1\c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c(O)oc2ccccc12 617997451 FNJAWNOWQCZZMU-GYXJVLCKSA-N 391.427 2.969 0 1 GFAF Cc1cc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2cc1C 587180364 PFOKUVIDUFMTKA-UHFFFAOYSA-N 396.188 2.883 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1)CC2=O 587482714 VDHTWOJMPNFZIK-RWCMSOCESA-N 390.432 2.811 0 1 GFAF Cc1nc(CNC(=O)OC(C)(C)C)ccc1-c1ccc2c(O)nc(O)nc2n1 587555812 SRZIQWIMMBLFFW-UHFFFAOYSA-N 383.408 2.831 0 1 GFAF CN(Cc1cc[nH]n1)C(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11663952 IQTYFCZCQXOMCJ-AWEZNQCLSA-N 394.397 2.826 0 3 GFAF Cc1n[nH]c(C)c1CN(C)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11708202 CXBYWIFYVNRLEL-KRWDZBQOSA-N 386.471 2.605 0 3 GFAF CCOC(=O)CCNC(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 14887091 YKGOMYKIGXPPJA-HSZRJFAPSA-N 396.487 2.881 0 1 GFAF Cc1ccc([C@H](Nc2c(Nc3ccc[nH]c3=O)c(=O)c2=O)[C@@H]2CCCS2)o1 207395219 XETXTFIIXKTWPQ-KBPBESRZSA-N 385.445 2.665 0 1 GFAF Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCN(C(=O)c4ccon4)CC3)nc21 208802780 FDHXJEBTZNNZLV-UHFFFAOYSA-N 397.479 2.789 0 1 GFAF COCCOc1n[nH]c2cc(NC(=O)NCc3ccc(Cl)cc3)ncc12 209379123 OHHUJDUSTYEJLG-UHFFFAOYSA-N 375.816 2.958 0 1 GFAF COc1cc(NCc2cc3cc(Cl)ccc3n(C)c2=O)ccc1-n1cnnn1 1857590154 ZYRBLUKZNNSUGM-UHFFFAOYSA-N 396.838 2.788 0 1 GFAF CCc1c(-c2ccc3c(c2)cc(CNC(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O 142730810 BTPRAKQDJRUIOG-UHFFFAOYSA-N 383.448 2.998 0 1 GFAF COc1cc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)ccc1F 592944 KKSVTGPVQOIRKT-UHFFFAOYSA-N 381.816 2.988 0 1 GFAF CC[C@@H](C)NC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O 6807969 LBDMUFUTCCEDRN-CYBMUJFWSA-N 384.455 2.917 0 1 GFAF CCOc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1 13449347 UFHCMLOWPCFQMX-UHFFFAOYSA-N 396.535 2.868 0 1 GFAF COCCc1n(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C 13651159 XVXBICDHKJQEJE-OAQYLSRUSA-N 391.491 2.803 0 1 GFAF CCO[C@H](Cc1ccc(OCCN2CC=C(c3ncccn3)CC2)cc1)C(=O)O 40422122 USOMNPQLEODMFJ-HXUWFJFHSA-N 397.475 2.677 0 1 GFAF O[C@@](Cn1cncn1)(Cn1nnc2cc(Cl)ccc21)c1ccc(F)cc1F 49808324 BFNAGQZRDWVRHH-KRWDZBQOSA-N 390.781 2.542 0 1 GFAF COc1ccc2c(c1)Sc1ccccc1N2NC(=O)CCN1CCN(C)CC1 73142095 NKDXKDSKOXRNRM-UHFFFAOYSA-N 398.532 2.967 0 1 GFAF C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211476 PJHLSPHMEXRTMP-CYBMUJFWSA-N 398.413 2.935 0 1 GFAF COC(=O)[C@H]1CCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144794355 JORMIHJZEPKANO-VQIMIIECSA-N 391.345 2.853 0 1 GFAF Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)n(C)n1 206093664 LOTNRMIDRONWNB-UHFFFAOYSA-N 390.494 2.515 0 1 GFAF C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255261000 QJPCKAJTLHDNCS-WKCPKMRMSA-N 390.520 2.719 0 1 GFAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CC3OCCO3)[nH]c2c1 586909366 XNRWIXFQKJHCGF-UHFFFAOYSA-N 393.852 2.933 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)ncnc3[nH]2)C[C@H]2CCCC[C@H]21 586957774 DZOFBAMIRVZGNQ-YUELXQCFSA-N 399.476 2.753 0 1 GFAF COC(=O)C[C@]1(O)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989902 AIZNMIFENKVUHQ-QHCPKHFHSA-N 389.407 2.935 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cc(F)cnc3OC)nc2c1 587176055 KTLAWTWEMUWYID-UHFFFAOYSA-N 378.429 2.803 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@]1(CC(N)=O)C(=O)O)CC2=O 587468380 FZDCQEFHVLZDLN-PMACEKPBSA-N 375.421 2.569 0 1 GFAF CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(CC4CCOCC4)C[C@H]23)c2ccccn12 653792895 BTPYWLNGWXJQDI-LDLYASANSA-N 396.535 2.792 0 1 GFAF COc1ccc2c(c1OC)[C@@](C)(c1ccccc1OCC(N)=O)N(C)[C@@H](C)C2 962635303 RIBGTOXAQNYHKA-RCDICMHDSA-N 384.476 2.708 0 1 GFAF NC1=COc2ccccc2[C@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962669684 QBYPEWMWCSTUGU-DHIUTWEWSA-N 387.439 2.770 0 1 GFAF Cc1c2c(nn1C)[C@](c1ccncc1)(c1cccc(Cl)c1)N[C@@H](C(=O)O)C2 962704918 DTFVARTUTFABKA-XLIONFOSSA-N 382.851 2.668 0 1 GFAF CCOC(=O)[C@H](C)[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962911207 YZUNVICECDNUBC-LLJZQGTPSA-N 377.437 2.929 0 1 GFAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@H]3CCc4cnn(C)c4C3)nc12 1857637114 MHMUQRPVYRIHGN-INIZCTEOSA-N 376.439 2.969 0 1 GFAF CC[C@H](C)C(=O)OC(C)(C)[C@@H]1O[C@@H]2C=Cc3ccc(=O)oc3[C@H]2[C@H]1OC(C)=O 2356652164 RGWXVYCMAYKPRS-VXLGAMLZSA-N 390.432 2.817 0 1 GFAF O=C(N[C@@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1)c1cccs1 2356829573 IZYRNZQVVFLTBI-RISCZKNCSA-N 389.864 2.757 0 1 GFAF COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cscn3)C2)CC1 61969848 JWAMHIZLWHNYJS-MRXNPFEDSA-N 386.521 2.579 0 3 GFAF Nc1nc(N)c2nc(CN3c4ccccc4S[C@@H]4C=CC=C[C@H]43)cnc2n1 58655374 PIZFEXJPPUNUID-TZMCWYRMSA-N 375.461 2.560 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 2356655217 BMPRGPGLZWJNOP-DLRUHTQUSA-N 378.465 2.897 0 1 GFAF COc1cc(C=CC(=O)NCC(=O)c2c[nH]c3ccc(O)cc23)cc(OC)c1O 2356661021 QAOPXDWEBPYEBK-UHFFFAOYSA-N 396.399 2.609 0 1 GFAF COC(=O)C1=C(OC)C(=O)O[C@@H]1c1c(Cl)c2cc(Cl)ccc2oc1=O 1911580387 HAUKRPPCFIAKIS-GFCCVEGCSA-N 385.155 2.771 0 1 GFAF COc1c2c(nn1C)C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 220221480 ZLFZRGHIIRSEBW-QGZVFWFLSA-N 398.850 2.839 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2cccs2)CC1)c1c[nH]c2cccc(F)c12 45255744 ICDXGHPNCSSAFK-UHFFFAOYSA-N 385.420 2.536 0 1 GFAF COc1ccc([C@H]2NC(=O)C3=C(N2)N(c2ccccc2)C(=O)N2CCC[C@H]32)cc1 45259280 DECVRVFTPMBVQD-IEBWSBKVSA-N 390.443 2.729 0 1 GFAF CCN(C)c1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccco2)n1 82142773 BOHWMHXDHUEQTC-UHFFFAOYSA-N 380.404 2.851 0 1 GFAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC[C@@H](CO)C1 143329841 YVTKRVLITNHGEM-BLVKFPJESA-N 377.362 2.920 0 1 GFAF CCC(=O)N1[C@H](CNC(C)=O)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95895531 VHZPWRJIRZNYCG-RZUBCFFCSA-N 384.451 2.694 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CCN(C)CC1 95665993 AGCUSOUWAWFZFG-IBGZPJMESA-N 397.519 2.816 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 586946585 MIJBASXUBMZRGN-GFCCVEGCSA-N 392.868 2.736 0 1 GFAF O=C1COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2N1 587591456 CLTGJZQCPAHZIL-XLIONFOSSA-N 390.351 2.821 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1csc(=N)[nH]1)CC2=O 587492197 BHOCIQCWQLCNDE-SFHVURJKSA-N 376.434 2.638 0 1 GFAF O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccncc1 13589871 KQUHMQKFGHCLNU-IBGZPJMESA-N 389.411 2.760 0 1 GFAF CCn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1 205259359 GKVMUEOQUFVJNA-UHFFFAOYSA-N 388.479 2.703 0 1 GFAF COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1C 4144806 JTYFUNWYLQZNBQ-KUUHDYPXSA-N 389.496 2.996 0 1 GFAF CNC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN 28950219 HYMSRFJJDZEUKU-UHFFFAOYSA-N 380.326 2.736 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(CCc3ccc(F)cc3)C2=O)cn1 115731086 AUROVVWMYRRKTO-UHFFFAOYSA-N 397.410 2.687 0 1 GFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)NCC2CCOCC2)O3)cc1 61904818 IOZIUPSWGKTCJC-FQEVSTJZSA-N 395.459 2.553 0 3 GFAF CC[C@@H]1CN2CC[C@]3(Nc4ccccc4C3=O)[C@@H]2C[C@@H]1C(=COC)C(=O)OC 2356507283 ZGFZEUQTWZGDLW-UQJUHCJGSA-N 384.476 2.857 0 1 GFAF CO[C@@H]1OC(=O)[C@H](c2ccc(O)cc2)[C@H]1Cc1ccc2c(c1)C[C@@H](C(C)(C)O)O2 2356713264 CQGQUEUOOGWKAW-UGGKCQTMSA-N 398.455 2.938 0 1 GFAF C[C@@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)c3cccc(F)c3)CCN2C1=O 5434126 LXCTXOCCOXCVMY-KSSFIOAISA-N 381.407 2.676 0 1 GFAF biogenic CN1CCN(c2cccc(Nc3nn4c(=O)c5ccccc5nc4s3)c2)CC1 36382615 ZYLHHIZZHPCILW-UHFFFAOYSA-N 392.488 2.800 0 1 GFAF CC[C@@H](C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO 14612883 BGAKAGZZLOJFNF-APWZRJJASA-N 386.533 2.609 0 1 GFAF biogenic C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)c3ccccc3)C23CN(C(C)=O)C3)cc1 95871980 QUMZEVBEPXTPSY-XNDWAXEZSA-N 390.483 2.921 0 1 GFAF COc1ccccc1COC(=O)[C@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@@H]12 377814350 GYNABIOBELLOFX-SUMWQHHRSA-N 387.803 2.769 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 299873049 FLMSQRUGSHIKCT-YVRCYKNQSA-N 390.520 2.575 0 1 GFAF O=C(O)O[C@@H](C[C@H](O)/C=C/c1ccccc1)C[C@@H](O)C[C@H]1CC=CC(=O)O1 653739134 DLMKRSWKGVATFB-TWOVCHGWSA-N 376.405 2.527 0 1 GFAF COC(OC)[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573851 USCOBWAGTJRPEW-GFUVSLDZSA-N 385.416 2.787 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1nc(C(=O)OC)n[nH]1)CC2=O 587469803 FYSNVZCGUQSDBN-INIZCTEOSA-N 396.403 2.747 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCC(N)=O)c1)CC2=O 587469070 HQJBIZHGEMGXJJ-GOSISDBHSA-N 385.416 2.924 0 1 GFAF CCOC(=O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590272 SCFBTDNIADZADD-HNAYVOBHSA-N 380.356 2.995 0 1 GFAF CCO[C@@H]1OC(C(N)=O)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO 13656521 HYKLJHBXUOUBPA-CKEIUWERSA-N 384.270 2.683 0 3 GFAF N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1F 14948268 ANQHSFFUNMTTRS-MOPGFXCFSA-N 383.467 2.507 0 1 GFAF in-vivo CCN1CCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1 19528013 BGAZRVSACKQUFI-GOSISDBHSA-N 386.500 2.649 0 3 GFAF CNc1nc(Nc2cc(F)c(-c3nnnn3C)cc2OC)ncc1C(F)(F)F 169704337 KJLGBLAAUSSAJS-UHFFFAOYSA-N 398.324 2.619 0 1 GFAF COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c(OC)c1 4081151 TVCDOYUDGDPEJK-CTNGQTDRSA-N 397.475 2.950 0 1 GFAF O=Cc1ccccc1-c1cccn([C@H](CN2CC[C@@H](O)C2)c2ccccc2)c1=O 13488488 RCERLLBHZQVWIV-NFBKMPQASA-N 388.467 2.984 0 1 GFAF COc1ccccc1CNc1nc(N2CCC[C@@H]2CO)nc2c1ncn2C(C)C 13834645 WMXQUPLTFMNUFT-MRXNPFEDSA-N 396.495 2.989 0 1 GFAF Fc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCc5ccco5)CO[C@@H]34)n2)c1 25435668 MSIFKHQSZKZPQE-NMLBUPMWSA-N 396.422 2.612 0 1 GFAF biogenic CNc1nc2cc(-c3cccc(CCNCC(N)=O)c3)sc2n2c(C)cnc12 28950776 WONYOHLOECXBDY-UHFFFAOYSA-N 394.504 2.579 0 1 GFAF O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4cccs4)cc3)c2[nH]1 40413540 MVOOXCFBNPHIMZ-UHFFFAOYSA-N 388.430 2.906 0 1 GFAF Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 40900136 NZIJRFICRMNCGN-RHSMWYFYSA-N 380.510 2.781 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OC[C@H]2CCCN2C)co1 82073482 MTRJEOYDZHOHHM-VQIMIIECSA-N 397.475 2.892 0 1 GFAF NS(=O)(=O)c1cccc(-n2nc(CO)cc2-c2ccc3ccccc3c2)c1 95591076 AUOCTKBTMUGTFR-UHFFFAOYSA-N 379.441 2.832 0 1 GFAF CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-n3cncn3)c2)ncn1 144633797 BSWLEIRBUPJETH-UHFFFAOYSA-N 377.452 2.936 0 1 GFAF Cn1cc(-c2cc3c(-c4cccc(N5CCCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1 205254307 GZYQOEDEZRBOFO-OAHLLOKOSA-N 388.479 2.738 0 1 GFAF C=Cc1c(N)ncnc1N1CCN([C@@H](CN)c2ccc(C(F)(F)F)cc2)CC1 206938208 CRRPJTULCQOFOC-INIZCTEOSA-N 392.429 2.543 0 1 GFAF N=c1[nH]cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc-2[nH]1 587057066 NSHJLULMHADTPC-UHFFFAOYSA-N 387.230 2.901 0 1 GFAF Fc1ccc(-n2nnc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2C2CC2)cc1 587168254 HCTXYQRUSDLZOZ-UHFFFAOYSA-N 387.382 2.803 0 1 GFAF C[C@@]1(c2cnc(C(=O)O)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585789 GHHXUMWZFOLDPH-JXFKEZNVSA-N 378.340 2.757 0 1 GFAF COc1cnc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)nc1 963180612 NOLIMWRLXDRYNB-CHWSQXEVSA-N 387.745 2.846 0 1 GFAF Cc1nc([C@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@H](C)O)n1 1772610057 KJNPQKXNYILKNS-TUKIKUTGSA-N 389.463 2.885 0 1 GFAF O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(-c3cnccn3)n2)C1 1772619119 FPWBVHPXYKIJOM-UHFFFAOYSA-N 395.263 2.691 0 1 GFAF O=C(NC[C@H]1CCCO1)c1onc(CSc2ccccc2F)c1C(=O)O 8691348 OXSQJMMJDJKGLR-SNVBAGLBSA-N 380.397 2.713 0 3 GFAF O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3c(=O)n2-c2ncccc21 61921439 ZMIAAKXFISUVOD-SFHVURJKSA-N 384.395 2.514 0 3 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1CC2=CC[C@H]1[C@]3(C)CC[C@H](O)[C@@]1(C)CO 2356367142 WXHHJRNXCOMIHI-UKUMXFBISA-N 378.509 2.577 0 1 GFAF O=C(Nc1ccccc1CO)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4163940 DMNBECYCCSWFJE-LOHFZDIYSA-N 388.423 2.743 0 1 GFAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCOCCO 4213635 RNEIXQNGCLCKKE-WOJBJXKFSA-N 392.496 2.834 0 1 GFAF Cc1cc(=O)n(C(=O)OC(C)(C)C)c2c3c(ccc12)OC(C)(C)[C@H](O)[C@@H]3O 6521487 AFVUFPACJOSAJM-IAGOWNOFSA-N 375.421 2.658 0 1 GFAF C[C@@H]1CNC(c2ccc(-c3nnc(-c4ccc(C5=N[C@H](C)CN5)cc4)o3)cc2)=N1 27651722 JEJDYPYCWLLMFV-ZIAGYGMSSA-N 386.459 2.880 0 1 GFAF CC(C)N(CCO)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 82232164 BZOKFNGYQXOXEJ-UHFFFAOYSA-N 384.505 2.959 0 1 GFAF CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C(=O)NC(C)C)C1CCCC1 95895748 FQHHBQGTLDJKSJ-PCCBWWKXSA-N 387.524 2.724 0 1 GFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 586927173 VBWDOVDGAZRVCA-UHFFFAOYSA-N 381.816 2.969 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(n2)NC(=O)CO3)N1 587798296 ZTPKFXXTDVUVGH-BCTVWOGZSA-N 392.228 2.938 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(c4cccc5nc(O)n(c45)CC[C@H]1N=O)[C@@H](C2)C3=O 587435949 KVCJKWTYJDGRGE-QSZISKGPSA-N 391.383 2.932 0 1 GFAF CN(Cc1nc2ccc(CCO)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928893 NPCOOYFHEYVYOZ-UHFFFAOYSA-N 379.869 2.572 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cc(O)nc(O)n1 587862151 FUUBVVNZRXUPCS-UHFFFAOYSA-N 394.309 2.662 0 1 GFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(C(=O)O)c2[nH]1 586965634 UDGXWYRSMIBVCS-UHFFFAOYSA-N 397.464 2.718 0 1 GFAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)nc(S)nc2[nH]1 587111915 BZMMURCTMGHKCL-OAHLLOKOSA-N 397.382 2.766 0 1 GFAF O=C1Nc2cccc3c2[C@]1(CCCCN1CCN(c2ncccn2)CC1)CCC3 13473696 BYXJWMSTONFNEX-QHCPKHFHSA-N 391.519 2.995 0 1 GFAF CCNC[C@@H]1CCN(c2cc3c(c(C)c2F)c(=O)c(C(=O)O)cn3CC)C1 13649741 AOWOXYYUPIDXLF-ZDUSSCGKSA-N 375.444 2.603 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2CC[C@@H]1[C@](C)(C(=O)O)[C@@H](O)CC[C@@]13C 2356323923 FRMDUQCTSZKXQF-XQZOPLABSA-N 392.492 2.669 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cc(F)c(F)cc12 3591449 PJSJKUFZUZWDDS-UHFFFAOYSA-N 397.381 2.613 0 1 GFAF O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1nc(Cl)c2ccccc2c1O 6716885 CMRBZAGEXPEKDW-CQSZACIVSA-N 386.791 2.725 0 1 GFAF COc1cccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 106551965 BQNMLUSOHBPLEA-MOPGFXCFSA-N 390.395 2.835 0 1 GFAF O=C(O)Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccc(F)cc1)C2 103238013 YUGLRLSRVTUOPC-UHFFFAOYSA-N 379.391 2.972 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)O[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](CO)(C4)C3)C1 101371146 OMHBDFLGWZXMSG-LQKOXFQCSA-N 394.512 2.909 0 1 GFAF Cc1cc(NC(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)no1 20105444 XLEOUWAHWNEMJQ-UHFFFAOYSA-N 385.767 2.640 0 1 GFAF O=C1[C@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc2N1C1CCNCC1 27843502 JURAMDVFIYNCNX-IBGZPJMESA-N 387.842 2.734 0 1 GFAF CCOc1cc(C(N)=O)c2ncnc(N[C@@H](CN(C)C)c3cccc(F)c3)c2c1 114345382 GWUYLDMVDQHMJN-SFHVURJKSA-N 397.454 2.981 0 1 GFAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccnc4C(F)(F)F)C[C@@H]32)n1 116825597 LJZIGRNYUYTLML-ZFWWWQNUSA-N 391.397 2.858 0 1 GFAF COc1ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c2c1C[C@@H](C(C)(C)O)O2 2356541947 RMTZLMXSFDXFBI-DYVFJYSZSA-N 386.400 2.540 0 1 GFAF COc1ccc(S(=O)(=O)N(Cc2cccnc2F)[C@@H](C(=O)O)C(C)C)cc1 28865135 SZTBUYMVXLGMJO-MRXNPFEDSA-N 396.440 2.529 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)C2=C1C[C@@H]1C(=CO[C@H]3C=C(C)C(=O)O3)C(=O)O[C@@H]21 2356706287 AOHYMVJOAOUQHB-HALQFCHDSA-N 388.416 2.710 0 1 GFAF CCCCCC(=O)O[C@@H]1C=C2[C@H](OC)OC[C@]2(O)[C@]2(C)[C@@H](O)CCC(C)(C)[C@@H]12 2356870290 XPKRYPSOFXPZSA-SWEMOBDSSA-N 396.524 2.956 0 1 GFAF CS[C@@H]1C[C@@H](C(=O)O)N(C(=O)C[P@](=O)(O)CCCCc2ccccc2)C1 40640583 JYQRBOCGMCVLMP-CVEARBPZSA-N 399.449 2.697 0 1 GFAF CN[C@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 143345842 VZSIGWGZEMFECR-ORAYPTAESA-N 376.378 2.899 0 1 GFAF [O-][n+]1ccccc1SCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586969187 HJRGVCOQHZZIOC-UHFFFAOYSA-N 380.433 2.548 0 1 GFAF COc1cc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143966 OLQVCZNKVZKNCL-UHFFFAOYSA-N 395.350 2.651 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587610147 PGSDPVDPRKIEQZ-LFRPXUGBSA-N 384.384 2.692 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(Cl)ncnc4[nH]3)CC2)cc1 586954768 ILUVVQRHRIDWLC-UHFFFAOYSA-N 391.884 2.883 0 1 GFAF Nc1ncnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 586961469 RPMCRUOKJWSYPZ-QEJZJMRPSA-N 398.492 2.630 0 1 GFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587259114 DKMJIKDDHWOEBB-MAUKXSAKSA-N 396.451 2.993 0 1 GFAF O=C(c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1)N1CCN(CCO)CC1 587025419 KPMZSHYQGGPVPH-DAFODLJHSA-N 382.489 2.545 0 1 GFAF O=C1C[C@@H](c2cnn([C@H]3CCS(=O)(=O)C3)c2)Oc2c1ccc1c2CCCC1 587529571 ADXHYVLPVVWQOZ-KXBFYZLASA-N 386.473 2.828 0 1 GFAF O=S(=O)(Nc1ccsc1-c1nc2c(O)ncnc2[nH]1)c1ccc(F)cc1 587170663 TZEOKNQRLNBKKQ-UHFFFAOYSA-N 391.409 2.727 0 1 GFAF CCn1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(=O)c2ccc(C)nc21 587655256 YLZJJNKPDAKZJM-UHFFFAOYSA-N 394.818 2.777 0 1 GFAF COc1cc2c(cc1OC)CN(c1ncnn3c(C)nc([C@H]4CCOC4)c13)CC2 169711816 RTEWOCSPWMDMSY-HNNXBMFYSA-N 395.463 2.517 0 1 GFAF CC(C)C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C(N)=O 166953767 ZOPQPIILBGPSHF-IBGZPJMESA-N 394.475 2.864 0 1 GFAF O=P(O)(O)C(Nc1cccc(-c2ccc(F)c(F)c2)c1)P(=O)(O)O 13673766 XMPAXMHSBKKACC-UHFFFAOYSA-N 379.192 2.683 0 1 GFAF CCOCCCNC(=O)C1CCN(c2nnc(-n3c(C)ccc3C)s2)CC1 6806113 VAWJNKNVTMSUDX-UHFFFAOYSA-N 391.541 2.705 0 1 GFAF O=c1c(Cc2ccco2)cc(-c2ccccc2)nn1CCCN1CCOCC1 103220436 FZOLLPKCFFZAIQ-UHFFFAOYSA-N 379.460 2.816 0 1 GFAF N[C@@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 27518680 BMDFHHHSXXLDPW-SECBINFHSA-N 379.819 2.755 0 1 GFAF CCc1c(C)c2c(c(O)c1C/C=C(\C)CN(C)CCP(=O)(O)O)C(=O)OC2 36338576 MECNVSJNWKDXSC-WUXMJOGZSA-N 397.408 2.532 0 1 GFAF NC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)n2CCN1CCOCC1 82191783 LEHBJXRPOOMIPP-UHFFFAOYSA-N 399.882 2.864 0 1 GFAF C[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82206954 YRXDPFBTVYOWCY-CQSZACIVSA-N 376.460 2.847 0 1 GFAF Cn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)C3(CC3)NC4=O)cccc2c1=O 222462053 BGXXCYLUQOQXBF-UHFFFAOYSA-N 377.448 2.872 0 1 GFAF CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(CCC(=O)OC)C(=O)c1ccccc12 95566920 HIXBCOKWGROAQJ-OFNKIYASSA-N 393.439 2.804 0 3 GFAF CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O 95667669 AZDABJQXNZGANX-DOXZYTNZSA-N 391.512 2.519 0 1 GFAF O=C1N[C@@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccccc1 95898437 YTMMXCOCLAUKDR-RTWAWAEBSA-N 390.487 2.785 0 1 GFAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)CC1 261174938 UQXQAGYSHXYJIO-JCNLHEQBSA-N 391.537 2.713 0 1 GFAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCC3)n2)cc1OC(F)F 653667568 QTJIUZPHLKPFSR-STQMWFEESA-N 389.406 2.967 0 1 GFAF Cc1ccccc1Nc1nc(N)nc(Cn2ccc(C(F)(F)F)cc2=O)n1 653741245 WEAAUXZTXHZCHG-UHFFFAOYSA-N 376.342 2.735 0 1 GFAF O=C(N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)O)OCc1ccccc1 587203747 SRUQBKMMMNRMKZ-CYBMUJFWSA-N 375.331 2.763 0 1 GFAF COc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1F 587133805 AWRIOJOWAIDSHW-UHFFFAOYSA-N 389.330 2.606 0 1 GFAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(-n3cnnn3)ccc2[nH]1 587150684 TVPCBUBLENUIBE-UHFFFAOYSA-N 378.346 2.884 0 1 GFAF COC1=COC(C(=O)O)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587832859 LHBWLKITEUREEI-BCTVWOGZSA-N 384.201 2.804 0 1 GFAF Cc1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2n1 587127729 CDQWAVPXEIIJQS-UHFFFAOYSA-N 376.342 2.690 0 1 GFAF COc1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)nc1Br 963016055 BXUQBKOEPURPGP-QGHHPUGFSA-N 388.265 2.995 0 1 GFAF CCCC[C@]1(CO)C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]1O 169366348 FUENFDZJVVFQJQ-XOULBALGSA-N 387.520 2.504 0 1 GFAF CC(=O)N1Cc2c(c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c23)N2CCC[C@@H]2C1 113154920 ZFVXNUBLUZZPJL-CYBMUJFWSA-N 399.422 2.505 0 1 GFAF CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)cc1 4205880 MUHFMBNRTCIPDH-PKOBYXMFSA-N 388.851 2.939 0 1 GFAF COc1ccc2c(c1)c1nc(SCc3cccnc3)n(CCO)c(=O)c1n2C 6802759 DZHIZGRXNHBDSH-UHFFFAOYSA-N 396.472 2.576 0 1 GFAF CN1CCN(CCCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)CC1 26653531 PPPPQONOPLQANG-UHFFFAOYSA-N 387.959 2.648 0 1 GFAF CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)n1 101857005 NTUVTYWXYODDKF-HDJSIYSDSA-N 375.423 2.974 0 1 GFAF CC(=O)N1CCc2cc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)ccc21 115624924 SFNAUVBIEBNHAO-UHFFFAOYSA-N 377.448 2.725 0 1 GFAF COc1cc(C(=O)N[C@H]2CCN(Cc3ccc4c(c3)OCO4)C2)cc(OC)c1C 28460124 ORNMFWZLENLBIQ-KRWDZBQOSA-N 398.459 2.745 0 1 GFAF CCOC(=O)c1cccc(Nc2nc(N)nn2C(=O)c2c(F)cccc2F)c1 64548862 RFQRUDSVWHMWBD-UHFFFAOYSA-N 387.346 2.747 0 1 GFAF O=C(O)C[C@H]1CCN(C2CCOCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356596863 UCUVMYPGWZNKPD-ZIAGYGMSSA-N 375.444 2.836 0 1 GFAF COc1cc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@H]2O)ccc1O 14648282 LGBAIPUTDBEARD-UXHICEINSA-N 386.400 2.998 0 1 GFAF biogenic COc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H](O)[C@H](c1ccccc1O)O2 14648208 XZNFAYXFFDZGJD-QUCCMNQESA-N 386.400 2.998 0 1 GFAF biogenic O=C([C@H]1C[C@H](Oc2ccc(Cl)cc2)CN1)N1CCCN(C2CCC2)CC1 49089516 OQKSKCQEXCCVNW-RBUKOAKNSA-N 377.916 2.536 0 1 GFAF CC(=O)N1CCN(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccccc2)CC1 82133132 HBIIHVREADSMBR-UHFFFAOYSA-N 395.507 2.540 0 1 GFAF O=C(/C=C/c1cccn(C/C=C/c2cccc(OC(F)(F)F)c2)c1=O)NO 143878058 UWYBAHYCWKOQKL-LDTZJAMMSA-N 380.322 2.979 0 1 GFAF Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CC(O)C2)cc1N1CCNC1=O 230558492 MRHNKCVMAOHNQM-OUNSHVDWSA-N 397.450 2.906 0 1 GFAF CN1CC[C@]23Cc4nc5ccc(O)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95559158 GUTKDKZSSUFCLI-WXFUMESZSA-N 388.467 2.674 0 1 GFAF COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 263590340 ROQPPUVNHYBHNU-ZBFHGGJFSA-N 392.864 2.772 0 3 GFAF COc1ccc([C@@H](C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1OC 473129034 DYCJEZBPGBQOFM-CYBMUJFWSA-N 394.449 2.526 0 1 GFAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 299883408 RHXVUHHGYPGFGP-BSLALVQMSA-N 394.519 2.911 0 1 GFAF CC(C)COc1ccc2cc(-c3noc([C@@H]4[C@@H](O)CCN4C(=N)N)n3)ccc2c1 653887596 UKWLYAISZGNWAH-ROUUACIJSA-N 395.463 2.926 0 1 GFAF O=C(CCc1nc2ccc(CO)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024353 WWQLKVFAVMACRO-UHFFFAOYSA-N 380.433 2.540 0 1 GFAF COc1cc2c3c(c1)O[C@]1(CCC(=O)N(C[C@H]4CCCCO4)CC1)[C@@H](C2)C3=O 587439537 VGNXNWVWCGRGBF-ZWWNWMABSA-N 385.460 2.763 0 1 GFAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2ncc[nH]c-2n1)c1ccc(F)cc1 587171146 KNPOYSLKPLVODZ-HNNXBMFYSA-N 383.408 2.512 0 1 GFAF O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccn1 13589867 DCKXFOOXJHHURJ-IBGZPJMESA-N 389.411 2.760 0 1 GFAF C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H](COC(C)=O)[C@H]1C[C@H]24 14685659 PTRWORWVJKGZCI-BFBXXLLNSA-N 380.488 2.893 0 1 GFAF O=C1Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N2CCC[C@H]12 7104431 IJVYXPZDPJNNCU-HXUWFJFHSA-N 376.460 2.570 0 1 GFAF CN1C(=O)N(Cc2ccccc2)C(=O)[C@H]1Cc1ccc2[nH]cc(CCN)c2c1 13603472 CDZQEYKISYUKPJ-HXUWFJFHSA-N 376.460 2.674 0 1 GFAF CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](C)CN2 82212029 FPYOPBIQFPLAQR-NSHDSACASA-N 398.385 2.917 0 1 GFAF Cn1c(C(=O)N2CCC(C(=O)NCCc3ccncc3)CC2)cc2ccccc21 103279479 LNQXOWCEWLZVNI-UHFFFAOYSA-N 390.487 2.784 0 1 GFAF COc1ccc(NC(=O)c2cc(-c3ccc(NC(=N)N)cc3)on2)c(OC)c1 169326468 GIQBPTVCQWOIIJ-UHFFFAOYSA-N 381.392 2.916 0 1 GFAF O=C(NCc1ccc(Cl)cc1Cl)N1CC2(CCN2c2ncccn2)C1 205431701 KAOKBSSJCYRGMD-UHFFFAOYSA-N 378.263 2.958 0 1 GFAF Oc1nc2cc3nc(-c4cncc(I)c4)[nH]c3cc2[nH]1 587184959 OBWYYVJAOODQOO-UHFFFAOYSA-N 377.145 2.811 0 1 GFAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587259713 HQQGSEZVJPYLPT-SFHVURJKSA-N 386.459 2.736 0 1 GFAF CN1CCN(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587349175 YEKXLYYFEGGGHT-RBBKRZOGSA-N 384.451 2.896 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccco4)Cc4nc(=N)[nH]cc41)[C@@H](C2)C3=O 587431856 HPISCWMHXQRMEW-BWFKNJDFSA-N 389.411 2.864 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 587828388 SJQQMVBGMHRLLX-HYFLHGGLSA-N 386.217 2.513 0 1 GFAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963029403 RTSLSMAVWJNFTN-PEBXRYMYSA-N 377.444 2.724 0 1 GFAF Cc1cc2c(cc1O)[C@@H](c1cnn(Cc3ccc(F)cc3)c1)N[C@H](C(=O)O)C2 963494113 XIIHNAIFUHKQQH-AZUAARDMSA-N 381.407 2.773 0 1 GFAF CN1CCc2cnn(C)c2[C@]12C(=O)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1 963955266 OVLSFTAPJMLKND-FCHUYYIVSA-N 391.427 2.531 0 1 GFAF COc1ccc(-n2nnc3c4c(cc(F)c32)c(=O)c(C(=O)O)cn4C2CC2)cc1 1911580074 DKILRMNHONCHBP-UHFFFAOYSA-N 394.362 2.916 0 1 GFAF CC1(C)CCc2c(ccc3c2O[C@H]2COc4cc5c(cc4[C@@]2(O)C3=O)OCO5)O1 2356551542 JAENCNMEYVVXFZ-AVRDEDQJSA-N 396.395 2.743 0 1 GFAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13OC[C@@H](C[C@@H]21)[C@@](O)(C(C)C)[C@@H]3O 16971585 HRQUJKIMIXCOBO-IGENTMPZSA-N 380.525 2.919 0 3 GFAF COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccco3)[C@@H]3C=C[C@H]2C3)c(OC)c1 876901 OOWFXNSFZDCAJZ-NIHZBZNOSA-N 396.443 2.990 0 1 GFAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)C1 8763056 OMYRUYFLQDCXGE-LRTDBIEQSA-N 383.448 2.507 0 1 GFAF COc1cc(OC)cc([C@@H]2c3cc4c(cc3N[C@@H]3COC(=O)N32)OCCO4)c1 25991264 RWVYUDYSGQHYJK-RBUKOAKNSA-N 384.388 2.768 0 1 GFAF COc1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@H]2COc3ccccc3O2)CC1 27894980 MXCBZTKRCHIXQW-KRWDZBQOSA-N 395.459 2.815 0 1 GFAF CN1CCN(c2cccc3cc(S(=O)(=O)c4cccc(F)c4)cnc23)CC1 34374447 PXVJEDOZGDZJQY-UHFFFAOYSA-N 385.464 2.959 0 1 GFAF Cc1cc(C)c(N2C(=O)CCn3c2nc(C)c3C(=O)N2CCOCC2)c(C)c1 49112225 SOHFBZYTLOBPAW-UHFFFAOYSA-N 382.464 2.658 0 1 GFAF CC(C)[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 82206520 UUXZBGSKLNVKEZ-MRXNPFEDSA-N 385.512 2.752 0 1 GFAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(N1CC[C@@H](NC(=O)c3ccccc3C)C1)C2 84616570 PAINGJCKTPURNG-KAKFPZCNSA-N 385.508 2.951 0 1 GFAF O=C(O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)Nc1ccccc1 95555990 MTOPWASOGKNAQK-SFHVURJKSA-N 376.416 2.975 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3ccccc3)C[C@H]21 95893556 STZOAQMOEDRGMZ-AQNXPRMDSA-N 394.475 2.987 0 1 GFAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2=O)c(OC)c1 96928913 OBFSNCRETVOPCA-UHFFFAOYSA-N 384.384 2.660 0 1 GFAF COCCCN(Cc1ccco1)C(=O)Cn1ncc2c3ccccc3nc-2c1O 101912409 FLTNPBLIDSXCLR-UHFFFAOYSA-N 394.431 2.900 0 1 GFAF O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1ccco1 110749482 HSMUOVBDBBORBG-GJZGRUSLSA-N 381.775 2.879 0 1 GFAF COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(N)=O)c1OC 114779167 HABXMRUXTIDQDY-UHFFFAOYSA-N 399.230 2.695 0 1 GFAF CCOc1cccc(C(=O)[C@H]2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(C)o2)c1 169687193 WGHTZYCMNVJQDY-ROUUACIJSA-N 385.416 2.585 0 1 GFAF COc1cccc(CO)c1C(=O)N1CC[C@@H]2CN(c3nc4ccccc4o3)[C@@H]2C1 169701343 PSQXKRHIUSUALS-RHSMWYFYSA-N 393.443 2.680 0 1 GFAF CC(C)(C)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2n1 586942421 KMLZWNJMHIIBPZ-UHFFFAOYSA-N 393.900 2.825 0 1 GFAF O=S(=O)(O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587042367 SSNBJEQJYSSPMW-JKSUJKDBSA-N 375.475 2.756 0 1 GFAF O=S(=O)(NCc1nc2cc(Cl)ncc2[nH]1)c1ccc(F)c(F)c1F 587134023 IGFZEJKNWWHDRV-UHFFFAOYSA-N 376.747 2.507 0 1 GFAF COC(=O)c1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cn1 587197041 HFJQYIJVUONXDI-GFCCVEGCSA-N 390.440 2.661 0 1 GFAF O=C(O)CCC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 587368273 FQDUYQFGDBOLMD-UHFFFAOYSA-N 387.779 2.733 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@]1(CC(N)=O)C(=O)O)CC2=O 587468390 FZDCQEFHVLZDLN-VQTJNVASSA-N 375.421 2.569 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@@]3(CCC34CN(C(=O)OC(C)(C)C)C4)c3cccc1c32 963025399 JYXDQEBNYSFTTL-PEBXRYMYSA-N 383.492 2.966 0 1 GFAF CC(=O)N1C(=S)NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccc2c(c1)OCO2 1857567290 MSHJOFCKIQEXTF-QGZVFWFLSA-N 390.461 2.666 0 1 GFAF Cc1c(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)cnn1-c1nc(O)c2sccc2n1 1857586119 GTKGNRUSIPYYQV-IUODEOHRSA-N 399.476 2.532 0 1 GFAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@@H]2C(=O)N(CC)C(=O)[C@H]21 1857616153 JJIRPDIZJVWLJK-MPGHIAIKSA-N 378.365 2.811 0 1 GFAF Cn1ncc2cc(CC(=O)N=c3ccn(Cc4ccc(F)c(F)c4)[nH]3)ccc21 1857646910 GQWJSRCPJPOCIP-UHFFFAOYSA-N 381.386 2.699 0 1 GFAF CSc1ncnc2c1c1cc(Cl)ccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F 1857648101 VXWIMQMHHJTVQX-XNIJJKJLSA-N 383.832 2.549 0 1 GFAF COC(=O)c1c(O)c2c(c3c1O[C@@H]1OCCC[C@@H]1C3)O[C@H]1OCCC[C@H]1C2 1857749332 VLCZSLVUCNVMRL-ZWPOXEQUSA-N 376.405 2.554 0 1 GFAF Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)c(F)cc1F 1857760384 WHIMGVDTCWHWSS-ZDUSSCGKSA-N 396.415 2.593 0 1 GFAF O=C(NCCNc1nccc(-n2ccc3cccnc32)n1)c1c(F)cccc1F 1911570938 XUXMHGNCEYGKCV-UHFFFAOYSA-N 394.385 2.936 0 1 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@@H]1CC[C@H](N)C1 1911574225 QKGCYDDFOYLWNM-VHSXEESVSA-N 379.346 2.667 0 1 GFAF CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)[nH]n1 12316235 FKQHMWOFWALSFB-HNNXBMFYSA-N 386.471 2.901 0 3 GFAF CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)CC)n2)cc1 1365579 HOJAUBFPKLNPLH-UHFFFAOYSA-N 394.435 2.726 0 3 GFAF CC(=O)N[C@H]1CSCON2CCc3c([nH]c4ccc(Br)cc34)[C@@H]12 2356306526 DUTYWVNXOZDNLC-GOEBONIOSA-N 396.310 2.970 0 1 GFAF Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c2ccccc2n1 4057575 QBQHUVDMGOWVFY-ILWKUFEGSA-N 375.428 2.679 0 1 GFAF COC[C@@H]1COc2cc([C@H](O)[C@@H]3CCCN(Cc4ccccc4)C3=O)ccc2O1 103271799 DSQCPOXDBGGZLE-DXIQSLLYSA-N 397.471 2.945 0 1 GFAF CNc1ccc(C(C)(C)C(=O)NC2[C@H]3CC4C[C@H]2CC(CC(N)=O)(C4)C3)cn1 100065682 WRLITWGJOVVDNY-JFDPBRROSA-N 384.524 2.587 0 1 GFAF O=C1N(C2CCOCC2)C[C@@H]2CN(Cc3ccc(-c4ccccn4)cc3)CCN12 2356423937 HESOXJWMZLMUNN-NRFANRHFSA-N 392.503 2.849 0 1 GFAF COc1ccc2c(C(=O)N[C@H](CCC(=O)O)C(=O)O)cccc2c1C(F)(F)F 28381164 YFPLXDGMOLVJNL-GFCCVEGCSA-N 399.321 2.915 0 1 GFAF COC(=O)[C@H](COCc1ccccc1)N1C(=O)[C@H](C)S[C@@H]1c1cccnc1 27756441 IXNXQERYJVBXKQ-UCLAIMLFSA-N 386.473 2.803 0 1 GFAF CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2Cc3c(-c4ccco4)ccnc3O2)c1 61906726 NHQZXSUHDJQGKD-QGZVFWFLSA-N 399.428 2.655 0 3 GFAF COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N[C@H](C)C(=O)N12 36388986 HIXJPWLVDINEFV-YXSXNVFLSA-N 392.455 2.648 0 3 GFAF Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccco1 36088313 KWBJTSIHFVATSO-UHFFFAOYSA-N 391.366 2.898 0 1 GFAF CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(CCO)[C@@H]1c1ccc(F)cc1 84706731 KWDNHMJVEKZZKU-LJQANCHMSA-N 384.407 2.631 0 1 GFAF Cc1ccc(CCNC(=O)[C@@]23C[C@@H]4C[C@H](C2)C[C@@](n2nnc(C)n2)(C4)C3)cc1 251481172 ONNCLAPHEBPYMD-MWJRXLOASA-N 379.508 2.944 0 3 GFAF COCCOc1nc(N)nc2c1C[C@H](c1c(Cl)cccc1Cl)C(=O)N2 653714958 HLVTYMXKZZNQCL-MRVPVSSYSA-N 383.235 2.669 0 1 GFAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(O)nc(S)nc2[nH]1 587041869 GDAJWDRFBDZOFO-QMMMGPOBSA-N 379.854 2.656 0 1 GFAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCNC(C)=O 587387910 UQLMLVDUZPZHCU-LJQANCHMSA-N 384.432 2.807 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)ncnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238884 HFEAPGITUIYBNM-DJHSXXLPSA-N 389.456 2.614 0 1 GFAF Cc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br 587202341 CZQQKUFTBFHQNN-CYBMUJFWSA-N 381.274 2.713 0 1 GFAF Cc1nc2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2cc1Br 586963265 ZCLGDZVDUDXVLC-ZCFIWIBFSA-N 381.259 2.960 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CO)c1ccccc12 587770815 RFQGEGUJHXTKIR-XTZNXHDOSA-N 391.240 2.662 0 1 GFAF COc1cc(C[C@@H]2[C@@H](OC)OC[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 15161234 WZOCBGLXULOIIY-PBFVBANWSA-N 390.432 2.626 0 1 GFAF COc1ccc2cc3[n+](cc2c1OC)[C@@H](C(=O)O)Cc1cc2c(cc1-3)OCO2 200346667 SXLYAPDZKKFNIT-MRXNPFEDSA-O 380.376 2.722 0 1 GFAF CC(=O)N1Cc2c(c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c23)N2CCC[C@H]2C1 113154918 ZFVXNUBLUZZPJL-ZDUSSCGKSA-N 399.422 2.505 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 769726 HDOZSERUZGQMQB-TZIWHRDSSA-N 395.503 2.979 0 1 GFAF CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N(CC)CC)c21 2459233 ULABPSSDENJQMQ-UHFFFAOYSA-N 389.315 2.779 0 1 GFAF COc1cccc2c1C(=O)N[C@H](C(=O)O)Cc1cccc(c1)OCCCCO2 103260903 ULDSWDVLXWPZAV-INIZCTEOSA-N 385.416 2.672 0 1 GFAF COC(=O)[C@@H]1CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@H]3C[C@H]12 2356460424 UPGSFJFFXVRXIF-TZVWEQIHSA-N 384.476 2.920 0 1 GFAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC=C[C@]([C@@H](C)OC(C)=O)(C1)[C@H]23 2356753453 YBXUUELSZBVEKX-ZDTCWRRLSA-N 394.471 2.763 0 1 GFAF CC(=O)N1CCC[C@@H](COc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)C1 28961030 JRPKDTFSNDNAPM-OAHLLOKOSA-N 392.459 2.966 0 1 GFAF O=C(OCc1ccccc1)C(=Cc1cn[nH]c(=O)c1)C(=O)OCc1ccccc1 28825836 KMZBPAYJQHADAS-UHFFFAOYSA-N 390.395 2.640 0 1 GFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccco2)O3)c1 61895755 PFVZTKHQWRBJEL-IBGZPJMESA-N 377.400 2.920 0 3 GFAF COc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1OC 34948299 UOXQVRHHHXEQIR-IQTJVCNSSA-N 383.492 2.902 0 1 GFAF COc1ccc2c(c1OC)[C@H](O)O[C@@H]1c3cc4c(cc3CCN(C)[C@@H]21)OCO4 14887254 BTORBKYDJDEQNX-QKNQBKEWSA-N 385.416 2.724 0 1 GFAF biogenic Cc1c(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n(C)c2ccccc12 84672569 GWDKWYDMPMOWJU-UHFFFAOYSA-N 390.487 2.883 0 1 GFAF CCOc1cc(CCNc2nc(N3CCCN(C)CC3)ncc2C)ccc1OC 82202853 HFXYVOZPTWLVKT-UHFFFAOYSA-N 399.539 2.989 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]1CNC(=O)C1CC1 95895035 DZMKJVSMHVDZJH-VSKRKVRLSA-N 396.462 2.694 0 1 GFAF CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95875143 RVOKLENHAKIBKK-XJUOHMSHSA-N 379.504 2.910 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 257387728 BMPRGPGLZWJNOP-UDVPYQQNSA-N 378.465 2.897 0 1 GFAF endogenous,in-man CN(c1ccc(-c2csc(Cc3nc(O)cs3)n2)cc1)S(C)(=O)=O 587923963 VESIHBSJTWOXLR-UHFFFAOYSA-N 381.504 2.959 0 1 GFAF COC(=O)[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587358014 PHLQTWJRBNJPOF-MDKPJZGXSA-N 386.375 2.839 0 1 GFAF COc1cc(Br)c([C@H](N)c2nc3cnc(Cl)[nH]c-3n2)cc1OC 586976736 XNQMIRVPTPVDOL-NSHDSACASA-N 398.648 2.786 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1 587137344 VTUNOMCQDBBKMT-UHFFFAOYSA-N 377.445 2.612 0 1 GFAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2C2(C=CN(c3ncccn3)C=C2)N1 962957448 BSLATKPESMTYEA-ZDUSSCGKSA-N 390.777 2.750 0 1 GFAF O=C(O)c1ccc2c(c1)[C@@]1(CCC2)c2c3c(cc4c2OCCO4)CC(=O)N1CC3 963271919 XKCUWPHMNGGHPS-QHCPKHFHSA-N 391.423 2.677 0 1 GFAF N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)OCc1cn(-c2ccc(F)cc2)nn1 1772631564 FGNHXWBZOKQDSW-SFHVURJKSA-N 379.395 2.501 0 1 GFAF CCn1cc(C(=O)NC(=S)NCc2ccccc2)c(-c2ccccc2)nc1=O 1772623254 DMZBQVIZTXMBAT-UHFFFAOYSA-N 392.484 2.735 0 1 GFAF CCCNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 11524626 POAFYWGHMRCIBD-INIZCTEOSA-N 397.479 2.849 0 1 GFAF COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O)[C@@H]2OC)cc1OC 14436134 PGNQWVRBASDKDK-QKLQHJQFSA-N 376.405 2.903 0 1 GFAF Cc1cc(OC2CCN(C3CCC3)CC2)ccc1NC(=O)CN1CCOCC1 1857546500 HEHZYYQSIYQDMH-UHFFFAOYSA-N 387.524 2.661 0 1 GFAF N=C1O[C@@H](CN2CCN(c3ccccc3)CC2)CN1C(=O)Nc1ccccc1 5939046 PWSMUIKHDKMJNC-IBGZPJMESA-N 379.464 2.676 0 1 GFAF O=c1oc(N2CCOCC2)nc2sc3c(c12)CCN(Cc1ccccc1)C3 13678190 RVGOQDHSICIQEZ-UHFFFAOYSA-N 383.473 2.644 0 1 GFAF CN(C)[C@@H]1c2ccccc2C2(CCN(Cc3ccc(C(=O)O)cc3)CC2)[C@H]1O 19742844 UBCKHANJFLKPKX-RTWAWAEBSA-N 380.488 2.896 0 1 GFAF Brc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)s1 21639984 MHVDCXNGLQBWBS-UHFFFAOYSA-N 395.326 2.696 0 1 GFAF COC(=O)[C@H](C[P@](=O)(OC)c1ccccc1)NC(=O)OCc1ccccc1 26578051 KSCTWFNVFQFHTE-SOKVYYICSA-N 391.360 2.704 0 1 GFAF COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](N)c1cc(=O)c(SC)ccc12 27711979 UIISPSQWSADMCY-GMBSWORKSA-N 375.490 2.890 0 1 GFAF c1cnc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3)CC2)nc1 34169719 ATPAOWGTPARMOQ-UHFFFAOYSA-N 376.508 2.528 0 1 GFAF CN1C(=O)[C@](c2cccc(NC(=O)c3cccn3C)c2)(C2CCCCC2)N=C1N 34950031 BLPHJRSVVFXPQF-JOCHJYFZSA-N 393.491 2.840 0 1 GFAF O=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1cnccn1 40862320 GTSHMDIPFOBOAR-UHFFFAOYSA-N 376.328 2.941 0 1 GFAF CN1CCCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1 45385479 CBTWKVIWLYXVTA-SFHVURJKSA-N 377.448 2.547 0 1 GFAF CCn1c(=O)nc2n(CCC(C)C)nc(-c3nc4ccccc4s3)nc-2c1=O 49112519 JCJCALQMTYMFFY-UHFFFAOYSA-N 396.476 2.643 0 1 GFAF COc1ccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1 49125793 BEXYYUBKFYUJAC-UHFFFAOYSA-N 393.491 2.718 0 1 GFAF C[C@H]1CN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CCN1 58592779 SFSGIDJMRRLJFG-HNNXBMFYSA-N 394.523 2.785 0 1 GFAF CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C3CC3)CC1)C2(C)C 71316283 PWMQUOFEZWCTAE-UHFFFAOYSA-N 387.528 2.846 0 1 GFAF O=C(Cc1ccccc1)OCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 95067997 MQGKFVIEIJYUNG-SFHVURJKSA-N 385.416 2.932 0 1 GFAF OCC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 95573846 VIXNRMUNIQTMQR-UHFFFAOYSA-N 391.475 2.501 0 1 GFAF in-vitro COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc(OC)c1O 95913526 FVHJOQIXLMDURD-MGPUTAFESA-N 390.432 2.553 0 1 GFAF biogenic,in-vitro CC(C)Nc1nc(-c2ccc([C@H]3CCC(=O)N3)cc2)cc2ncn(C)c(=O)c12 115624869 XBARPRNEDNKXCY-OAHLLOKOSA-N 377.448 2.767 0 1 GFAF CNC(=O)c1ccnc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1 145428403 XDJFHHCDOHCTAP-UHFFFAOYSA-N 377.408 2.855 0 1 GFAF CC/C(C)=C/C(=O)O[C@H]1CC=C2C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 238771521 GOYCTRMVTOTXSN-QMZRTGRCSA-N 376.449 2.554 0 1 GFAF O=S1(=O)N[C@@]2(CCCN(Cc3ccc(F)cc3)C2)COc2ccccc21 299852190 OPVIYLCJPFGOLR-LJQANCHMSA-N 376.453 2.531 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3ccc(C(=O)OCC)cc3[nH]2)CC1 586953201 RGOYHYMIGCYQRH-UHFFFAOYSA-N 379.482 2.659 0 1 GFAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(=N)[nH]cc2[nH]1 586980275 MSZCMFYGJBIACX-UHFFFAOYSA-N 377.198 2.533 0 1 GFAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)nc(O)nc3[nH]2)C[C@H]2CCCC[C@@H]21 587024972 DFPWNJZTQUIOHR-AGIUHOORSA-N 399.476 2.901 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587035153 MEHRHFUVITTYIQ-OAHLLOKOSA-N 377.491 2.731 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OCC(=O)N(C)C)c1)[C@@H](C2)C3=O 587429169 OHPVIYINSXYXLJ-HTAPYJJXSA-N 381.428 2.825 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(N)=O)c(OC)c1)CC2=O 587471313 QQAYGPPGSJFVJB-SFHVURJKSA-N 385.416 2.924 0 1 GFAF CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@]12NCCc1c2sc(C)c1C 963009286 LDDUILYNWNPYLQ-GCJKJVERSA-N 398.528 2.928 0 1 GFAF CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(CC(F)F)c3ccc(F)cc13)C2 1772632572 XERAMXGGJCVJKK-ZIAGYGMSSA-N 381.398 2.637 0 1 GFAF COc1ccc(CN2c3c(Br)cccc3C(=O)CS2(=O)=O)cc1 61943367 NZVXESNZGUVSKT-UHFFFAOYSA-N 396.262 2.990 0 3 GFAF O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2c1ncn2CCCCO 28356643 MXZSROXOTCJLTP-UHFFFAOYSA-N 382.251 2.811 0 1 GFAF CN(C)c1n[nH]c2c1[C@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 102017201 QNYADJHHTWVLEV-IUODEOHRSA-N 380.901 2.970 0 1 GFAF CN(C)CCNCCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902739 DJJQOKWOGCLQDT-UHFFFAOYSA-N 388.471 2.926 0 1 GFAF CN(C(=O)CCCOc1ccc2c(c1)CN1C(=O)CNC1=N2)C1CCCCC1 26945012 DYBQRRGXTUAFIM-UHFFFAOYSA-N 384.480 2.570 0 1 GFAF CCc1ncnc(N[C@H](C)c2ccc3c(c2)N=C(NCCO)CO3)c1Cl 28887649 GHBMQXWJPXROQS-LLVKDONJSA-N 375.860 2.870 0 1 GFAF COC[C@@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O 49046888 KYXNOTCRRUXNGE-AWEZNQCLSA-N 395.410 2.901 0 1 GFAF COc1ccccc1OCCNC[C@H](O)COc1ccc(OC)c2[nH]ccc12 45286747 LFDKEGHUMFONNH-HNNXBMFYSA-N 386.448 2.593 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccc(F)cc1 95794899 MWGJDOOTXHORJC-SFTDATJTSA-N 397.494 2.960 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CN(C)C(=O)CC)cc1 95667196 ZWWIZDOUHZQQDN-AHQOVFMLSA-N 387.524 2.836 0 1 GFAF COc1cncc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1 140223163 JEPSGYHOWQPRBL-UHFFFAOYSA-N 386.415 2.663 0 1 GFAF O=C(C(=O)N1CCCC[C@H]1C(=O)NCCCc1ccccc1)c1ccccc1 95595620 QXYDCLICGYMGIX-FQEVSTJZSA-N 378.472 2.999 0 1 GFAF O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccncn2)C1 95565325 PSGZBPHAAGGIJD-UHFFFAOYSA-N 375.219 2.698 0 1 GFAF CO[C@]12C=C[C@@]3(C[C@]14CCC[C@H]4O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 261176660 VAGUZCYSBGOWIA-JJDLCWJDSA-N 395.499 2.528 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(CCS(=O)(=O)c4cc(F)c(F)cc41)[C@@H](C2)C3=O 587428115 NKUIZYMYRPZZMN-HXPMCKFVSA-N 392.379 2.794 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(O)ccc12 587594421 KVIIMWHCHJDFFQ-DYESRHJHSA-N 375.336 2.907 0 1 GFAF C/C=C/C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433963 YHQVEGALQGUTEE-CPADFKOSSA-N 383.444 2.737 0 1 GFAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(CCO)cc2[nH]1 587182133 LTWULHZEKOBLEF-SNVBAGLBSA-N 396.232 2.817 0 1 GFAF O=C(O)COCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587563246 AZRPQJPRGBCXLT-UHFFFAOYSA-N 395.824 2.618 0 1 GFAF COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cn1 963605708 HBFHCFKLRSDFNM-ZSEKCTLFSA-N 386.448 2.750 0 1 GFAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230886 QKYOIWJHKNLDNS-YLJYHZDGSA-N 393.491 2.846 0 1 GFAF COC(=O)[C@]1(CC(=O)c2ccc(C)o2)NCCc2cc3cccc(OC)c3nc21 963052912 FFALGVVOQITCRR-JOCHJYFZSA-N 394.427 2.932 0 1 GFAF CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1Cl 13650283 IKLWKDLOEJUBQB-QWRGUYRKSA-N 391.830 2.720 0 1 GFAF Cn1cc(C2=NC(=O)N[C@H](c3ccc(C(=O)O)c(O)c3)[C@@H]2c2ccsc2)cn1 169702750 DYZHMEZHAFZSRU-JKSUJKDBSA-N 396.428 2.923 0 1 GFAF NCC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 200373697 ABPCWONNNXXDCH-SFHVURJKSA-N 375.400 2.796 0 1 GFAF COc1ccc2c(c1OC)CN1[C@@H](C2)c2cc3c(cc2C[C@@H]1C(=O)O)OCO3 1857559295 VODKHENZNPOMEU-JKSUJKDBSA-N 383.400 2.541 0 1 GFAF CC(C)(C)NC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(O)nc3c12 1857588707 WRZBPUKPBFGUPK-UHFFFAOYSA-N 382.468 2.975 0 1 GFAF O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCOCC1 2971039 ZLQTWTBHAYMOCS-UHFFFAOYSA-N 387.505 2.724 0 1 GFAF CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 3977974 FAOZLTXFLGPHNG-AEICGXKPSA-N 376.468 2.923 0 1 GFAF COc1ccc(NS(=O)(=O)c2csc(C(=O)N3CCCC3)c2)c(OC)c1 6887835 LGVBTBFLGOCLGR-UHFFFAOYSA-N 396.490 2.802 0 3 GFAF O=C(Nc1ccc(Br)cc1)N1CCNC[C@H]1COc1cccnc1 114578887 ZWVAMLLYVVWRHA-HNNXBMFYSA-N 391.269 2.729 0 1 GFAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 61930926 XPRZZQIGMHNJBH-QGZVFWFLSA-N 397.475 2.879 0 3 GFAF CSC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27313925 PHTLRDZZNMXWRD-JQWIXIFHSA-N 397.497 2.750 0 1 GFAF CCCC(=O)CC1=C(C)[C@H](OC(=O)c2c(C)cc(O)cc2O)[C@](C)(O)[C@H](O)C1 2356719684 DTAKGJIOWCMCMB-SLYNCCJLSA-N 392.448 2.523 0 1 GFAF COc1cccc(S(=O)(=O)Nc2ccc(C(=O)CSC(C)=O)cc2)c1 35950735 BXNCCGKZGQVQOM-UHFFFAOYSA-N 379.459 2.958 0 1 GFAF C[C@@H]1O[C@@H](OCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O 219960398 OEUPNEHVNNGMKN-VAVNGKDRSA-N 390.517 2.596 0 1 GFAF in-vitro COc1c(O)ccc(CCC(=O)C[C@H](O)CCCO)c1-c1ccc(CN)cc1 85597475 OUQQFAOHAXMFFG-GOSISDBHSA-N 387.476 2.552 0 1 GFAF biogenic,in-vitro CCCc1cc(OC)cc2nc(-c3cccnc3N3CCN(C)CC3)oc(=O)c12 43067331 QMVYSHSDRXYIHC-UHFFFAOYSA-N 394.475 2.963 0 1 GFAF CN1CCC[C@@H]1COC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 82084990 BOCKCNIWCWWHHB-GOSISDBHSA-N 393.443 2.862 0 1 GFAF O=C1NCCN1CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144860124 QEQKFXXVECVKNK-GOSISDBHSA-N 378.350 2.869 0 1 GFAF CC1(C)OC(=O)N[C@H]1CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 95068021 NGZCFOOXHBVQFM-GJZGRUSLSA-N 378.425 2.813 0 1 GFAF CS(=O)(=O)c1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1 299865159 NKTYHLPETWZUHO-UHFFFAOYSA-N 393.896 2.507 0 1 GFAF CC[C@@H](C)n1ncc(I)c1-c1nc2c[nH]c(=N)cc2[nH]1 587181634 XXVYGUANPPBDDR-SSDOTTSWSA-N 382.209 2.810 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS(=O)(=O)c3cc(F)c(F)cc31)O2 587386336 XNQSXSODZLLHLY-GOSISDBHSA-N 379.384 2.894 0 1 GFAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2N)C1 586955693 SHMGWZUUFDJSKS-UHFFFAOYSA-N 394.859 2.922 0 1 GFAF COC(=O)[C@@H]1N2CCC(CC2)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587788996 BCJJNHQNDUSNNB-BMIZZYGASA-N 397.288 2.585 0 1 GFAF CCn1cc(Br)c(Cc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)n1 587001513 ZATXNYJZRQTRGY-UHFFFAOYSA-N 393.241 2.928 0 1 GFAF CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587387177 NUJTWGKSYWOXJS-OAQYLSRUSA-N 390.480 2.787 0 1 GFAF COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1cc(F)ccc1F 587649961 NRORWJABNPLPDM-UHFFFAOYSA-N 393.367 2.867 0 1 GFAF CC1=C[C@]2(CC(=O)N1Cc1ccco1)NC[C@H]1CC(=O)N(C)c3cccc2c31 963038703 XYXOTHAAQZLCKM-IVZQSRNASA-N 377.444 2.865 0 1 GFAF CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2ccccc21 220235871 KHHLCYXJSGSSBR-UHFFFAOYSA-N 395.484 2.659 0 1 GFAF C#CCN(Cc1cccc(C)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 142500275 DRCMDBQHWSKKLQ-JOCHJYFZSA-N 396.441 2.888 0 1 GFAF COc1c(O)cc2c(c1OC)O[C@H]1c3cc(O)c(OC)c(OC)c3OC[C@@H]21 14438251 OADZLSQNPZPBEF-GWCFXTLKSA-N 376.361 2.742 0 1 GFAF biogenic,in-vitro COc1c([C@]2(O)COc3cc(O)cc(O)c3C2=O)ccc2c1C=CC(C)(C)O2 14711793 SYJLLCMGTNPNAB-OAQYLSRUSA-N 384.384 2.754 0 1 GFAF biogenic Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)CN1CCCCC1=O 15075505 FTDRHCYROZDIMU-INIZCTEOSA-N 387.528 2.745 0 1 GFAF CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@@H](C)S2)CC1 27524547 XQCMCRJFPLKEPF-SNVBAGLBSA-N 377.441 2.605 0 1 GFAF CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@H](C1)[C@@H]2NS(C)(=O)=O 36286996 IIGBHFJNVWQBMB-SBOFIZKASA-N 377.897 2.994 0 1 GFAF COc1cc2nc(N3CCOCC3)nc(NCCCOC(C)C)c2cc1OC 82129655 KLKLOXALBLCMHW-UHFFFAOYSA-N 390.484 2.711 0 1 GFAF CC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(C)=O 95867943 HTSBDONSFXHTAK-BHDDXSALSA-N 384.451 2.646 0 1 GFAF COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(OC)cc3)ccc1N(C)[C@H]2CO 95878049 DEYMDVYMBMQRFX-HARLFGEKSA-N 396.487 2.709 0 1 GFAF CC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95895303 UQDFHIHWLAWPMJ-ZRBLBEILSA-N 392.499 2.897 0 1 GFAF CC(=O)Nc1n[nH]c2c1[C@@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 102013299 RBCQNTRBKVPZQE-WFASDCNBSA-N 394.884 2.862 0 1 GFAF C[C@@]1(C(=O)NCCCn2cnc(Cl)c2)CC1(Br)Br 169347268 YWIZIHAHBHOYKQ-JTQLQIEISA-N 399.514 2.939 0 1 GFAF CN1C(=O)[C@]2(C)S[C@]1(c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 195514976 HVPHFUKVAWYJPT-IMAQQZIHSA-N 378.453 2.623 0 1 GFAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)C2 587247468 SHENTFMJGUSCIV-HSZRJFAPSA-N 391.519 2.666 0 1 GFAF COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428328 MFYQCECWELPXOA-QVKFZJNVSA-N 384.359 2.609 0 1 GFAF NC(=O)c1cc2c(nc1O)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510625 MGJVNLQTSGUYIC-QFIPXVFZSA-N 378.428 2.962 0 1 GFAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCN(C)CC1 587866039 BWAVUZLDKRXMCF-UHFFFAOYSA-N 396.413 2.855 0 1 GFAF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)C(=O)N(CCC(C)C)c2ccccc21 963511578 UDEXGCNBDUVODP-FDDCHVKYSA-N 394.471 2.936 0 1 GFAF NC(=O)c1cnc(N(CCO)[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12 1772646506 BQBJXHAMNNFKEE-HNNXBMFYSA-N 396.516 2.613 0 1 GFAF Nc1ncnc2c1c(-c1ccc(Cl)c(Cl)c1)cn2[C@@H]1O[C@H](CO)C[C@H]1O 1857583278 FNHKHSHUDAGTKG-VNQQYTOKSA-N 395.246 2.628 0 1 GFAF Nc1ccccc1NC(=O)CCCCCNC(=O)/C=C1\NC(=O)c2ccccc21 1857620596 QFBXJZMIADUOHG-RGEXLXHISA-N 392.459 2.668 0 1 GFAF NS(=O)(=O)c1ccc([C@H]2[C@H](c3noc(-c4ccccc4)n3)C2(F)F)cc1 1857654966 JRGDEDZRXPVNBQ-UONOGXRCSA-N 377.372 2.900 0 1 GFAF Cc1ncc(-c2nc(=N[C@@H]3CCC(F)(F)C3)[nH]c(=N[C@@H]3CCC(F)(F)C3)[nH]2)[nH]1 1857656331 WXUIXALGZVQUGH-GHMZBOCLSA-N 399.396 2.613 0 1 GFAF COc1cc(OC)c2c(=O)cc(C(=O)Nc3cccc(-n4ccnc4)c3)[nH]c2c1 1857753474 NBDSPKDPZNFWGF-UHFFFAOYSA-N 390.399 2.983 0 1 GFAF CC(=O)O[C@@H](CC(C)=CCCC(C)=CCCC(=CCO)CO)[C@H](O)C(C)(C)O 2356590078 DBAHGLBNNDLYHN-SFTDATJTSA-N 398.540 2.804 0 1 GFAF CC(=O)O[C@@H]1Cc2cc3c(cc2[C@H]2[C@H]1c1ccc4c(c1CN2C)OCO4)OCO3 2356662233 IDYNWQAYWOFRRD-HKBOAZHASA-N 395.411 2.902 0 1 GFAF COc1c2c(cc3c1OCO3)[C@H](c1cccc3c1OCO3)[C@H]1C(=O)OC[C@@H]1C2 2356787133 UFEZQYFXESTBRQ-POJUEXTFSA-N 382.368 2.630 0 1 GFAF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](C(C)(C)NC)O3)CC[C@@](C)(NC)[C@H]2CC[C@]1(C)O 2356831168 JMTPBTLHAQEXIC-KVGJFGCYSA-N 395.632 2.675 0 1 GFAF CCc1c(O)n(-c2ccccc2)c(SCC(=O)Nc2cc(C)on2)nc1=O 101810404 BWIIQUIQFJHHCA-UHFFFAOYSA-N 386.433 2.528 0 3 GFAF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054852 IQMDZIQGDOQBGL-MJGOQNOKSA-N 388.851 2.557 0 1 GFAF CCCCN(CC)C(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 6943792 XKNRFMHFXRIISC-UHFFFAOYSA-N 381.480 2.848 0 1 GFAF CCN(CC)C[C@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 105512658 CNAPNWNCRWDJDE-QZTJIDSGSA-N 386.540 2.947 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@@H](CCc3ccccc3)C2=O)cn1 115731237 GKNNRXBARRKQRO-SFHVURJKSA-N 379.420 2.594 0 1 GFAF COc1ncc(CN2CCc3ccc(NC(=O)c4ccccn4)cc3C2)cn1 20784836 UADMOMOFTIXUHF-UHFFFAOYSA-N 375.432 2.691 0 1 GFAF COc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1 113089976 YTPUJUFPXSXCJV-LJQANCHMSA-N 396.422 2.568 0 1 GFAF NC(=O)c1cn(-c2ccc(O)c(F)c2)c2cc(-c3ccncc3)ccc2c1=O 27309359 YCAWRCNKWBGIMN-UHFFFAOYSA-N 375.359 2.996 0 1 GFAF Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3CC(C)(C)C)n2)cc1 15674558 KRNUUQVOTSDUOQ-ZBFHGGJFSA-N 393.509 2.506 0 1 GFAF biogenic N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCCC(=O)O 40918220 HNLFWLHYCOSXLD-SFHVURJKSA-N 399.447 2.506 0 1 GFAF COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCC(C)C)ncnc21 82177891 ZETJGFWMFFHXNK-UHFFFAOYSA-N 383.452 2.994 0 1 GFAF CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085590 CEVZFZINAQEWTC-MRXNPFEDSA-N 388.493 2.596 0 1 GFAF CN(C)C(=O)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1 96174446 DFLDZVZJCUIPTJ-UHFFFAOYSA-N 386.415 2.826 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(C)C1 95865121 GFKXEQGVBWTYHP-IBGZPJMESA-N 391.471 2.549 0 1 GFAF CCOC(=O)C1(C(=O)OCC)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587400261 PNIWTQXUQVPSBU-UHFFFAOYSA-N 389.448 2.968 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cnc(Cl)[nH]c-4n3)cc12 587039442 XSNIMCGFXKXPCX-SSDOTTSWSA-N 375.845 2.706 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCCCO4)CC1 586953275 QWKYXDPYWMPAKQ-UHFFFAOYSA-N 379.482 2.722 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(=O)c(C(=O)O)c[nH]c4c1)[C@@H](C2)C3=O 587436392 PVEWTXFHZZVKIZ-OYHNWAKOSA-N 391.379 2.898 0 1 GFAF COc1cc(Br)c([C@H](N)c2nc3cncc(OC)c3[nH]2)cc1OC 586975021 IYUMHMNPVRBJFO-AWEZNQCLSA-N 393.241 2.794 0 1 GFAF COc1cc2c3c(c1)O[C@@]1([C@@H]4COC[C@H]1CN(Cc1ccccc1)C4)[C@@H](C2)C3=O 587445739 XTOQKGCWBRTYKJ-KTXJPYHWSA-N 391.467 2.960 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587835490 PDURMGREASPCDO-SIMVJXQJSA-N 386.261 2.917 0 1 GFAF CC(=O)SCc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O 587940637 JUBNMQYNJVHDSI-UHFFFAOYSA-N 387.211 2.524 0 1 GFAF CS(=O)(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967317 UDJIQKSEZGQZFV-UHFFFAOYSA-N 387.446 2.704 0 1 GFAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C)CCn1cccn1 963153486 WANJAGIDXZAXLR-FZKQIMNGSA-N 392.481 2.892 0 1 GFAF Cc1nc(C(=O)O)c([C@@]2(c3ccc(F)cc3)c3nn(C)cc3CCN2C)s1 963954013 FVCPDLOPMGJMKC-LJQANCHMSA-N 386.452 2.802 0 1 GFAF COc1ccccc1NC(=S)[C@H]1C(=O)c2sccc2N(C)S1(=O)=O 5993256 KODUBIAZYBOJLW-CQSZACIVSA-N 382.488 2.527 0 1 GFAF CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 5070103 JGRIESZLOZOBRQ-MJGOQNOKSA-N 388.508 2.654 0 1 GFAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@H]1C(OC)OC 169721214 BSXTWOPWXFSUSL-JKSUJKDBSA-N 389.448 2.850 0 1 GFAF O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 1857607428 MVQUMFGKRYJMQJ-NRFANRHFSA-N 392.430 2.836 0 1 GFAF COc1ccc(NC(=O)CN2[C@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)cc1OC 1348724 VIUAZJWVKDSLOX-VSOVRNOCSA-N 397.475 2.552 0 1 GFAF CC1(C)C(=O)NCCN1C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 12031286 XPEGETXFZASUOK-UHFFFAOYSA-N 377.444 2.964 0 1 GFAF COC(=O)C1=CO[C@@H](C)[C@H](CO)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 13312010 ZHSWZGYEMVSUSM-JQFCIGGWSA-N 380.444 2.969 0 1 GFAF COc1ccccc1CNc1nc(N2CCC[C@H]2CO)nc2c1ncn2C(C)C 27408295 WMXQUPLTFMNUFT-INIZCTEOSA-N 396.495 2.989 0 1 GFAF O=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)cccc21 28524639 DBTQINMSHFJBLR-UHFFFAOYSA-N 375.881 2.941 0 1 GFAF COC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O 45283296 XCIPOAZOZKLEOW-UHFFFAOYSA-N 394.335 2.616 0 1 GFAF in-vivo CCc1cc(O)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1Br 64454290 LTYLKFKJUXNUBZ-LBPRGKRZSA-N 385.302 2.940 0 1 GFAF O=C(O)CC[C@@H]1COc2c(ccc(/C=C3\c4ccccc4C[C@@H]3O)c2C(=O)O)O1 95920885 MFTKMGJMWGIHJP-HJKFZPBFSA-N 396.395 2.847 0 1 GFAF in-vitro COC(=O)[C@@]12CCC[C@]3([C@@H](O)OC1)[C@@H]1[C@@H](CC[C@@H]23)[C@@H](C)c2ccoc2[C@@H]1O 143188958 IUERDUXXUQLZOY-CYDSUDJKSA-N 376.449 2.751 0 1 GFAF Cc1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n(C)n1 143816616 PCBDINFYFWDEFZ-MRXNPFEDSA-N 381.436 2.911 0 1 GFAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 299879181 KIUONUXAPBRWKD-BQFCYCMXSA-N 383.473 2.625 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(Cl)ncnc4[nH]3)cc12 587038363 RQAMPAOJWLSHEN-SSDOTTSWSA-N 375.845 2.754 0 1 GFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)cc(F)c2[nH]1 587203571 LRZWYOCIXYWWCN-LLVKDONJSA-N 385.237 2.543 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](c1nc3ccccc3[nH]1)S(C)(=O)=O)O2 587410215 WCRDKNMCOBBOQS-SJLPKXTDSA-N 385.445 2.573 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C=C(C)N(Cc4cccnc4)C(=O)C1)[C@@H](C2)C3=O 587434531 AEJLIHFTGIOPQZ-HTAPYJJXSA-N 376.412 2.913 0 1 GFAF COC(=O)[C@]1([C@H]2CCCC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587811240 VZLMMDHRDGZLHC-MIHTYCSTSA-N 384.245 2.860 0 1 GFAF c1cnc2c(c1)CCC[C@H]2N(Cc1ccncn1)N1CCN(CC2CC2)CC1 1857760507 IQOSLDBZNGOXDQ-OAQYLSRUSA-N 378.524 2.694 0 1 GFAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@@H](OC)[C@H]1OC(=O)CNC(C)=O 2356687552 SQLQLDKOWUQTAV-NASSWSRMSA-N 379.497 2.943 0 1 GFAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@H]2[C@@H]1C 2356816088 CXNZNHHLTITSAJ-FBGIEJIUSA-N 381.561 2.658 0 1 GFAF CO[C@@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)C[C@@H](C(C)(C)O)O2 2356851360 QGWNXSMDRPLOFM-SIKLNZKXSA-N 396.439 2.992 0 1 GFAF Cc1ccc(C)c(NC(=O)CN2C(=O)C[C@@H](C)S(=O)(=O)c3ccccc32)c1 6806557 VENFJSHOQOVVSL-OAHLLOKOSA-N 386.473 2.841 0 3 GFAF O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)N1CCOCC1 2948255 YKSJJKOZRRFLCD-UHFFFAOYSA-N 382.489 2.755 0 1 GFAF Cc1c(F)c(N2CC[C@H](N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1 13649783 WBVCYTXKEYQJFB-VIFPVBQESA-N 379.819 2.673 0 1 GFAF COc1cc(C2=C(c3cc4ccccc4[nH]3)C(=O)NC2=O)cc(OC)c1OC 13681659 PPPLZNALJAFQDU-UHFFFAOYSA-N 378.384 2.761 0 1 GFAF CC(C)CCCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@H](N)CO 14612892 WAKCZJJZENSBLC-LJQANCHMSA-N 386.533 2.609 0 1 GFAF biogenic COc1cc(CC(=O)NC[C@@H](CCc2ccccc2)COC(C)=O)ccc1O 26741870 PBYMLPNEVUPKGK-LJQANCHMSA-N 385.460 2.872 0 1 GFAF COc1cc(CC(=O)NC[C@H](CCc2ccccc2)COC(C)=O)ccc1O 26741874 PBYMLPNEVUPKGK-IBGZPJMESA-N 385.460 2.872 0 1 GFAF CCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@@H]2CC[C@@H]1C2 102828275 GLDQUPKNVVPTGP-NFAWXSAZSA-N 380.514 2.859 0 1 GFAF CCn1cc(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2)cn1 103241067 GVASHFZAXJIJFF-RBUKOAKNSA-N 396.472 2.873 0 1 GFAF COc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1cccnc1 195363056 UUMOMJJBWIADAQ-YKCBXCCJSA-N 377.444 2.783 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(COC(C)=O)c12 209357349 HXUQHKCHHIYVEZ-LLVKDONJSA-N 383.408 2.912 0 1 GFAF O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(-c2ccncc2)c1 217119336 CRKXZCMPAJDZJY-QHCPKHFHSA-N 387.483 2.898 0 1 GFAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(F)c(Br)n3)nc12 587155895 UWFZXMPZJKKDDM-UHFFFAOYSA-N 399.245 2.777 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(CCO)cc3[nH]2)cc1 587228661 PJQDSFJJQNXMGW-UHFFFAOYSA-N 382.420 2.596 0 1 GFAF CCOC(=O)CC[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440868 IJSUTPPTVBUJSV-PDSXEYIOSA-N 390.432 2.724 0 1 GFAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)N1CCOCC1 587658077 KDCMNTIXOOEJQS-UHFFFAOYSA-N 387.411 2.807 0 1 GFAF O=C(O)/C=C/C=C\c1nc2c(Cl)ncc(I)c2[nH]1 587968098 KPLHPFGPPNBCEP-HSFFGMMNSA-N 375.553 2.870 0 1 GFAF Cc1nc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)[nH]c1CO 1857757388 OOWXIAZKKFGUJH-UHFFFAOYSA-N 378.860 2.778 0 1 GFAF CC(=O)O[C@H](C)C=CC(=O)N[C@@H]1C[C@H](C)[C@@H](CC=C(C)C=CC(=O)O)O[C@@H]1C 2356636036 SPJBXWLUCQGFSA-LHXSAFEUSA-N 393.480 2.770 0 1 GFAF O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(N3CCSCC3)c21 95567058 KKNRLTUEIVCJLX-INIZCTEOSA-N 390.530 2.522 0 3 GFAF CCc1nn(CC(=O)N[C@@H](C)CCc2ccco2)c(=O)c2cc3occc3n12 5149459 MNKBOHZVMOKNBH-ZDUSSCGKSA-N 382.420 2.535 0 1 GFAF COc1cccc2c1C[C@@H](NCCCCN1C(=O)c3ccccc3C1=O)CO2 12356247 FVFQQWRAUZNCPU-OAHLLOKOSA-N 380.444 2.665 0 1 GFAF N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)s1)C(=O)O 28707156 INPIVQNIIMYXCG-GFCCVEGCSA-N 394.884 2.515 0 1 GFAF O=C1NC(=O)[C@H](S(=O)(=O)c2cccc3c(Br)cccc23)S1 29214363 NHGDNRXYCKECLZ-LBPRGKRZSA-N 386.248 2.685 0 1 GFAF COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1/C=C/C(=O)O 29309115 VRLVARCYYMQMEO-VQHVLOKHSA-N 394.431 2.807 0 1 GFAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccc(O)c2)cc1O 62224845 AZWYITDDZJFJGD-IBGZPJMESA-N 376.412 2.591 0 1 GFAF CCCCNc1nc(N2CCC[C@@H](C(N)=O)C2)nc2cc(OC)c(OC)cc12 82129193 AEHOYSDKQRLKTI-CYBMUJFWSA-N 387.484 2.561 0 1 GFAF O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCC1CC1 84688554 MBYMWYUCLHWEIM-FQEVSTJZSA-N 388.471 2.986 0 1 GFAF C[C@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1 95581144 RCUDMUZVZCVJCO-ZDUSSCGKSA-N 398.898 2.786 0 1 GFAF COc1cnccc1-c1cc(=O)n(C)c(N2CCO[C@@H](c3ccc(F)cc3)C2)n1 103240259 JOVOBDGBZJQSCZ-LJQANCHMSA-N 396.422 2.568 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(OC)C[C@@H]12 142240729 CZMOHCGAILDDJJ-TVEXLHLKSA-N 378.465 2.897 0 1 GFAF COCc1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1 142985174 BCXVMJGBVMARTJ-HUUCEWRRSA-N 389.463 2.978 0 1 GFAF Cc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 195497945 ZPKWWRSEUAPMJU-FNXXIHLHSA-N 395.846 2.547 0 1 GFAF Cn1c(Nc2ccccc2)nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2c1=O 222436073 OSOUOUSXPWWDON-UHFFFAOYSA-N 385.427 2.958 0 1 GFAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 299886283 WXORIUAHAIUONU-BJLQDIEVSA-N 377.444 2.563 0 1 GFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)ncc2[nH]1 586929605 FVNVKOYTJJSQDE-UHFFFAOYSA-N 386.355 2.512 0 1 GFAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2nc(Cl)c[nH]c-2n1 586954056 ZWMOLXIFVXRQDT-UHFFFAOYSA-N 392.853 2.882 0 1 GFAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cnc5ccccc5c4[nH]3)c2N)C1 586954738 GHDIEAAUESDVDK-UHFFFAOYSA-N 393.472 2.678 0 1 GFAF Cc1ccc(C)c2[nH]c(-c3nc(O)nc(O)c3I)nc12 587182801 SLTGYXHDRLMJSM-UHFFFAOYSA-N 382.161 2.653 0 1 GFAF O=C(O)CNCCNCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587229342 VSVNWBAHMILGJK-UHFFFAOYSA-N 381.461 2.603 0 1 GFAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1 587784467 HJORLYUTQAITNR-HOTGVXAUSA-N 399.472 2.757 0 1 GFAF CCn1cc(-c2csc(N)n2)c(=O)c2cc(N3CCNCC3)c(Cl)cc21 653887081 JKUPGMGITJMUDX-UHFFFAOYSA-N 389.912 2.790 0 1 GFAF Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCO3)cc2c1 8579350 IXOZFNJFOLNEGL-OALUTQOASA-N 384.476 2.832 0 3 GFAF C[C@H]1CNC(c2ccc(NC(=O)Nc3ccc(C4=N[C@H](C)CN4)cc3)cc2)=N1 6488545 SWVAXZRNNHSCDR-OKILXGFUSA-N 376.464 2.807 0 1 GFAF O=c1ccc(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)o2)n[nH]1 6973991 CUMLAZSQCUHNSY-UHFFFAOYSA-N 399.472 2.673 0 1 GFAF CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2C(=O)OCCO[N+](=O)[O-])cc1 103284234 FLLBPVMOJOZHOR-MAUKXSAKSA-N 392.452 2.731 0 1 GFAF COc1cccc(-n2c(SCC(N)=O)nc3c4ccccc4nc-3c2O)c1 100086834 CQXQKLWYVHXCRW-UHFFFAOYSA-N 380.429 2.817 0 1 GFAF CCS(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1 58534731 XUMSFYBHKWTENQ-KKVAFCGZSA-N 387.505 2.887 0 1 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)CC1CCCC1 61927105 MZKPKANGJAEPNS-SFHVURJKSA-N 398.912 2.716 0 3 GFAF CNC[C@@]1(C)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27525787 JIHVBCSFXGQPKH-HXUWFJFHSA-N 391.418 2.749 0 1 GFAF C[C@]1(C(=O)NCc2ccccc2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61906695 ALDATMFHJBFJNH-HSZRJFAPSA-N 387.439 2.858 0 3 GFAF CCN(CC)CC[C@H]1CN(C(=O)COc2ccccc2)CC[C@@H]1CC(=O)O 2356840384 MQHUDIXXEICHEC-MSOLQXFVSA-N 376.497 2.737 0 1 GFAF CCOC[C@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 49018330 JVAXPPZEBXHMED-LPWJVIDDSA-N 381.643 2.652 0 1 GFAF N[C@@]12CC[C@@H](Cc3ccccc3C1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 40614181 JARIXOMLQISROZ-VUCTXSBTSA-N 382.938 2.955 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nccc(N4CCCC4)n3)C2)cc1 261180564 VZPKXABJWDUVGH-OXJNMPFZSA-N 395.507 2.932 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(C(=O)OCC)CC2=O 587479734 JCEAQRFPHNAKRN-HXUWFJFHSA-N 378.421 2.955 0 1 GFAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)N1C(=O)CCC1=O)[C@@H](C2)C3=O 587440017 XVUGMVQKTCBCGW-GJKYVBSNSA-N 391.423 2.876 0 1 GFAF CC1=C(c2ccc3nc([C@@H]4CSCN4C(=O)C(C)(C)C)[nH]c3c2)NNC(=O)C1 587043336 POEZTLWAAAMGJB-HNNXBMFYSA-N 399.520 2.939 0 1 GFAF C[C@H]1CN(c2ccc([C@H]3NCCc4ccc(C(=O)N(C)C)cc43)cn2)C[C@@H](C)O1 962924539 KMQJQTGLJGPHSX-ZMPRRUGASA-N 394.519 2.632 0 1 GFAF O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 1857636736 FTFRVHRVNAJZCB-FCHUYYIVSA-N 393.483 2.983 0 1 GFAF O=C1NC(=O)/C(=C/c2cccc(OCN3C(=O)c4ccccc4C3=O)c2)S1 1857655829 FPRLUZGECBUTGM-DHDCSXOGSA-N 380.381 2.643 0 1 GFAF O=C(c1ccon1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 13537579 HFFQIIZPFYDOIP-ROUUACIJSA-N 397.431 2.650 0 1 GFAF CCS(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCN(C=O)CC1 43199856 UVVGIEDUPSDPEP-UHFFFAOYSA-N 391.537 2.996 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)c3ccccc3)N(C(C)=O)[C@H]2CO)cc1 95895065 GORVFQJRTXHRGE-YQNQEYDRSA-N 378.472 2.825 0 1 GFAF COc1cc2c(cc1[C@H](O)[C@H]1CCCN(Cc3ccccc3)C1=O)OCCO2 103282813 CWBXTSZZIXFNRG-IIBYNOLFSA-N 383.444 2.939 0 1 GFAF COCCN1C(=O)[C@@]2(N=C1N)c1cc(C3CC3)ccc1CC21CCC(OC)CC1 150075979 RXHPIRHKFAXUJM-CKRJSAQMSA-N 397.519 2.694 0 1 GFAF CCNc1ncc2c(n1)CN(C(=O)N[C@H](CO)c1ccc(F)c(Cl)c1)CC2 169329961 AUZZMSWDOWIGBS-MRXNPFEDSA-N 393.850 2.502 0 1 GFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@H]3C)n1 218937017 UFMPQBXIACFWKA-ZETCQYMHSA-N 394.382 2.739 0 1 GFAF Cc1nc2cccc(-c3cc4c(n3C)[C@H](CO)NC4=O)c2nc1NC(C)(C)C 222401248 GFNSSGCOEONQCH-HNNXBMFYSA-N 379.464 2.931 0 1 GFAF COc1nccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586945302 CXYVPXMFLJNFGW-UHFFFAOYSA-N 390.446 2.767 0 1 GFAF C[C@H](c1nc2c(O)nc(=N)[nH]c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128816 QZZNZUOVPBGLBZ-UWTATZPHSA-N 379.705 2.805 0 1 GFAF CCOC(=O)C[C@H](C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC 587441658 LNVHLXOIKRYIAC-VWLHBSKXSA-N 390.432 2.724 0 1 GFAF Cc1nn(C)c(C)c1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587754177 DBWYEMTZDJDFMI-RBHXEPJQSA-N 396.260 2.801 0 1 GFAF COc1cc2c(cc1OC)CN1[C@H](C(=O)O)Cc3cc4c(cc3[C@@H]1C2)OCO4 1857568439 VIZBTLYHJHIQTH-HOTGVXAUSA-N 383.400 2.541 0 1 GFAF O=C1[C@H]2C[C@@H](CN2C2CCOCC2)Oc2ccccc2N1Cc1ccccn1 2356298947 LMOQZLBBVDVTTC-AZUAARDMSA-N 379.460 2.629 0 1 GFAF CCN(CC)C(=O)[C@H]1CCC[C@@H](NCc2ccc(F)cc2)CN(C)C(=O)C1 2356299499 IYDKKCKJNGEEII-PKOBYXMFSA-N 377.504 2.801 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@H](O[C@H](C)CCCCC=CC(=O)O)O[C@@H]1C 2356345245 NKVDNSIHZYHTDR-ISIBIEBGSA-N 384.469 2.967 0 1 GFAF CCCO[C@@]12C[C@H]3C4=CCO[C@@H]5CC(=O)N6c7ccccc7[C@]1(CCN2C4)[C@@H]6[C@@H]53 2356542985 HSSPPKUPUVYOBZ-YNIMDCIOSA-N 392.499 2.847 0 1 GFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NC3CCC(F)(F)CC3)C[C@H](O)[C@H]2CO)n1 2356770932 LTOLZXYYIHXIBS-FJIDUMEYSA-N 397.510 2.842 0 1 GFAF Nc1c(C(=O)N2CCN(c3ccccc3)CC2)nnn1Cc1ccc(Cl)cc1 203467005 GITGAJKQFSVMCP-UHFFFAOYSA-N 396.882 2.524 0 3 GFAF CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(Cl)c1 101505603 VZBIHFDPWCGOCN-GJZGRUSLSA-N 379.888 2.526 0 1 GFAF C=C1C=C(C(F)F)n2ncc(C(=O)NCc3ccc(OC)c(OC)c3)c2N1 103115449 CEKDEBUNJBJAOI-UHFFFAOYSA-N 376.363 2.876 0 1 GFAF COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccn(C(F)F)c(=O)c1 64539921 XKMLYOGTLFCDCD-UHFFFAOYSA-N 390.342 2.831 0 1 GFAF COc1ccc2nc(CO[C@@H]3CN(Cc4ccc(OC)nc4)C[C@@H]3F)[nH]c2c1 2356302007 JSIJNCQFHGWLKR-MAUKXSAKSA-N 386.427 2.714 0 1 GFAF CC[C@H](O)CC[C@]1(CO)[C@H]2CCC3=C4[C@@H](CC3)[C@H](C(=O)OC)C[C@]41CN(C)C2 2356637756 DDDLFHVAWJOBHX-XAFQUIJGSA-N 391.552 2.758 0 1 GFAF 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CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ccc(C)n2)CC1 27983757 FKDWIVIFBSQCKQ-UHFFFAOYSA-N 398.507 2.642 0 1 GFAF CCCNC(=O)c1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 61929622 CXNUXLMRIYLOCU-INIZCTEOSA-N 383.448 2.769 0 3 GFAF CC(=O)Nc1cc2c(c(NC(C)=O)n1)N=C(c1ccccc1)[C@H](C)N2C(C)=O 26397533 YHYHQWNRXSSJJL-NSHDSACASA-N 379.420 2.874 0 1 GFAF Cc1nonc1COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 28711839 PZPZRVXQQPCERC-LRTDBIEQSA-N 399.447 2.622 0 1 GFAF Cc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110787263 PXXBCJNYKPSOBG-CABCVRRESA-N 381.413 2.904 0 1 GFAF Cc1nnc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(O)n2)s1 39981537 KFMZWLQKBXVYIW-UHFFFAOYSA-N 387.490 2.972 0 1 GFAF COc1ccc(-c2nc3n(c2Nc2ccc(F)cc2)CCN(C(=O)CN)C3)cc1 72110247 KPQJMZIHXXMVKZ-UHFFFAOYSA-N 395.438 2.742 0 1 GFAF COc1c2c(cc3c1OCO3)[C@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)OC[C@@H]1C2 14641202 CCJWJASNEQOVDI-NBHSMZAVSA-N 382.368 2.630 0 1 GFAF biogenic COc1ccc(Cn2nnnc2C(=O)CC(=O)c2c[nH]c3ccccc23)cc1 137567278 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BRFRZAYMJXHISF-ZDUSSCGKSA-N 396.513 2.692 0 1 GFAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(O)cc2[nH]1 587128685 QBQFDZUDLSMWMK-UHFFFAOYSA-N 377.326 2.692 0 1 GFAF COc1cc2c3c(c1)O[C@](c1ccncc1)([C@@H]1CCCN(C)C1=O)[C@@H](C2)C3=O 587445392 WIHBWLQAUSEPNN-HYFFOGBASA-N 378.428 2.602 0 1 GFAF Cc1c(O)ccc2c1[C@](Cc1nc(O)cs1)(C(C)(C)C)N[C@H](C(=O)O)C2 963511084 SZLKWJSDAQWTST-HXPMCKFVSA-N 376.478 2.946 0 1 GFAF CC1CCC(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)CC1 5067648 XEBMOJZDLAWZAK-UHFFFAOYSA-N 375.494 2.550 0 3 GFAF Cc1cc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C3)ccc1F 11996547 BMVAQXZUXQWHFH-QAPCUYQASA-N 386.398 2.639 0 1 GFAF CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3)n2C)n(CCC)c1=O 12405388 YADAAFDDAMXDEJ-FMIVXFBMSA-N 382.464 2.896 0 1 GFAF Cc1cc(=O)oc2cc(OCCOCCN3C(=O)C(=O)c4ccccc43)ccc12 1857543707 MMRBMSUCNFXECR-UHFFFAOYSA-N 393.395 2.726 0 1 GFAF CSc1ncnc2c1c1cc(Cl)ccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F 1857654652 VXWIMQMHHJTVQX-QZDOHJIMSA-N 383.832 2.549 0 1 GFAF COc1ccc2c(OCc3nnc4sc(-c5cnn(C)c5)nn34)ccnc2c1 1857766711 GXUPYZJWBBTOOA-UHFFFAOYSA-N 393.432 2.722 0 1 GFAF CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1[C@@H]2O)OCO4 13161960 RKJDHQCMJGIWCL-GFCCVEGCSA-N 380.838 2.934 0 1 GFAF CCOC(=O)c1c(NC(=O)Nc2cccnc2)sc2c1CCN(C(C)=O)C2 13443724 ZVOFJRXQHZRVPC-UHFFFAOYSA-N 388.449 2.868 0 1 GFAF NCCc1c[nH]c2ccc(CC[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cc12 13603451 ACBXQEAUXYCGPA-FQEVSTJZSA-N 376.460 2.722 0 1 GFAF CCn1c2ccccc2c2ccc(NC(P(=O)(O)O)P(=O)(O)O)cc21 13673779 ZOSNPRFURWBPQT-UHFFFAOYSA-N 384.265 2.865 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 13741016 MVELEQDHPIOVCZ-AABGKKOBSA-N 383.536 2.926 0 1 GFAF COc1cc([C@H]2Oc3cc4c(c(O)c3C(=O)[C@H]2O)C=CC(C)(C)O4)ccc1O 15203309 OCKDILXFKXBQJW-WOJBJXKFSA-N 384.384 2.968 0 1 GFAF biogenic CN(C)c1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 28523625 PLBRJYVRNDEBQU-NHCUHLMSSA-N 379.508 2.975 0 1 GFAF O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCNCC3)cc(O)c12 45391281 RCIBBWQBFRPYLU-UHFFFAOYSA-N 380.444 2.840 0 1 GFAF Cc1[nH]c(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)cc1Cl 73196627 QNIYISINHXWSSW-UHFFFAOYSA-N 396.278 2.523 0 1 GFAF CCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(-c2nnn[nH]2)ccc1F 84654661 HYVDOCLQRXISCM-UHFFFAOYSA-N 383.383 2.720 0 1 GFAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccncc3)cc21 95559208 CHTYZVHLUCTJRI-MRXNPFEDSA-N 382.416 2.911 0 1 GFAF Cc1c(C(=O)NCc2ccc(Cl)cc2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] 102794449 PWJRPBOVRMJWCY-UHFFFAOYSA-N 378.215 2.652 0 1 GFAF CC1(C)CC(=O)N(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O 139688458 PVGBDMPIUVQZRY-UHFFFAOYSA-N 383.423 2.668 0 1 GFAF OCCN1CCc2ccc(CN3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)cc21 139937013 BXCXZISLTZBGJO-OAQYLSRUSA-N 391.519 2.994 0 1 GFAF CCOC(=O)[C@H]1C(C(F)(F)F)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 169690639 UDGNMZFZZALZLC-CHWSQXEVSA-N 398.341 2.712 0 1 GFAF O=c1/c(=C\c2ccccc2)sc2n1[C@H](c1ccccc1)[C@@]1(O)CCCC[C@H]1N=2 195504098 LARPIEDAGFXNSD-GVERCWNQSA-N 390.508 2.635 0 1 GFAF CC(C)(NC(=O)c1ccc(N2CCCC2=O)c(OCC2CC2)n1)c1ncco1 206692861 YISFBFBOBXSWNA-UHFFFAOYSA-N 384.436 2.650 0 1 GFAF COc1ccc(OC)c([C@@H](C)NS(=O)(=O)NC(=O)OCc2ccccc2)c1 473129043 FCENVZQUPSLBLT-CYBMUJFWSA-N 394.449 2.526 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 586946002 FNBSVNYVEZTJMN-GFCCVEGCSA-N 392.868 2.736 0 1 GFAF N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Br)cc1 586997108 MWHBVSXJILSJFG-CYBMUJFWSA-N 384.241 2.544 0 1 GFAF Cc1c(I)cnn1[C@@H](C)c1nc2c(Cl)ncnc2[nH]1 587182896 UAKNOOCSBNEUOM-LURJTMIESA-N 388.600 2.725 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cnn(C)c2)N1 587762470 FIEJFPMEUNMNCW-DYZYQPBXSA-N 396.260 2.964 0 1 GFAF CCOC(=O)[C@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587767870 ZCBUYLVEQABSHO-BMLIUANNSA-N 396.260 2.663 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CN[C@H](C(=O)O)[C@@H]32)N1 587797380 SHGBAPUXOWTSAG-JFLNFAFNSA-N 397.288 2.790 0 1 GFAF COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cc(OC)ccc21 653790485 LTWYZPXBWQHZND-UHFFFAOYSA-N 383.404 2.521 0 1 GFAF O=C1OC[C@H](Cc2ccc3c(c2)OCCO3)[C@H]1Cc1ccc2c(c1)OCCO2 685935789 OJMUIANQXJLYDP-DLBZAZTESA-N 382.412 2.803 0 1 GFAF biogenic,in-vitro NC[C@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963165000 BDPXTOFZVUNHRD-CJNGLKHVSA-N 385.773 2.555 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4cccc(OC)c4C3)n2)c1 1772598116 XAGQZPRAUQKBMV-UHFFFAOYSA-N 390.447 2.546 0 1 GFAF COC(=O)C=C1CC[C@@H]2[C@H]([C@@H]1C)[C@H](O)C(=O)[C@@H]1[C@@](C)(C(=O)OC)CCC[C@]12C 2356589768 RRPIJHDEEYGWIX-MRTBILFFSA-N 392.492 2.677 0 1 GFAF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(=O)N(C)C 2356719567 BMVYGKJUDLKLFE-UHFFFAOYSA-N 375.377 2.696 0 1 GFAF CC1(C)[C@@H](O)CC[C@]2(C)O[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@@H]12 2356866114 VMFJYKZEDLREMS-USNOLKROSA-N 392.448 2.860 0 1 GFAF CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCC3)c21 2456189 RZKPCVJAUNSLPS-UHFFFAOYSA-N 387.299 2.533 0 3 GFAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccccc3)cc1)N[C@@]2(C)C(=O)OC 36386423 WWVRPXVHUNSBRE-FZONSQQESA-N 392.455 2.551 0 3 GFAF Cc1ccc(SC[C@H](CF)O[C@H](C)n2cnc3c(=O)[nH]c(N)nc32)cc1 1855799 QOGHWQPMXJWPAI-NEPJUHHUSA-N 377.445 2.676 0 1 GFAF Cc1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 3591440 OAXAIXIRIJLMBL-UHFFFAOYSA-N 393.418 2.783 0 1 GFAF COc1cc2c(c(O)c1OC)C[C@@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 6169437 FPYJVRGUUHPBBB-CYBMUJFWSA-N 385.416 2.899 0 1 GFAF biogenic COc1cc2nc(Cl)nc(Nc3ccc(S(N)(=O)=O)cc3)c2cc1OC 11756387 WDJAHURGRNMJIP-UHFFFAOYSA-N 394.840 2.691 0 1 GFAF COC(=O)c1ccccc1NC(=O)C1CCN(c2ncnc3onc(C)c23)CC1 20944654 HVVMWFQZNAFIQM-UHFFFAOYSA-N 395.419 2.568 0 1 GFAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@@H](NCC3CC3)CO[C@@H]12 25233618 HBKPBRKKLZFTFV-JJXSEGSLSA-N 386.370 2.788 0 1 GFAF biogenic O=C(O)c1cn(C2CC2)c2c(F)c(N3CC[C@]4(CCCN4)C3)c(F)cc2c1=O 26376939 LIEVRCWTSGGDMG-HXUWFJFHSA-N 389.402 2.645 0 1 GFAF CNCCNCc1cccc2c1[C@]1(O)CCc3c(c4cc(OC)ccc4n3C)[C@H]21 26575668 PVRCTIJZBSMYED-BJKOFHAPSA-N 391.515 2.775 0 1 GFAF N=C(N)c1cccc(C(=O)N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1 27769992 QECWDDCSLZBFTF-HXUWFJFHSA-N 386.455 2.758 0 1 GFAF O=S(=O)(c1cccc(Cl)c1)c1cccc2oc(N3CCNCC3)nc12 40391732 MFSZLULDGKDJNK-UHFFFAOYSA-N 377.853 2.724 0 1 GFAF O=C1N[C@H](Cc2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccccc1 95898440 YTMMXCOCLAUKDR-LEWJYISDSA-N 390.487 2.785 0 1 GFAF CCCN1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1=O 221237008 IBEJSLNZIGXEFJ-UHFFFAOYSA-N 394.479 2.866 0 1 GFAF COC(=O)c1ccc(O[C@@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 473100642 IZKLETPXYKZIMI-HXPMCKFVSA-N 376.405 3.000 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)cnc3[nH]2)CC1 586953597 VWIZMDNAYKIADC-UHFFFAOYSA-N 387.303 2.719 0 1 GFAF COC(=O)[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351277 TYCIGFLAQFYGPE-YRISNDGFSA-N 385.391 2.554 0 1 GFAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1[nH]cnc1C(=O)O)[C@@H](C2)C3=O 587437512 GGIQGHQOZKBUBW-LHSJRXKWSA-N 376.368 2.808 0 1 GFAF NC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576050 DWXDBPYVOBVSIQ-DENIHFKCSA-N 391.379 2.959 0 1 GFAF CCN1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(=O)OC)C1 587763163 XFJJZCWMRVUMEQ-YRILPIOLSA-N 399.304 2.833 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(-n2cnnn2)c1 587872041 HRAUOFCPZJWYIW-UHFFFAOYSA-N 378.367 2.752 0 1 GFAF Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1 653693460 UUNCSSVBRBKVQA-UHFFFAOYSA-N 381.779 2.819 0 1 GFAF CC(C)c1nn(C)c2c1[C@](c1c[nH]c(C(N)=O)c1)(c1ccccc1F)NCC2 962925335 ZDTMBCWAMUMZQO-NRFANRHFSA-N 381.455 2.547 0 1 GFAF COc1cccc2cc3c(nc12)[C@]1(C=C(C)N(C[C@H]2CCCO2)C(=O)C1)NCC3 963064016 FXNSWVZGTVZPJG-WZONZLPQSA-N 393.487 2.900 0 1 GFAF NC[C@@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963165001 BDPXTOFZVUNHRD-CZUORRHYSA-N 385.773 2.555 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CCC(COCC4CC4)CC3)n2)c1 1772649635 KSWAXFQFWKBRAY-UHFFFAOYSA-N 396.495 2.618 0 1 GFAF O=C(NC[C@@H]1Cn2cc(-c3ccccc3)nc2CO1)c1ccc2c(c1)OCO2 2356302589 ZKEOVNHPHNCKLG-MRXNPFEDSA-N 377.400 2.608 0 1 GFAF C[C@H](NC(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO)c1ccccc1 2356699333 OKOQZWLTLATVKR-RBSYORDBSA-N 389.536 2.801 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 2356740771 JDQWKADNJIUBND-BLAJNEHFSA-N 390.520 2.575 0 1 GFAF Cc1c(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cnn1C 11700607 VRGUPTPSKZYNPY-KRWDZBQOSA-N 378.480 2.765 0 3 GFAF O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(c2ncccn2)CC1 4355795 YYZMVWKHRZXBDA-UHFFFAOYSA-N 379.464 2.568 0 3 GFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356418935 BIEADAHRODWPEW-BFCQFXIVSA-N 388.504 2.783 0 1 GFAF Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccc4[nH]c(=O)sc4c3)ccc12 4732677 VSFDBSBFWROFFK-UHFFFAOYSA-N 388.426 2.805 0 1 GFAF C[C@]1(O)CCN(Cc2cncnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289426 VQRMGEKHQDZJGS-FUDKSRODSA-N 394.519 2.850 0 1 GFAF Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)cc1 110754556 NUVQKNOUYVWKKD-OALUTQOASA-N 382.435 2.647 0 1 GFAF O=C(Nn1cnnc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 29126692 XNRXMXKXSYOYEB-UHFFFAOYSA-N 379.807 2.888 0 1 GFAF O=C(C1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 72177411 IRMLAZVFEBKCLD-CEXWTWQISA-N 381.476 2.598 0 1 GFAF O[C@@H]1[C@H](NCc2ccccc2Cl)[C@H]2CO[C@@H](O2)[C@@H]1n1cnc2ccccc21 2356597980 ATLOEUDKUOMHGR-WAPOTWQKSA-N 385.851 2.505 0 1 GFAF CC1(C)CCC[C@]2(CO)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@H]12)C(=O)OC3 2356717368 PTADPNLCURKKPJ-HMFYCAOWSA-N 386.444 2.980 0 1 GFAF COc1c2c(cc3c1[C@H](CC1=CC(N)=C4C=CC=C[C@H]4N1C)N(C)CC3)OCO2 2356818462 DUAYJLHUITVMLT-MOPGFXCFSA-N 393.487 2.880 0 1 GFAF CC1(C)C=Cc2c(ccc3c2O[C@@H]2COc4cc5c(cc4[C@@]2(O)C3=O)OCO5)O1 4716538 UMORYJJPSIXKBM-GCJKJVERSA-N 394.379 2.823 0 1 GFAF biogenic CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CNC(C)=O 95895054 VHZPWRJIRZNYCG-TUNNFDKTSA-N 384.451 2.694 0 1 GFAF Cc1nc(N2CC(c3nc4ccc(F)cc4[nH]3)C2)cc(-n2nc(C)nc2C)n1 143129352 ILLKOTAFFCGFLD-UHFFFAOYSA-N 378.415 2.602 0 1 GFAF COc1ccc(Cn2cc(C(=O)NC(C)=O)c(=O)c3c(F)ccc(F)c32)cc1 96906820 GADZXBTWWPIOPZ-UHFFFAOYSA-N 386.354 2.613 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(n2)NC(=O)CO3)N1 587792148 LMOWXFQWLBXPCT-BCTVWOGZSA-N 392.228 2.938 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1c(N(C)C)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O 587437792 JZBBBKGAMKXRES-IFXJQAMLSA-N 391.427 2.566 0 1 GFAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)C3CCOCC3)nc2c1 586912931 HWGVUDQQRCUCPE-AWEZNQCLSA-N 383.242 2.962 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2CC[C@]3(C[C@@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587595863 PDTCWXVGAAWUKM-AHEQMIRFSA-N 395.411 2.565 0 1 GFAF COc1cc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1OC 587202112 FNZSMSGQHNXJKE-OAHLLOKOSA-N 399.403 2.502 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc4nc(O)[nH]c4c1)[C@@H](C2)C3=O 587438322 NOCVHEVZQBBKCT-ZSEKCTLFSA-N 393.399 2.812 0 1 GFAF CC(=O)C[C@@]1(c2ccc3c(c2)OCCO3)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963031975 PCJWDXAULDICGS-WNSKOXEYSA-N 392.455 2.734 0 1 GFAF COc1ccc(CCNc2c(C)nc3c(N4CCOCC4)nccn23)cc1OC 1772615691 RWGKODLNQHWDIS-UHFFFAOYSA-N 397.479 2.546 0 1 GFAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@@H]1c1ccc(Cl)cc1 1857569643 OEXNYRJYLLYHOY-QGZVFWFLSA-N 393.852 2.620 0 1 GFAF OC[C@H]1O[C@@H](c2nc3ccc(-c4nc(-c5ccccc5F)no4)cc3[nH]2)C[C@@H]1O 1857597211 QTHBLUJFZOCSSP-GVDBMIGSSA-N 396.378 2.602 0 1 GFAF Cc1ccc(C[C@@]2(CCC(=O)NCCOc3cccnc3)CCC(=O)N2)cc1 14881064 MSNSADKYSSWSMS-JOCHJYFZSA-N 381.476 2.557 0 1 GFAF CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C)CC(=O)N21 15954696 CONFCMCCTXKQDG-XMSQKQJNSA-N 389.455 2.881 0 1 GFAF biogenic CCOC(=O)c1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 28475265 ZWAZVUMHIVXLQM-UHFFFAOYSA-N 398.440 2.873 0 1 GFAF CC(C)OC(=O)C(=Cc1cnn(Cc2ccccc2)c(=O)c1)C(=O)OC(C)C 28825830 ZJSNXLAUYKLPDW-UHFFFAOYSA-N 384.432 2.578 0 1 GFAF CN(C)CCOc1cccc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c1 45245259 QEPARSUKSLKMMO-UHFFFAOYSA-N 375.428 2.676 0 1 GFAF O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 82205925 OEGMIQJWIPCHTR-IAGOWNOFSA-N 384.455 2.929 0 1 GFAF Cc1ccc(N2C(=O)[C@H]3CN(C)[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 102899136 ZPKWWRSEUAPMJU-XXHMAFKTSA-N 395.846 2.547 0 1 GFAF Cc1ccccc1N[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@@H]1c1ccccc1 225893210 DITQXHOILRJOOM-UYAOXDASSA-N 396.516 2.997 0 1 GFAF N[C@H](N=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587185901 YIPHOQPRTLUWNJ-GFCCVEGCSA-N 379.161 2.953 0 1 GFAF Cc1cc(C)c2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c1 587186182 TWMCMSJCTIJGSP-UHFFFAOYSA-N 396.188 2.727 0 1 GFAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(F)cc(Br)c3[nH]2)c1 587260619 WHWNMJUHOACITK-LBPRGKRZSA-N 377.217 2.806 0 1 GFAF COc1cccc([C@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807744 MATKNIZDJXWZGQ-MGNBDDOMSA-N 396.256 2.685 0 1 GFAF CCN(c1ccc(-c2csc([C@@H](C)Cn3cncn3)n2)cc1)S(C)(=O)=O 587923485 SHJCQVMKQNXCCF-ZDUSSCGKSA-N 391.522 2.991 0 1 GFAF Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(Cl)cc2)C3=O)n1 653758330 HSIXPMVWFLNYTM-UHFFFAOYSA-N 383.795 2.780 0 1 GFAF CN1CCN(c2ccc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)o2)CC1 962728269 DMGKWJBDCTZJOX-CRAIPNDOSA-N 393.409 2.767 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@](CO)(c1ccc(C(F)(F)F)cc1)NCC2 962931112 ZYOJPZVOSMBOGB-IBGZPJMESA-N 378.394 2.789 0 1 GFAF CS(=O)(=O)Cc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 1772584431 MHYAOLSAOUTBMD-HXUWFJFHSA-N 389.517 2.767 0 1 GFAF CN1CCc2c(sc3c2c2ncnn2c(=O)n3Cc2ccc(Cl)cc2)C1 1772602371 AXPVGJNPJSMCLA-UHFFFAOYSA-N 385.880 2.795 0 1 GFAF CCOC(=O)c1c[nH]c2ccc(C)cc2c1=Nc1cccc(S(=O)(=O)NC)c1 1911578955 CBDVRTRNQMTHIC-UHFFFAOYSA-N 399.472 2.794 0 1 GFAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@H]2NC(=O)c2cc3ccccc3s2)cc1 2356457934 CHUNGXOXXUUVIM-FVCZOJIISA-N 383.469 2.918 0 1 GFAF COc1ccc(C(=O)NC2CCN(CC(=O)Nc3cccc(OC)c3)CC2)cc1 4908864 ONCHMMYHXNWZNH-UHFFFAOYSA-N 397.475 2.537 0 3 GFAF CC(C)(C)NC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccc2c(c1)OCO2 169304967 CKUCLLDIODRNKL-FQEVSTJZSA-N 396.443 2.792 0 3 GFAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@@H](CO)Cc1ccccc1 770864 ZSJHHFKLKWVXPJ-VGSWGCGISA-N 382.460 2.546 0 1 GFAF O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)NCc1cccs1 4660645 AGWSADOVEAPRBT-UHFFFAOYSA-N 397.485 2.579 0 3 GFAF COc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110652199 MECPUUIBKLQCNP-HUUCEWRRSA-N 397.412 2.604 0 1 GFAF Cc1nnsc1C1=NN[C@@H]2SC(c3cccc(OC(F)(F)F)c3)=NN12 103206389 UTOUCCMOLKNTBY-LBPRGKRZSA-N 386.384 2.704 0 1 GFAF COc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O 66104964 VHRWFKCDPVKNGE-UHFFFAOYSA-N 386.477 2.668 0 1 GFAF O=C(Nc1cccc(C(F)(F)F)c1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 61930763 POUYXVHDOBACMR-YNEHKIRRSA-N 388.367 2.597 0 3 GFAF CC(C)Cn1c(CN)c(-c2ccccc2)c2ccc(OCC(N)=O)cc2c1=O 72104872 XNACBBGLIAJNJM-UHFFFAOYSA-N 379.460 2.647 0 1 GFAF CCc1nnc(SCC(=O)c2ccccc2)n1N1C(=O)c2ccccc2C1=O 84707776 MNQOEKMMWCMWBQ-UHFFFAOYSA-N 392.440 2.748 0 1 GFAF O=C(C(=O)N1CCN(C(=O)CC2CCCCC2)CC1)c1c[nH]c2ccccc12 45288584 BBNFVDVVYLDRQA-UHFFFAOYSA-N 381.476 2.992 0 1 GFAF COc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1OC 45496140 RQRYRSFXCXFBLE-UHFFFAOYSA-N 386.429 2.713 0 1 GFAF C[C@@H](O)CN1CCN(CC[S@](=O)C(c2ccccc2)c2ccccc2)CC1 224984187 NHPORSWAQBHGFF-WINIVTDRSA-N 386.561 2.523 0 1 GFAF CC(=O)c1ccc(NC(=O)N2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)cc1 25429324 ZSVZAYYIIHCFAL-GOSISDBHSA-N 392.415 2.574 0 1 GFAF biogenic O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cncnc2)ccc1=O 25435761 LTXKCTRQMDZLIJ-KGLIPLIRSA-N 378.457 2.626 0 1 GFAF biogenic CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc(F)cc3)C[C@@H]21 95893673 GNSWPWOIIGOOPU-XUVXKRRUSA-N 397.450 2.733 0 1 GFAF CN(C)C(=O)c1ccc(C2=NCc3ccnc(OC4CCOCC4)c32)cc1F 96176026 NPEMOXAXCHGYDS-UHFFFAOYSA-N 383.423 2.831 0 1 GFAF CCN(CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]2(C)CCc1ccccc1 96909515 CCYYRIRDVPAGJO-MBSDFSHPSA-N 398.503 2.569 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(F)cccc3[nH]2)cc1 586946818 QGKJZAKBUGDVLY-CYBMUJFWSA-N 375.425 2.826 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCCC1)(C1C(=O)OC(C)(C)OC1=O)O2 587407130 AHVDSEULJZMEEF-OAQYLSRUSA-N 387.432 2.924 0 1 GFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587225365 QDIQIEYGSQFJCG-SNVBAGLBSA-N 375.331 2.968 0 1 GFAF O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCc1ccccc1Cl 201470465 YBXBHTIUYGQNQN-UHFFFAOYSA-N 386.835 2.593 0 3 GFAF CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 203472389 VYCZIVFMGOQQKU-WZONZLPQSA-N 396.487 2.933 0 3 GFAF O=C1c2cccn2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Cl)c(Cl)c1 606113 RAAQRCNECYMLHM-KRWDZBQOSA-N 392.198 2.560 0 1 GFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 4593138 ZZTMQFYXUCRZOR-FTUNRGFVSA-N 395.436 2.766 0 1 GFAF Nc1ncnc2c(CN3C[C@H](CSc4ccc(Cl)cc4)[C@@H](O)C3)c[nH]c12 11686335 MZZBHZOHYGEGEE-DOMZBBRYSA-N 389.912 2.779 0 1 GFAF in-vitro CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Cl)cccc3nc2-1 13832876 JAIAKOFIBHDLCA-FQEVSTJZSA-N 382.803 2.733 0 1 GFAF CC(=O)O[C@H]1C[C@@H](O)[C@]2(C)C3=C(CC[C@@H]2[C@]1(C)CCC(=O)C(C)C)COC3=O 15116226 XAHJOUICFLJBJC-XPMXXILHSA-N 392.492 2.964 0 1 GFAF Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccnc3)c12 27980615 LDWPSLHTZWBZNQ-UHFFFAOYSA-N 385.431 2.568 0 1 GFAF CN1CCN(C2(CNC(=O)c3ccccc3Cl)Cc3ccccc3C2)CC1 72177360 FUFRFDSLHONUPN-UHFFFAOYSA-N 383.923 2.855 0 1 GFAF CCn1c(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)n[nH]c1=S 84587748 XXBLGSVNTHIXLC-UHFFFAOYSA-N 382.449 2.606 0 1 GFAF O=C(c1cccc(C(F)(F)F)c1F)N1CCn2c(Br)nnc2C1 95566067 WCWQGHPETFTXOK-UHFFFAOYSA-N 393.138 2.855 0 1 GFAF Cc1cccc([C@H]2C[C@H]2NCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1 95592861 AMEMBWOWTMXVHT-NMIHRBCNSA-N 380.536 2.573 0 1 GFAF COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)ccc1O 105518560 VJXYCGBOCOGNJF-KGRLDLLASA-N 399.443 2.948 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)[C@@H](C)N(Cc3ccccc3)C2=O)cn1 115731516 DTORSKIHKJYASR-CQSZACIVSA-N 379.420 2.894 0 1 GFAF CC1(C)Oc2ccc(-c3ccc4nonc4c3)cc2[C@@]2(COC(N)=N2)C12COC2 149217822 PKUHVJVJHBYAMJ-NRFANRHFSA-N 392.415 2.618 0 1 GFAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@H](N3CCC[C@H]3C)C2)cc1 261089831 DHUOTSJELWOUBC-TYCQWZJGSA-N 384.524 2.699 0 1 GFAF CN(Cc1nc2cc(F)cc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 586928509 DKWZGDQVJQAKQU-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF COC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2n1 586997736 SIHIRKXJDBIBSN-LLVKDONJSA-N 375.226 2.750 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 587162159 DSURJXZVRJORPN-UHFFFAOYSA-N 375.425 2.768 0 1 GFAF Oc1nc(O)c2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2n1 587166529 VODLKUNNLDHUGH-UHFFFAOYSA-N 382.380 2.870 0 1 GFAF CCS(=O)(=O)c1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 587246988 KWQATVLDHARCHF-HXUWFJFHSA-N 385.489 2.708 0 1 GFAF Cc1nn(CCO)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578891 BSMWVRRFUBDCDE-RXVVDRJESA-N 380.400 2.901 0 1 GFAF COc1cccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599864 IJBJAIHBIBULMS-GCJKJVERSA-N 394.379 2.569 0 1 GFAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](C)C3=CC(=O)O[C@]3(O)C[C@@H]2[C@]2(C)CCCC(C)(C)[C@@H]12 618006277 NAUXGSWGHJVNHI-DPLSTPSKSA-N 392.492 2.569 0 1 GFAF biogenic O[C@H]1CCCCCCCN=C2N=c3c(c(-c4ccccn4)cn3CCCC1)=CN2 1772580054 NGJAXUZGEAUCFH-SFHVURJKSA-N 393.535 2.752 0 1 GFAF CS(=O)(=O)N1CCC(c2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1 2910760 QHBFVOQLYMJILD-UHFFFAOYSA-N 375.372 2.894 0 3 GFAF Cc1ccccc1[C@@H]1CC(=O)C[C@H](c2ccccc2C)C12C(=O)NC(=O)NC2=O 1860529 LIOTUXHAZLUHQQ-KDURUIRLSA-N 390.439 2.886 0 1 GFAF C[C@H]1C[C@H](C)CN(C(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)C1 2467833 RITARYBFWINXKS-STQMWFEESA-N 377.872 2.628 0 1 GFAF CCNC(=O)Nc1nc2cc(-c3ccn4ncnc4c3)c(=O)n(C(C)C)c2s1 103264848 YEDSLFIZDGXUKE-UHFFFAOYSA-N 397.464 2.890 0 1 GFAF CC[C@H](C(=O)OC)c1cc(=O)n2c(c1C(=O)OC)-c1nc3ccccc3cc1C2 27421164 CFBYBQGEALOGRN-AWEZNQCLSA-N 392.411 2.878 0 1 GFAF CN1C(=O)CN2Cc3cc(OCCCC(=O)N(C)C4CCCCC4)ccc3N=C21 26941912 QARLLCZTDNPQOA-UHFFFAOYSA-N 398.507 2.912 0 1 GFAF COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1 26161406 LSXHXXWLWSECTR-UHFFFAOYSA-N 385.508 2.527 0 1 GFAF CC(=O)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](O)C3 2356706194 WQQALAOCZONREL-CBENABIVSA-N 376.493 2.941 0 1 GFAF CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CCCC3(C)C)CC2)c2ccccc21 49051404 RPHDOCBCOFZZFY-IBGZPJMESA-N 384.524 2.765 0 1 GFAF COc1cc(O)c(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1OC(C)=O 14436476 IPBWNGKZMSLFJO-UHFFFAOYSA-N 388.328 2.519 0 1 GFAF biogenic Cc1cccnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl 142657318 LPMQFHSIDLQLRN-UHFFFAOYSA-N 380.901 2.623 0 1 GFAF COC(=O)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c1ccoc1 95910080 JPHIUYRTIDMLOB-HPKAUUQGSA-N 378.465 2.970 0 1 GFAF biogenic,in-vitro CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)C1CC1 95668664 BIAFXNFRLBGJGW-QZNHQXDQSA-N 392.499 2.945 0 1 GFAF CN1C(=O)[C@@]2(C)S[C@@]1(c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 254076143 HVPHFUKVAWYJPT-LRGYGIHKSA-N 378.453 2.623 0 1 GFAF COC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)n2ccnc2n1 299860646 GXOPJZJPEBDYNA-UHFFFAOYSA-N 389.419 2.857 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(COC4(CN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O 587440512 ATBMNHRNTNBWCX-QKKBWIMNSA-N 387.432 2.591 0 1 GFAF Cc1cc([C@@H]2CN(C(=O)c3ccc(F)c(F)c3)CC(F)(F)C2)n2ncnc2n1 584905416 OBFMVPFVQFWXGP-LBPRGKRZSA-N 393.344 2.976 0 1 GFAF in-vitro O=C1COc2cc3[nH]c(C(F)(Br)Br)nc3cc2N1 587087270 NHXZTHQRGIXWSF-UHFFFAOYSA-N 378.983 2.763 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1C=C(C(=O)O)NN1c1ccccc1)O2 587394676 YPPCTKFFUTUMIF-GHTZIAJQSA-N 379.416 2.663 0 1 GFAF COC(=O)/C(=C\N(C)C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587758881 ZAHREFYDDWHPCX-GYOMEYDRSA-N 385.277 2.956 0 1 GFAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(=N)[nH]cc4[nH]3)cc2)c1C 586947318 LUSUMLVYPWNSKQ-UHFFFAOYSA-N 394.460 2.850 0 1 GFAF NC(=O)c1c(O)ncc2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587507909 DBOYYBUHHOMQAP-JOCHJYFZSA-N 378.428 2.962 0 1 GFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587193455 AQCAROOBJUUVJI-GFCCVEGCSA-N 380.420 2.918 0 1 GFAF COC(=O)c1n[nH]c(-n2cccc2[C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)n1 963101284 JTAYGNCIVBVQSI-SUMWQHHRSA-N 381.411 2.631 0 1 GFAF CCOC(=O)[C@H](C(F)(F)F)[C@@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963231803 ZEYHHXZFVRXEKV-MPGHIAIKSA-N 396.365 2.791 0 1 GFAF CC1=C[C@]2(c3c(Cl)ccc4c3CCN2[C@@H]4C(=O)O)[C@@H](c2cc[nH]n2)C(=O)O1 962577171 VTDJOROMTSQKEW-BXWFABGCSA-N 385.807 2.500 0 1 GFAF COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1[C@H]1NCCc2ccc(O)cc21 963329558 OOLIGUTWUFESLN-IBGZPJMESA-N 382.416 2.912 0 1 GFAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC)c(F)c3F)c12 169697374 JYEHNGRBCCXRGK-UHFFFAOYSA-N 385.378 2.829 0 1 GFAF Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@H](N)C1 205243722 XWOSSDMMJDYDBX-HNNXBMFYSA-N 388.479 2.656 0 1 GFAF COc1cc([C@H]2c3ccccc3C(=O)N3C=CN(C(C)=O)C[C@@H]23)cc2c1OCO2 591619 XXMYEEZJCBJUQK-PXNSSMCTSA-N 392.411 2.714 0 1 GFAF biogenic CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 2492257 DNFVONRVYOYMJG-QGZVFWFLSA-N 389.496 2.990 0 1 GFAF CCOC(=O)CCc1c(C)nc2nc(NCc3cccc(Cl)c3)nn2c1O 15668930 ZWPUIVWOXVFCLC-UHFFFAOYSA-N 389.843 2.900 0 1 GFAF OCC(CO)N1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28016838 FPMPUNRITMVLEJ-IFMALSPDSA-N 388.458 2.512 0 1 GFAF CCOC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 28109272 NGDXDQSSXJGFDM-ZDXOVATRSA-N 383.488 2.829 0 1 GFAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccccc2)O1 28974180 HGRLIODMXYZECK-PGGUUEOZSA-N 389.352 2.754 0 1 GFAF Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)C2C(N)=NC(=O)N=C2N)cc1 49744772 WQYUNOPGJPUGOV-MRXNPFEDSA-N 390.443 2.840 0 1 GFAF Cc1nn(-c2ccc(F)cc2)c2nc(N3CCN(C(=O)C4CC4)CC3)sc12 65296931 XQPZEYCFJRDOAF-UHFFFAOYSA-N 385.468 2.988 0 1 GFAF O=C(C[C@@H](O)C(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1 71329350 UMVPUMMSCIDRSJ-LLVKDONJSA-N 375.372 2.817 0 1 GFAF CNc1ccc2c(c1)OC(C)(C)C1=CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@@H]12 72108623 ALXHEVBDTDYREX-LJQANCHMSA-N 390.443 2.543 0 1 GFAF COc1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@H](C)CN3)cc1 82210772 VJOFJFKWBVSBPT-OAHLLOKOSA-N 392.459 2.666 0 1 GFAF NC(=O)Nc1sc(-c2ccc(F)cc2F)cc1C(=O)N[C@H]1CCCNC1 84689328 DWASDKDOIWOGQZ-JTQLQIEISA-N 380.420 2.666 0 1 GFAF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(OC)cc2)=N1 101341300 MRIGXBXXAGIPMT-DOTOQJQBSA-N 390.395 2.652 0 1 GFAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1 103227295 IQZGQZRIRWWXMX-DBVUQKKJSA-N 397.544 2.989 0 1 GFAF COc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3ccc(F)cc3)c2c1 114346512 IWGIUZSSSYNTCU-QGZVFWFLSA-N 383.427 2.591 0 1 GFAF COc1cccc(-c2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)[nH]n2)c1 150216446 IJUUSLZSQSEYSR-FQEVSTJZSA-N 378.432 2.999 0 1 GFAF CCOC(=O)[C@H]1C(C)=Nc2nc(SC)nn2[C@@H]1c1ccc(C(=O)OC)cc1 169688404 WLUJAGFOOWEHAM-UONOGXRCSA-N 388.449 2.661 0 1 GFAF C[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1nc(=O)c2cnc(-c3cccnc3)n2[nH]1 205433832 QLHVOVBIRWGIOW-QAPCUYQASA-N 386.459 2.715 0 1 GFAF O=[S@@](Cc1nc2c(I)cnc(Cl)c2[nH]1)CC1CC1 586961031 ZQSGYJXPHNVXRI-GOSISDBHSA-N 395.653 2.875 0 1 GFAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586963573 OMQBEYFYIGFJHR-GFCCVEGCSA-N 380.451 2.857 0 1 GFAF CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442483 YFGCYSPIZCFTOE-SPLOXXLWSA-N 378.384 2.778 0 1 GFAF FC(F)(F)c1ccc(Nc2cc3nc(CN4CCOCC4)[nH]c3cn2)nc1 1857759960 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1857628759 IBPHOFQORIDWJH-UHFFFAOYSA-N 380.471 2.594 0 1 GFAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC(C)(C)O2 2487765 NMSIYKGEEBHGJH-WMZOPIPTSA-N 376.497 2.824 0 1 GFAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCCC(=O)OC)CCC2 14966528 KOZVNMWDJGMEPW-UHFFFAOYSA-N 383.496 2.966 0 1 GFAF C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO 15449378 VWVSBHGCDBMOOT-CHFRRVAOSA-N 376.468 2.781 0 1 GFAF COc1ccc(C2=NN(CCn3ccnc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26572907 DYMATXSIQRNSJP-SJORKVTESA-N 382.464 2.953 0 1 GFAF Cc1cc(C)c(S(=O)(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C(N)=O)c(C)c1 35794462 QYMOVOFGRNIHMQ-IBGZPJMESA-N 397.500 2.694 0 1 GFAF Nc1cccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2Cc1ccsc1 45319369 DVMJQHFIJCSSMK-UHFFFAOYSA-N 375.346 2.791 0 1 GFAF Cn1c2c(c(=O)n(C)c1=O)[C@H]1C3=Cc4ccccc4O[C@@]3(C)CC[C@H]1C(C)(C)O2 73297406 LOOQYLIFZUHSDC-HBAYXTBCSA-N 394.471 2.983 0 1 GFAF NCCOC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 82069776 HXTNUAXMFVRIGS-UHFFFAOYSA-N 381.457 2.856 0 1 GFAF CCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205030 GYDFJTYBEHJZOJ-KRWDZBQOSA-N 380.448 2.662 0 1 GFAF O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 95893653 LBULXBMGSONBTN-ZLNRFVROSA-N 392.499 2.789 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(C)=O 95894952 XKSXBKSIMCJEBG-BDTNDASRSA-N 395.503 2.738 0 1 GFAF Cc1occc1C(=O)Nc1cnn(CC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)c1 102131425 ILJUYMMANAWVIB-IIDMSEBBSA-N 380.448 2.755 0 1 GFAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)C1CCCC1 587225314 KGNCHJBTTBMOGP-OAHLLOKOSA-N 394.497 2.966 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587383056 XAXVUVOPJLXDDN-HXUWFJFHSA-N 389.354 2.848 0 1 GFAF CCOC(=O)C1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 587406765 FDSGFJVSOOKAIO-NRFANRHFSA-N 381.384 2.983 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCN(C)CC3)nc1)CC2=O 587474479 HLYDHQYMSYWOHD-IBGZPJMESA-N 382.464 2.593 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3[C@@H](C(=O)O)NC[C@H]32)N1 587799057 VZTJJJJPYJISPX-JCYYLGHZSA-N 397.288 2.790 0 1 GFAF Cc1cc(C)c2c(=O)n(CCC(=O)N3CCN(c4ccccc4)CC3)sc2n1 1772598273 OESOLZUEADXPII-UHFFFAOYSA-N 396.516 2.814 0 1 GFAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccccc5)nc4)c12)CCC3 1857554908 RRBXOPVUFLRSQC-UHFFFAOYSA-N 384.443 2.898 0 1 GFAF CCN(CC)C(=O)[C@H]1CCC[C@@H](NCc2ccc(OC)cc2)CN(C)C(=O)C1 2356529087 SOOVWFBYKIYBLN-RBUKOAKNSA-N 389.540 2.670 0 1 GFAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356727735 RUPBFDUQQBBEAU-VIZSFHNOSA-N 378.472 2.920 0 1 GFAF COc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1 1344853 ZVNOPWORKUQDMY-UHFFFAOYSA-N 375.469 2.503 0 3 GFAF O=C(Nc1ccccc1)NC1CCN(Cc2nnnn2C2CCCCC2)CC1 4910284 VQKNAOABWLZUDP-UHFFFAOYSA-N 383.500 2.964 0 3 GFAF Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)cc1 22458158 ISMOUKGBNGPKBE-LPHOPBHVSA-N 393.578 2.712 0 3 GFAF COCCNC(=O)[C@@]1(C)CCCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 61908446 KVKZMNFUYRJCOF-QFIPXVFZSA-N 384.524 2.854 0 3 GFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4152344 BHCQIDIIDHSOBC-QMIHWGKISA-N 385.464 2.836 0 1 GFAF CCNC[C@](O)(CCCCCCCCC[C@@H]1CC[C@H](O)[C@H](C)N1)CC(=O)O 2356291826 BBHSCULAZJXZJF-JTJHWIPRSA-N 386.577 2.814 0 1 GFAF Cc1cc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc(C)c1OCCN 28966978 ALHYFFAGXPCEOS-UHFFFAOYSA-N 387.455 2.869 0 1 GFAF COc1ccc(CN2Cc3c(nc4cc(-c5ccco5)nn4c3O)C2=O)cc1 29128301 BJUHCJODIGJHRN-UHFFFAOYSA-N 376.372 2.860 0 1 GFAF C[C@H]1[C@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1 27418817 FTGMDTQIZXVTPO-MGPLVRAMSA-N 385.370 2.503 0 1 GFAF COc1c(O)cc2c(c1OC)O[C@H]1c3cc(O)c(OC)c(OC)c3OC[C@H]21 14438255 OADZLSQNPZPBEF-MFKMUULPSA-N 376.361 2.742 0 1 GFAF biogenic Cc1ncc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cn1 45300161 FBJORBQVOXYGJP-FZKQIMNGSA-N 393.495 2.569 0 1 GFAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)cn2)c1F 220745287 UZGKAMRLRYXEGJ-IINYFYTJSA-N 392.862 2.992 0 1 GFAF Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4ccncc4)cn23)n1 95555190 LDNZOZBLULAYOM-UHFFFAOYSA-N 384.407 2.606 0 1 GFAF O=C1COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2N1 587591458 CLTGJZQCPAHZIL-YLJYHZDGSA-N 390.351 2.821 0 1 GFAF O=C(NCCc1nc2ccc(CN3CCOCC3)cc2[nH]1)OCc1ccccc1 587228380 QDTSLHIQAXJVCG-UHFFFAOYSA-N 394.475 2.864 0 1 GFAF C=CN1CC[C@@H]([C@@]2(c3cnccn3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475231 NJADLKYEGOHHKA-OPAMFIHVSA-N 393.443 2.987 0 1 GFAF NC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCCC2 1772575773 XNGFBSQNUPKFGT-UHFFFAOYSA-N 399.516 2.810 0 1 GFAF Nc1ncnc(Nc2cc(Cl)c3n(c2=O)C2(CCCCC2)NC3=O)c1Cl 1772646000 GBZIOQYCTAFXKL-UHFFFAOYSA-N 395.250 2.631 0 1 GFAF NC(=O)C1CCN(C(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166707054 JSHJBHWDLCNXIV-UHFFFAOYSA-N 392.459 2.572 0 1 GFAF Cc1nnc(N2CCC(C(=O)N3N=CC[C@H]3c3cc(F)cc(F)c3)CC2)o1 1857597791 XNZJMXBRWHMCOG-INIZCTEOSA-N 375.379 2.832 0 1 GFAF CS(=O)(=O)n1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cn1 1857607948 JUTODSVQTUUMCO-UHFFFAOYSA-N 384.385 2.634 0 1 GFAF Fc1cccc([C@@H](CN2CCN(c3cnccn3)CC2)NCc2ccccn2)c1 116237871 AXYISTPQBOLRRQ-OAQYLSRUSA-N 392.482 2.664 0 1 GFAF CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(O)cc1)C(C)(C)C 13588284 GUFNCNYRHRLJQO-CRAIPNDOSA-N 378.469 2.760 0 1 GFAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc(C(F)(F)F)c1 13612280 BRGOJUQZYBLQOM-UHFFFAOYSA-N 389.289 2.856 0 1 GFAF CC(=O)NCC[C@@H]1CN(C(=O)/C=C\I)c2ccccc21 17256288 MHGHKECOHLJWOC-XYLWRLHESA-N 384.217 2.592 0 1 GFAF CN1CCN(CCCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)CC1 20331132 YDNGMVLEYDOMSA-UHFFFAOYSA-N 386.927 2.744 0 1 GFAF CN(C)CCNC(=O)/C=C/c1csc(/C=C2\Oc3ccccc3NC2=O)c1 40864966 UYILMQKTDMIPLU-COKRBVQGSA-N 383.473 2.811 0 1 GFAF CCCC[C@H](NC(=O)[C@H](CCCC)NC(=O)OCc1ccccc1)C(=O)CO 82061043 CVXFMJDCNAWQSG-ROUUACIJSA-N 392.496 2.708 0 1 GFAF O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 95893435 WNFOQKHCSKOLHA-PWRODBHTSA-N 391.471 2.588 0 1 GFAF O=S(=O)(Nc1nc(C2CCC2)n[nH]1)c1cnccc1N[C@H]1C[C@@H]2CC[C@@H]1C2 102828945 CWSNZLKGGODPSS-KYOSRNDESA-N 388.497 2.869 0 1 GFAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NCCO)[C@@H]2C)OCO4)c1OC 105520966 CKUCWPTUZQKDGP-PCFDJQJPSA-N 387.432 2.501 0 1 GFAF COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C=O)cc1Cl 140169299 BGWWPPIKYCSEDY-AWEZNQCLSA-N 376.844 2.524 0 1 GFAF NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144736866 LTASFVMKXRIDCK-VQIMIIECSA-N 390.361 2.555 0 1 GFAF CC(C)(C)OC(=O)N1CCN(c2cc(NC(=O)c3ccccc3)ncn2)CC1 169304735 OJHTZMGLYXZHIH-UHFFFAOYSA-N 383.452 2.786 0 1 GFAF Cc1nc(-c2cnn(C)c2-c2ccc(F)cc2F)c2c(N3CCC3)ncnn12 169697381 NAOBHLKOLMPKIN-UHFFFAOYSA-N 381.390 2.989 0 1 GFAF CC(C)CCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 195410535 LJJDMVUTPBDCCC-XKGFGPFHSA-N 388.895 2.784 0 1 GFAF O=C(Cc1ccccc1O)NCCCNC(=O)c1cc(-c2ccccc2)on1 201714496 FGBURJAPEKBMCC-UHFFFAOYSA-N 379.416 2.526 0 1 GFAF O=C1c2nnc(-c3cnccn3)n2CCN1Cc1cccc(Cl)c1Cl 219145413 IHRYBMNZKRJNSI-UHFFFAOYSA-N 375.219 2.698 0 1 GFAF O=c1c(-c2nc3c(O)ncnc3[nH]2)cc(Br)cn1Cc1ccccc1 587007117 XSNRXXMRMWDLQX-UHFFFAOYSA-N 398.220 2.698 0 1 GFAF Oc1n/c(=C\c2ncccc2OCc2ccccc2)c(O)n/c1=C\c1ccccc1 1911583272 SJJRZZBEGCIECL-SIBCGJTDSA-N 397.434 2.519 0 1 GFAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(F)c(F)c3)C[C@@H](O)[C@H]2CO)n1 2356289310 SRXOYRVRFWAGGT-XAMWDVODSA-N 391.462 2.568 0 1 GFAF Cc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)N3CCOCC3)[C@H](O)[C@@H]1[C@@H]2C 2356316229 OAYBQGQRCJCYEU-OFKDAIFMSA-N 392.565 2.999 0 1 GFAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccco5)n4)CO[C@@H]23)cc1 2356449630 SLYWBELHRIKZSK-NBYUQASBSA-N 379.416 2.900 0 1 GFAF CC(C)=CCn1cc(C[C@H]2NC(=O)C(=Cc3c[nH]cn3)NC2=O)c2ccccc21 2356679894 LNDPRITVIFKMJL-GOSISDBHSA-N 389.459 2.529 0 1 GFAF Cc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)n1 3814624 MDPLMYQXEDAJJV-UHFFFAOYSA-N 382.367 2.909 0 1 GFAF CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(SC)cc1 13153470 LYAQGMNUNZHKRV-YLAKUSLOSA-N 394.489 2.575 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN1CCN(c2nsc3ccccc23)CC1 13745246 LTPDXYAZMVAPFX-UHFFFAOYSA-N 392.484 2.715 0 1 GFAF OCCOCCN1CCN(C2=Nc3cc(O)ccc3Sc3ccccc32)CC1 13861676 BWEBUKYUDLVAAM-UHFFFAOYSA-N 399.516 2.562 0 1 GFAF Cc1cc(O)cc(C)c1C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)N(C)C 26838367 MDTMCHLPEWCDEO-NHCUHLMSSA-N 396.487 2.520 0 1 GFAF c1cc(-c2nnc(-c3ccc(C4=NCCCN4)cc3)o2)ccc1C1=NCCCN1 27652657 BBMNQGVUAGGJET-UHFFFAOYSA-N 386.459 2.883 0 1 GFAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)N1CCN(C)CC1 59260609 PHOGKWBKNQASCX-AZUAARDMSA-N 385.556 2.837 0 1 GFAF COc1ccccc1CNc1ncc(C(=O)NCCCO)c(NC2CCCC2)n1 95598001 LXSBESSANKCKCG-UHFFFAOYSA-N 399.495 2.564 0 1 GFAF O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cccnc1 95894732 MLJFMAHJLRFJJA-LMMKCTJWSA-N 391.393 2.710 0 1 GFAF CCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@@H]2CC[C@@H]1C2 102828273 GLDQUPKNVVPTGP-UMVBOHGHSA-N 380.514 2.859 0 1 GFAF CC(C)Nc1nc(-c2ccc(CN3CCCC3)nc2)cc2ncn(C)c(=O)c12 115626050 KYUFAIQBWVKIIY-UHFFFAOYSA-N 378.480 2.807 0 1 GFAF CC(C)(C)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)c1nnn[nH]1 146406340 FEPDNDUUWQVRQN-ZDUSSCGKSA-N 398.389 2.930 0 1 GFAF CC/C=C/[C@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 169326919 XNUWGEPKIOWLHQ-IFNJXCLMSA-N 385.460 2.866 0 1 GFAF Cc1c(C(=O)N2CCc3c(nnn3-c3cnccn3)C2)cccc1C(F)(F)F 225998359 YFZNFJSZQHRCKC-UHFFFAOYSA-N 388.353 2.583 0 1 GFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 586930196 HOTGHEHBBBOZAS-UHFFFAOYSA-N 385.449 2.842 0 1 GFAF FC(F)(F)c1ncc2nc(-c3cncc(I)c3)nc-2[nH]1 587184100 DTJWHKDEAYWARC-UHFFFAOYSA-N 391.094 2.990 0 1 GFAF C[C@H]1C[C@@H]1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1 653773174 YGHABFAGOLUFRV-BQUFFADESA-N 389.406 2.823 0 1 GFAF COC(=O)C[C@]1(Cc2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219665 HUOABZWZRIAWMU-REWPJTCUSA-N 390.439 2.835 0 1 GFAF CCc1ccc(C(=O)c2[nH]c3ccccc3c2C[C@H]2NC(=O)CN(C)C2=O)s1 1857649718 CWNGSLLHOQZJDJ-MRXNPFEDSA-N 395.484 2.522 0 1 GFAF CN1CC2(CCC1=O)CCN(NC(=O)[C@@H]1[C@H](c3ccc(F)cc3)C1(C)C)CC2 1857771374 YLDKFTRUCXWSFT-OALUTQOASA-N 387.499 2.931 0 1 GFAF Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3[C@@H](C)CCC[C@@H]3C)n2)cc1 2965294 RKUFECPMGRMQOW-ROUUACIJSA-N 382.508 2.598 0 3 GFAF Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN(C4CCCCC4)CC3)CC2)cc1 20152424 GIRSLWKMMKYOFH-UHFFFAOYSA-N 390.549 2.778 0 3 GFAF COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)c(OC)c1OC 767658 KSGQSSYEKYYVFX-AEFFLSMTSA-N 384.432 2.892 0 1 GFAF Cc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5cccs5)C(=O)[C@H]24)O3)cc1 4576168 HSUDKTFLDVWKLH-MDPIYQRISA-N 394.496 2.655 0 1 GFAF C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 4875613 ICWYVWJVCSRLQT-HLIPFELVSA-N 387.524 2.902 0 1 GFAF CC1(C)OC(=O)[C@]2(COc3ccc4c(=O)cc(-c5ccccc5)oc4c32)[C@@H]1O 15257293 GSGHBAQDHGCTPP-KNQAVFIVSA-N 378.380 2.787 0 1 GFAF biogenic OC(Cn1cncn1)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1 26503204 PTEBWIUXKWHWTI-UHFFFAOYSA-N 396.838 2.903 0 1 GFAF O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] 28861828 DMMKPEKMJWYVOQ-UHFFFAOYSA-N 392.211 2.968 0 1 GFAF Cn1c(C(F)(F)c2nc3c(F)cc(F)cc3[nH]2)nc2ccc(C(N)=O)cc21 34804708 SESLBIGQYMIHFM-UHFFFAOYSA-N 377.301 2.967 0 1 GFAF CNc1nc(C)c(-c2ccnc(Nc3cccc(S(=O)(=O)NC)c3)n2)s1 35816054 YKEMTVGDNWRGJT-UHFFFAOYSA-N 390.494 2.602 0 1 GFAF NCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 82081446 VBQGBQHFTXHVEU-SFHVURJKSA-N 393.443 2.849 0 1 GFAF O=C1O[C@H](O)C(c2ccc(C(=O)NCc3ccccc3)cc2)=C1Br 84687783 MHLSEOBJRKVUBP-KRWDZBQOSA-N 388.217 2.598 0 1 GFAF Cn1cc(-c2ccc(CN3C(=O)CS(=O)(=O)c4ccccc43)c(F)c2)cn1 95594910 REYSOWUFKQTUCD-UHFFFAOYSA-N 385.420 2.547 0 1 GFAF O=C(Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3)cc2)cc1)[C@@H]1CCCN1 169312944 GRSOBAWTENLPOX-PMACEKPBSA-N 378.476 2.735 0 1 GFAF CN1C(=O)[C@H]2C[C@@H]3[C@@H]4Nc5ccc(Cl)cc5C(C)(C)[C@@H]4CN3[C@@H]2N(C)C1=O 169336411 LEEFVVZQTDQNSU-XJCYIECOSA-N 388.899 2.582 0 1 GFAF CCOC(=O)[C@@H]1C(C(F)(F)F)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 169690637 UDGNMZFZZALZLC-QWHCGFSZSA-N 398.341 2.712 0 1 GFAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CC[C@H](O)C3)cc2F)cn1 224721129 JGQNEIMPUAVPIL-AWEZNQCLSA-N 378.407 2.739 0 1 GFAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 257387724 BMPRGPGLZWJNOP-KJQNPASSSA-N 378.465 2.897 0 1 GFAF endogenous,in-man C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586960165 VVFISUZRBIIISS-CQSZACIVSA-N 387.248 2.734 0 1 GFAF N=c1[nH]c2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)nc-2c(Cl)[nH]1 587076120 IZJLWNHKIYCUTB-UHFFFAOYSA-N 376.207 2.859 0 1 GFAF CCOC(=O)Cc1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1 587224532 JTDLAHUERJWJJO-CQSZACIVSA-N 381.432 2.752 0 1 GFAF COc1cc2c3c(c1)O[C@](C)([C@@H](N=O)C(=O)Nc1ccccc1OC)[C@@H](C2)C3=O 587433501 RKUWSXCTYLHOTP-LPLGYCIKSA-N 396.399 2.984 0 1 GFAF O=C(NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccco1 587659887 IISCGXBTYBXCDX-UHFFFAOYSA-N 391.358 2.866 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587836158 RYCBLAIREJOCAA-QAGHZCBJSA-N 386.261 2.917 0 1 GFAF NC(=O)N1CCc2sccc2[C@]12C(=O)Nc1c(F)cc(Br)cc12 962721166 ZENRQACMSOSRNB-HNNXBMFYSA-N 396.241 2.782 0 1 GFAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNC2CCOCC2)n1 2356305806 INGUXUFDBQIFBA-QXAKKESOSA-N 382.508 2.991 0 1 GFAF CC(=O)O[C@H](C)C=CC(=O)N[C@@H]1C[C@H](C)[C@@H](CC=C(C)C=CC(=O)O)O[C@H]1C 2356636035 SPJBXWLUCQGFSA-HRAJDOBDSA-N 393.480 2.770 0 1 GFAF O=C(NC1CC1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 12482541 PCYUEOFMSPOADM-VBKZILBWSA-N 399.443 2.575 0 3 GFAF N[C@H](Cc1ccccc1)c1csc(Nc2ccc(C(=O)NCCO)cc2)n1 61898385 MBAUJPOXBYJOLS-QGZVFWFLSA-N 382.489 2.851 0 3 GFAF CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 14947686 RNAWARZODNEZLL-IRXDYDNUSA-N 385.464 2.548 0 1 GFAF Nc1nc(-c2cccc(C(F)(F)F)c2)c(I)c(=O)[nH]1 18060302 STOMVMLFBPMGFN-UHFFFAOYSA-N 381.095 2.643 0 1 GFAF COCCN(CCOC)c1nn2c(-c3ccc(O)cc3)nnc2c2ccccc12 33940859 FYZHAHRXECKLIA-UHFFFAOYSA-N 393.447 2.749 0 1 GFAF CS[C@H]1C[C@@H](C(=O)O)N(C(=O)C[P@](=O)(O)CCCCc2ccccc2)C1 40504291 JYQRBOCGMCVLMP-HOTGVXAUSA-N 399.449 2.697 0 1 GFAF COc1ccc(CCNc2cc(-c3ccc(C(N)=O)cc3)nc(OC)n2)cc1 66104645 WJPJBNRAIKENGV-UHFFFAOYSA-N 378.432 2.914 0 1 GFAF COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=S)cc1 72184197 BBFMOMYMNDDVAB-KXBFYZLASA-N 383.473 2.889 0 1 GFAF CN(C)c1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]cc(C(=O)O)c3c2)cc1 95578057 YYZXEEIQVUMEDW-UHFFFAOYSA-N 395.419 2.692 0 1 GFAF Cn1cc(C(=O)NCc2cn(-c3ccccc3F)c3cc(F)ccc3c2=O)cn1 96170196 UHVSQNCUANFUBA-UHFFFAOYSA-N 394.381 2.932 0 1 GFAF COc1ccc2nc(Cl)c([C@@H]3SC(NC(C)=O)=NN3C(C)=O)cc2c1 98083281 PGDLNNVODNXAPL-HNNXBMFYSA-N 378.841 2.898 0 1 GFAF COC(=O)c1nc(C(=O)OC)c(N)c(-c2ccccc2Br)c1C 103269667 RQQIWOARWKIDKW-UHFFFAOYSA-N 379.210 2.975 0 1 GFAF CCC[C@@H]1Cn2c(c3nc(C45CCC(O)(CC4)CC5)nc-3n(CCC)c2=O)N1 169719756 SERXPDYLIIBVKP-OZJRSANCSA-N 385.512 2.886 0 1 GFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@H](C(C)=O)C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 253638118 OHTVSMGBAJOEFI-WPGLORQPSA-N 381.472 2.529 0 1 GFAF COC(=O)C(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587803438 APAXRHSOSBCLDG-XLFHBGCDSA-N 384.245 2.860 0 1 GFAF CCCN1CCN(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1 1857614624 VEMOQUROGJYIHS-UHFFFAOYSA-N 385.533 2.970 0 1 GFAF CC(C)NC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@@H]1O 2356316338 XWGCKTGTYRUWOU-NMPNDITKSA-N 378.557 2.865 0 1 GFAF CS[C@@H]1C(=O)N[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C 2356794163 KYNWNEIOVRAUFT-MJGOQNOKSA-N 394.562 2.911 0 1 GFAF COC(=O)/C=C1/CC[C@@H]2[C@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 263591389 AHLOUXATKVXJKD-RKHMHEEJSA-N 392.467 2.940 0 3 GFAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)N1CCN(c2ccccn2)CC1 2356611263 QNHHZIMWFUTBSB-CYBMUJFWSA-N 384.461 2.814 0 1 GFAF O=C(NC1CCCCC1)N[C@@H]1CCN2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 6613441 FKBFFCNYUAHDGE-WBVHZDCISA-N 376.501 2.746 0 1 GFAF biogenic O=Cc1ccccc1-c1cccn([C@@H](CN2CC[C@H](O)C2)c2ccccc2)c1=O 36190558 RCERLLBHZQVWIV-REWPJTCUSA-N 388.467 2.984 0 1 GFAF CC(=O)Oc1cccc(-c2nc(N3CCOCC3)c3cc4ncccc4n3n2)c1 73221442 RIECASUKCGDFAG-UHFFFAOYSA-N 389.415 2.706 0 1 GFAF CC(C)NC(=O)N[C@@H]1CCN2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C1 25189082 SKWXFFIACRZXLD-TZMCWYRMSA-N 398.385 2.713 0 1 GFAF biogenic O[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)C1CCOCC1 586913092 ICIWRHMYUURVOH-JTQLQIEISA-N 393.612 2.676 0 1 GFAF CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440873 IJSUTPPTVBUJSV-PZPWOCDFSA-N 390.432 2.724 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cnn(C)c2)N1 587762468 FIEJFPMEUNMNCW-BMLIUANNSA-N 396.260 2.964 0 1 GFAF CC(=O)[C@@H](N=O)[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962916667 CZTXLOYYDMVMHE-NSHGMRRFSA-N 384.388 2.723 0 1 GFAF COCc1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(N4CCOCC4)cc3)cc12 1772628894 GAWHJVLUWGIKCD-UHFFFAOYSA-N 396.447 2.528 0 1 GFAF CC(C)[C@H]1C[C@@H](Nc2ncnc(O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O 1772645104 KWEGRRCYCLCYIT-NODPJGRNSA-N 386.477 2.637 0 1 GFAF O=C(CSc1ncccn1)NC[C@H]1Cc2cc(F)cc(-c3cccnc3)c2O1 14996238 OQAQLJQAYDXYFD-MRXNPFEDSA-N 396.447 2.890 0 1 GFAF CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NCc2ccccc2)cc1 15952231 JVPDBCDQCGSTPN-UHFFFAOYSA-N 392.415 2.769 0 3 GFAF Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1 205648881 ZCOLFLOOQUDJRO-UHFFFAOYSA-N 384.443 2.992 0 1 GFAF COc1ccc(N2C(=S)NC(=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 1857641195 ZEZJUTVRXUEAGD-MRXNPFEDSA-N 388.445 2.683 0 1 GFAF COc1cccc(-c2cn(-c3ccc(CNCCO)cc3)c3ncnc(N)c23)c1 3815323 QGPSFIYTQAONCS-UHFFFAOYSA-N 389.459 2.760 0 1 GFAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCS(=O)(=O)Cc2ccccc2F)C1 4710347 HPGDQCWMNPJYEF-CALCHBBNSA-N 398.544 2.615 0 1 GFAF Cn1nc(-c2ccccc2)c2nc(Br)c(Br)n2c1=O 28009297 QMACTLSZGMQBJY-UHFFFAOYSA-N 384.031 2.620 0 1 GFAF CCC(C)(C)C(=O)C(=O)N1[C@H](C(=O)OCCCc2ccncc2)[C@@H]2CC[C@@H]1C2 100043482 JMLRFOPJGOEVRD-KURKYZTESA-N 386.492 2.942 0 1 GFAF O=S(=O)(N[C@H]1[C@@H]2CC[C@@]1(O)Cc1ccccc1C2)c1ccc(Cl)s1 29128955 LRKSZTJQEVWHDS-OAUYIBNBSA-N 383.922 2.988 0 1 GFAF COc1cc2c(c(OC)c1O)[C@H](c1cc(C)c(O)c(C)c1)[C@@H](CO)[C@H](CO)C2 2356569621 OELITVVAXWGNQR-XYJFISCASA-N 388.460 2.637 0 1 GFAF CC[C@H](O)[C@@H](O)CC=CCC=CCCCCCCCC(=O)OC[C@@H](O)CO 2356577982 YTWKAWSYURUHGL-UFYCRDLUSA-N 386.529 2.638 0 1 GFAF O=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c(Cl)c1)c1ccccn1 66148800 KOEUPOPGGUYZAB-ZYGGUILKSA-N 397.818 2.654 0 1 GFAF CN(CCCN(C)c1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 34167113 DWASHYQVMJCHTD-FQEVSTJZSA-N 395.503 2.726 0 1 GFAF CN1C(=O)[C@H]2C[C@@H]3[C@@H]4Nc5ccc(Cl)cc5C(C)(C)[C@@H]4CN3[C@H]2N(C)C1=O 195354907 LEEFVVZQTDQNSU-WRCBOWBKSA-N 388.899 2.582 0 1 GFAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@]5(CC[C@@H]12)CC(=O)O[C@]453 85948041 XCHPKMCSODEYHN-IDZYALCFSA-N 382.460 2.678 0 1 GFAF CN(CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)CC(=O)O 143443739 XGAWTIQKVPQRKG-GOSISDBHSA-N 381.350 2.860 0 1 GFAF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OCc3nccs3)c12 96911660 MKBPJYXIMGRWJR-UHFFFAOYSA-N 387.461 2.594 0 1 GFAF COc1ccccc1N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 96258422 MQPUPFPSPOAIFR-UHFFFAOYSA-N 378.476 2.687 0 1 GFAF CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3C)cc1)[C@@H](CO)N2C(C)=O 95668285 IQYKJSFBOZGNLR-GGAORHGYSA-N 392.499 2.960 0 1 GFAF C/N=c1\c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(O)oc2ccccc12 617997446 AMCHGJKNSCLDGX-ZZUBKFDBSA-N 377.400 2.661 0 1 GFAF CC1(C)OC[C@@H](CNC(=O)c2cnn(-c3cccc(Cl)c3Cl)c2N)O1 299852847 YFWWZIUPMKCBAM-SECBINFHSA-N 385.251 2.643 0 1 GFAF CC(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](C)C3=CC(=O)O[C@]3(O)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 618006272 NAUXGSWGHJVNHI-DLGWAMGASA-N 392.492 2.569 0 1 GFAF biogenic N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCOC1 587248865 YDZBWHVOFJVBHA-QGZVFWFLSA-N 392.868 2.591 0 1 GFAF CC(=O)OCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587579202 CLRWCLWSBUOOHN-NQIIRXRSSA-N 394.383 2.855 0 1 GFAF COc1cccc(C)c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587785612 ABOAHJWISJVGKF-UHFFFAOYSA-N 387.461 2.568 0 1 GFAF COc1cccc([C@@]2(c3ncco3)NCCc3ccc(C(=O)N(C)C)cc32)c1 962930177 KZPZPHDQSWYZJS-JOCHJYFZSA-N 377.444 2.823 0 1 GFAF CC(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772647734 JOYRYCMGFKDHHQ-INIZCTEOSA-N 388.851 2.843 0 1 GFAF S=C(NCCn1nc2ccccc2n1)Nc1ccc(Br)cn1 12354033 OAGVOXBBBCESFK-UHFFFAOYSA-N 377.271 2.575 0 1 GFAF O=C(CO)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697246 PATXYRVWJPYPMG-MAEOIBBWSA-N 388.508 2.652 0 1 GFAF Nn1c(S)nnc1Cn1c(=O)cc(-c2ccccc2)c2ccc(Cl)cc21 1857534276 OMCLFYPAENJOJP-UHFFFAOYSA-N 383.864 2.964 0 1 GFAF NC(=S)c1cccc(-c2cn(CC3C[C@H](O)[C@@H](O)C3)c3cc(CO)ccc23)c1 1857613553 ONJMAZJWYVLYJH-SFTDATJTSA-N 396.512 2.567 0 1 GFAF O=C(NCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)Nc1ccccc1 3786993 HRVYTGNRRMKBEH-INIZCTEOSA-N 385.445 2.781 0 1 GFAF COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)c(OC)c1OC 4053650 KSGQSSYEKYYVFX-FUHWJXTLSA-N 384.432 2.892 0 1 GFAF CCOC(=O)c1noc2ncnc(N3CCN(c4ccc(Cl)cc4)CC3)c12 21538972 VHDPIBXWYGLYKI-UHFFFAOYSA-N 387.827 2.775 0 1 GFAF CC(C)(Oc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O 26399728 PJXWKDSAHPFGKL-UHFFFAOYSA-N 390.823 2.951 0 1 GFAF CCc1nc2ccccc2c(=O)n1CCCNC(=O)[C@H]1CC(C)(C)NC1(C)C 40466895 IDZZJRYGIJSJJH-MRXNPFEDSA-N 384.524 2.632 0 1 GFAF CCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O 45352519 MHAUZMSHZITGEY-UHFFFAOYSA-N 384.461 2.600 0 1 GFAF O=C(C1CCOCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 95568312 REIPENKEAUIUGY-XOKHGSTOSA-N 395.297 2.552 0 1 GFAF Fc1cccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1F 95605551 DZXZQRMALFTZJB-UHFFFAOYSA-N 398.339 2.744 0 1 GFAF C[C@H]1CNC(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)CCn2nncc2COC1 95662642 GABXPMVNYXBBOJ-ZFWWWQNUSA-N 396.413 2.828 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)C1CCCCC1 95666848 WFMHLEFCAKKKCY-VAMGGRTRSA-N 387.524 2.631 0 1 GFAF COc1ccccc1OCCNC[C@H](O)COC1C2CC3CC(C2)CC1C3 96939677 BOZCUDPMXNCFEO-UJXOHREUSA-N 375.509 2.866 0 1 GFAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)c(Br)c1 101501971 WOSCYVQMBIRTRF-REQDGWNSSA-N 394.229 2.946 0 1 GFAF aggregator COC(=O)[C@@H]1CCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144793714 JORMIHJZEPKANO-LPHOPBHVSA-N 391.345 2.853 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587115920 FFTHAWHKERZRQK-UHFFFAOYSA-N 393.350 2.839 0 1 GFAF COc1cc(CN2CCOCC2)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587400924 RRUPXNNSRFFERV-IBGZPJMESA-N 398.459 2.830 0 1 GFAF COc1cccc(CN2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c1 653666595 WVNFJYGGYQJTKX-UHFFFAOYSA-N 393.495 2.571 0 1 GFAF C[C@]1(c2cccc(S(C)(=O)=O)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962763033 JSXQISWJMZKWGC-SJLPKXTDSA-N 397.418 2.999 0 1 GFAF C[C@]1(c2c(F)cccc2N2CCOCC2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962924768 VABCHQSUGJZPLJ-UWJYYQICSA-N 388.414 2.664 0 1 GFAF COc1ccc2c(c1)[C@](CC(=O)c1ccnn1C)(c1ccnn1C)N[C@@H]1CC[C@H]21 962998798 WAXAFBKDPYBGRT-RADWXHQJSA-N 391.475 2.528 0 1 GFAF Cc1c(O)ccc2c1[C@@]1(CCC[C@@H]1CNC(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963471341 NUPSCCIXOMOUNL-WIEQDCTASA-N 390.480 2.820 0 1 GFAF CN1CCc2cnn(C)c2[C@]12C(=O)c1cc(O)ccc1O[C@@H]2c1ccc(O)cc1 963955269 OVLSFTAPJMLKND-FGZHOGPDSA-N 391.427 2.531 0 1 GFAF Cc1cc(Nc2nc(C(=O)N3C[C@H](C)N[C@H](C)C3)nc3ccc(Cl)cc23)n[nH]1 1772612867 DCSCGJBLXPXCMB-TXEJJXNPSA-N 399.886 2.881 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)CCO 1772649489 QPKIGRQFGZEZBT-UHFFFAOYSA-N 379.464 2.792 0 1 GFAF CN(C)C(=O)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1 1857583407 TUNINTCCMVDODB-UHFFFAOYSA-N 382.443 2.729 0 1 GFAF CC(=O)O[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356412498 RONVFHDKERFTPP-NAKHMPLBSA-N 394.552 2.899 0 1 GFAF COC(=O)[C@@]12CC[C@@]3(C=CCN4C(=O)C[C@]5(C1=Nc1c(OC)cccc15)[C@@H]43)C2 2356635699 HGQBJRIJBYPBDS-UVUJQTEASA-N 378.428 2.533 0 1 GFAF CC(=CCC[C@@H](CO)CCC=C(CC(=O)c1cc(O)ccc1O)C(=O)O)CO 2356825601 HSVUKDCQOJDZKZ-OAHLLOKOSA-N 392.448 2.789 0 1 GFAF CC(C)NC[C@@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@H]1O 2356301803 FRXBYCFMJWNSRC-NNWRFLSQSA-N 387.524 2.756 0 1 GFAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)cc1 4054935 YABXQEQNSCSLAS-HKUYNNGSSA-N 388.851 2.939 0 1 GFAF O=C(Nc1c(Cl)cccc1Cl)c1c(Cl)nc2n1CCS2(=O)=O 103179305 GRMIWTLAEKVTRK-UHFFFAOYSA-N 380.640 2.883 0 1 GFAF C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@@H](F)C(=O)N2[C@H]1C(=O)O 26161329 BPHHPYFDKVOOBN-JOXOIDLHSA-N 384.479 2.854 0 1 GFAF CC(C)(C)NC[C@@H](O)COc1ccc(NC(=O)c2cccs2)cc1C(=O)O 25979202 VQVAFIKWVGMRSF-CYBMUJFWSA-N 392.477 2.826 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CCC[C@H](C(=O)O)[C@@]12C 38308357 PLUOSPXAEMKKRW-GVHGUOPMSA-N 392.448 2.991 0 1 GFAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F 72181468 KTMFWXLIFRKSSJ-UHFFFAOYSA-N 395.391 2.640 0 1 GFAF COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12 35900968 IVSNRJJOEPNTNL-UHFFFAOYSA-N 388.424 2.928 0 1 GFAF COC(=O)c1sccc1-n1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C 72139446 GZTROGVOHJVQGB-UHFFFAOYSA-N 395.440 2.543 0 3 GFAF CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 49111871 OSXWBQNYKRPINE-UHFFFAOYSA-N 389.481 2.845 0 1 GFAF CC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CC1 95895603 AARISULFZWERSM-VSKRKVRLSA-N 396.462 2.694 0 1 GFAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)[C@@H](O)C[C@]12O 255260019 PVAMXWLZJKTXFW-ZQJUHIOESA-N 390.520 2.575 0 1 GFAF CCn1cc(Cl)c(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)OC)n1 587649186 KSAOGGOBFSUMPN-UHFFFAOYSA-N 381.841 2.895 0 1 GFAF COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649903 MQEMQXSXWBUARJ-UHFFFAOYSA-N 393.367 2.872 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1cccc(C)n1)CC2=O 587483828 GBOVRPNREDIZDY-FQEVSTJZSA-N 389.473 2.953 0 1 GFAF O=C(O)C[C@@](O)(C[C@H](O)CCCCCn1ccc2ccc(Cl)cc21)C(=O)O 13781088 TXDDKPCPGBBGHA-BEFAXECRSA-N 397.855 2.897 0 1 GFAF CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccco2)cc1 169687357 SYACAHCUKULFTE-BHIYHBOVSA-N 397.427 2.809 0 1 GFAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)Cn2ccnc2C(N)=N1 204752804 POIHLBHMIQIQIE-IBGZPJMESA-N 398.829 2.957 0 1 GFAF C[C@@H](O)[C@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113653009 FKNJKNHEBUMLTR-OLZOCXBDSA-N 385.855 2.842 0 1 GFAF COc1cc([C@@H]2c3cc4c(cc3Cn3nncc32)OCO4)cc(OC)c1OC 28872639 XPUQIRIZHDSVJJ-LJQANCHMSA-N 381.388 2.575 0 1 GFAF CC1=C[C@@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)Nc4cc(C)on4)cc3)C(=O)[C@H]21 104107322 MNXBSYVVUROKIR-AETAKHFUSA-N 377.400 2.937 0 1 GFAF COc1cccc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1 115732235 YJRZQZTXETZPFO-UHFFFAOYSA-N 395.419 2.514 0 1 GFAF O=C(Nc1cnn(S(=O)(=O)c2cccc(Cl)c2F)c1)c1ccccn1 116776371 WCLBHINVRKQEAJ-UHFFFAOYSA-N 380.788 2.560 0 1 GFAF CCOCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 34064386 UJFDLBWYYFZXDS-WFMZDECMSA-N 382.497 2.734 0 1 GFAF in-man CCOC(=O)N1CCC(N2C[C@H]3CN(C(=O)c4ccccc4C)C[C@H]3C2)CC1 73162038 AEEXMFJFLATESA-HDICACEKSA-N 385.508 2.620 0 1 GFAF Cc1cccc(C(=O)c2cc(Cl)ccc2OCCn2ccc(=O)[nH]c2=O)c1 72127532 SSJPBYXHNGKVGN-UHFFFAOYSA-N 384.819 2.808 0 1 GFAF O=C1C[C@H](c2ccccc2)NCCCCN2C[C@@H](CN1)c1ccccc1C2=O 13414826 XRGRYPQJVHKGHR-WIYYLYMNSA-N 377.488 2.857 0 1 GFAF biogenic OC[C@@H](O)CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 84595492 GCSNYHBLOFJHDQ-VCOUNFBDSA-N 388.458 2.512 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccco2)n1 82142118 JIXMLQSRBQPSBC-CJNGLKHVSA-N 385.468 2.593 0 1 GFAF CN[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 143345225 VZSIGWGZEMFECR-YJYMSZOUSA-N 376.378 2.899 0 1 GFAF Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c2c(N)ncnc21 96285840 SKNNYROPGOOGGW-UHFFFAOYSA-N 384.443 2.744 0 1 GFAF Cc1ccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)O3)cc1 95710892 FPYFRAAYXDWLDR-LLGFUMIMSA-N 397.519 2.839 0 1 GFAF COc1cc(S(=O)(=O)c2cccc([C@@H](C)O)c2)cc2c3c(oc12)CCNC3 147532605 BJNXVPZKSSMWHE-GFCCVEGCSA-N 387.457 2.973 0 1 GFAF COC(=O)[C@H]1CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@H]12 238772336 UPGSFJFFXVRXIF-DZUHBENNSA-N 384.476 2.920 0 1 GFAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1nccs1 95869298 RLHLHQOARBDQIW-AZUAARDMSA-N 397.544 2.875 0 1 GFAF COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](O)C2 32206782 XTGUWFUENAJQSX-IFXJQAMLSA-N 376.405 2.767 0 1 GFAF biogenic CCCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587970436 HMCDSTRVOKHMNV-CNDDSTCGSA-N 383.198 2.613 0 1 GFAF COc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809604 RCPDMLJKLZZMGA-YPMLDQLKSA-N 396.256 2.685 0 1 GFAF CCN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C(=O)OC)C1 587581114 GEKRMEWKWCZWNZ-REDKUUPNSA-N 397.427 2.607 0 1 GFAF Cc1cc(=O)c2c(O)cc(OCc3ccco3)c([C@H]3CCN(C)C[C@H]3O)c2o1 1772607567 VFTVIIVAGAEJLY-WMLDXEAASA-N 385.416 2.759 0 1 GFAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccccc1)(N1CC(O)C1)C(=O)N2 1772640143 YNXQTBXDYVGWSD-JOCHJYFZSA-N 375.428 2.831 0 1 GFAF Cc1ccc(NC(=O)CN2C(=O)CCS(=O)(=O)c3ccccc32)cc1Cl 5146011 RIUAIZTXHAVLDD-UHFFFAOYSA-N 392.864 2.798 0 3 GFAF Cc1cc(OCc2cc(C(=O)N3CCN(C)C(=O)[C@@H]3C)no2)cc(C)c1Cl 12024472 PKONHCKYZNZANU-ZDUSSCGKSA-N 391.855 2.827 0 3 GFAF CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(F)cc1 12382682 XJTOZJAEUQGOBW-WKRCXCSHSA-N 394.439 2.769 0 1 GFAF C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)Nc2ccc(-c3cnco3)cc21 13470430 WLPVKLZUKCPKQL-WQRHYEAKSA-N 396.428 2.784 0 1 GFAF C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C 13657458 OXDCARWEOLFUPV-JTQLQIEISA-N 392.843 2.775 0 3 GFAF N=C(N)c1ccc2cc(C[C@H](C(=O)O)c3ccc(O[C@H]4CCNC4)cc3)oc2c1 13735920 YHAXAOUTROPKEV-HKUYNNGSSA-N 393.443 2.868 0 1 GFAF COc1c(-c2cn[nH]c2)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O 14965079 APQZTVXXAJMOKS-UHFFFAOYSA-N 391.380 2.723 0 1 GFAF O=C(NCc1c(Cl)cc(Cl)cc1OCCO)[C@H]1COc2ncccc21 205620738 IXCGZYKMXAHFMM-ZDUSSCGKSA-N 383.231 2.552 0 1 GFAF COC(=O)C1=CO[C@@H](C)[C@@H]2CN3[C@H](C(=O)O)Cc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 13383459 KLVJWWMEDXWHEI-UNPMYHOCSA-N 396.443 2.632 0 1 GFAF COc1cc2c(cc1OC)C(=O)C[C@@H](CN1CCN(c3ccccn3)CC1)C2 13589200 XGKXPQMZVGRMDJ-INIZCTEOSA-N 381.476 2.666 0 1 GFAF COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1 13680267 BZVYQWLRCHLAGK-QGZVFWFLSA-N 399.405 2.800 0 1 GFAF in-vivo OC[C@H]1CCCCN1CCNc1nncc(-c2cccc(C(F)(F)F)c2)n1 23310440 BTPTVSAEGPYGEF-OAHLLOKOSA-N 381.402 2.816 0 1 GFAF O=C(OCn1ccc(=O)[nH]c1=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 29564526 ZEHZDWNKWHOWSI-UHFFFAOYSA-N 383.109 2.677 0 1 GFAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@@H]3[C@@H]4O[C@@H](C[C@](C)(O)C(=O)CC[C@]4(C)OC[C@@H]2C)[C@@H]31 40875106 XZPFJFYBJFLLCW-HFLLUUAZSA-N 394.508 2.503 0 1 GFAF CC(C)c1nnc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]1 71330710 UCKMHPVVANEWOV-OUCADQQQSA-N 376.486 2.724 0 1 GFAF COC[C@H]1NS(=O)(=O)c2ccc(Br)cc2O[C@H]1c1ccccc1 72139548 RJPQTKBHZHQVFS-CJNGLKHVSA-N 398.278 2.876 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@@H]1n1cnc2ncnc(Cl)c21 95564207 XOZFCRHBRSHVJP-QPUJVOFHSA-N 389.790 2.615 0 1 GFAF CCOCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 95565004 UJFDLBWYYFZXDS-NFPZBYHESA-N 382.497 2.734 0 1 GFAF in-man NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12 95597675 BIBMGOMAPOAXCH-UHFFFAOYSA-N 397.437 2.970 0 1 GFAF CCC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 101621111 JPAYKFOGOBDDJL-SUWCGCSTSA-N 396.443 2.750 0 1 GFAF COc1ccc([C@H]2C3=C(O)OCC3=Nc3c2c(O)nc(=O)n3CC(C)C)cc1 103663284 KUTHYPIZRGNPNI-AWEZNQCLSA-N 383.404 2.631 0 1 GFAF COc1ccc([C@H]2O[C@@H](O)[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1OC 137952043 RFMVVAAYBGTQPS-FWMQAEDESA-N 386.400 2.826 0 1 GFAF CC1(C)CN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)CCO1 146265280 KIDWRWHJLGXGOL-UHFFFAOYSA-N 381.423 2.577 0 1 GFAF CN(C(=O)C12[C@H]3C4[C@@H]1[C@H]1C4(C(=O)C45C6C7C4C4C5C6C74C)[C@H]3C12C)C(C)(C)C 195495447 MVEPNNJIZFXFLP-PCXSVISSSA-N 375.512 2.698 0 1 GFAF Cc1c(C(=O)N2CCc3c(nnn3-c3ncccn3)C2)cccc1C(F)(F)F 225989076 CLSWDTXYPGRTCV-UHFFFAOYSA-N 388.353 2.583 0 1 GFAF CC(C)(C)OC[C@H]1CN(Cc2cccs2)S(=O)(=O)c2cnccc2O1 299852364 QVWLHGJOVYLUBE-CYBMUJFWSA-N 382.507 2.910 0 1 GFAF CN(Cc1nc2cc3cn[nH]c3cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928778 KMRFJXYRNUNAFP-UHFFFAOYSA-N 375.841 2.913 0 1 GFAF Cc1cc(Br)cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 586929533 XKYRLYBPPLVFBT-UHFFFAOYSA-N 395.282 2.850 0 1 GFAF CCOC(=O)[C@H](NC(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988792 QUEAJHZECOQMBZ-HXUWFJFHSA-N 390.395 2.892 0 1 GFAF COc1cc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2cc1F 587024038 LEPGONRDBZERBQ-UHFFFAOYSA-N 379.417 2.922 0 1 GFAF CCOC(=O)[C@H]1Cc2c(nc(C)n2C)[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587431656 PYNZGCQHBYZAIZ-IEROGBPDSA-N 396.443 2.506 0 1 GFAF COc1ccc(C=O)c(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)c1OC 587796893 RJUHFCHILPPEAH-UHFFFAOYSA-N 392.415 2.815 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(N)(=O)=O)c2)N1 587842243 SZYWVTJHZFGIBE-XXFAHNHDSA-N 399.285 2.859 0 1 GFAF O=C1N=c2ccc(NC(=O)/C=C/c3ccc(OCc4ccccn4)cc3)cc2=N1 618014719 GMHRGDGZBFMDRX-IZZDOVSWSA-N 384.395 2.685 0 1 GFAF COCCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC 1772601505 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Cc1ccccc1CNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 263590699 JDXKUNIDWZKHPK-XBJMDHIQSA-N 388.467 2.593 0 3 GFAF C[C@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)[C@@H]1C 4675837 PHTKJTQURPUOOM-YQVWRLOYSA-N 399.601 2.760 0 1 GFAF Cn1cc(C2=C(c3cn(CCN)c4ccccc34)C(=O)NC2=O)c2ccccc21 13451569 OZVIXSLTRMYODX-UHFFFAOYSA-N 384.439 2.659 0 1 GFAF CN1C(=O)N2C(=NC[C@@H]2CN2CCN(c3ccccc3)CC2)c2ccccc21 13832339 DDBDQJLGWORGPW-GOSISDBHSA-N 375.476 2.509 0 1 GFAF COc1cccc(CNc2nc(N3CCC[C@H]3CO)nc3c2ncn3C(C)C)c1 27329955 IRQMNWMHOGFYAZ-INIZCTEOSA-N 396.495 2.989 0 1 GFAF CCN1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1 28570295 OBAAVMRKGBJFGT-UHFFFAOYSA-N 390.487 2.682 0 1 GFAF CO[C@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 32296509 HBOUIMWCFJKPNL-PZPWOCDFSA-N 384.384 2.691 0 1 GFAF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 64549003 NHCPMAKOQMYGRA-GOSISDBHSA-N 392.532 2.873 0 1 GFAF CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1 68267366 BVARGKCDJUUMRO-UHFFFAOYSA-N 388.431 2.689 0 1 GFAF O=C1c2c(c3n(c(=O)c2O)CCCCC3)C(=O)N1Cc1ccc(F)c(Cl)c1 71330151 UDOUOAWJZIGNLL-UHFFFAOYSA-N 390.798 2.869 0 1 GFAF CCOc1cc(CCNc2nc(N3CCN(C)CC3)ncc2C)ccc1OC 82202788 AGSYDQZTGZYGGD-UHFFFAOYSA-N 385.512 2.599 0 1 GFAF COc1ccc(CCNc2nc(N3CCCN(C)CC3)ncc2C)cc1OC 82202851 DJKKXWAJYUBIMJ-UHFFFAOYSA-N 385.512 2.599 0 1 GFAF COc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)c2)nc1 95603945 HNRVVAHVDIBECJ-QGZVFWFLSA-N 394.353 2.677 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 95795732 QPXWAONWWYNYJO-YHJQUOROSA-N 394.446 2.670 0 1 GFAF O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95866452 CQWXPMVLFQTZCV-HFMPRLQTSA-N 390.483 2.651 0 1 GFAF CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4C)cc3)[C@@H]2C1 95869618 PNIGZEQCCMCVQF-MIZPHKNDSA-N 378.472 2.570 0 1 GFAF Cc1ccccc1[C@@H]1CC(=O)N(CCN2CCN(c3ccccc3F)CC2)C1=O 101656620 VMCPEUXFYRXUBH-IBGZPJMESA-N 395.478 2.799 0 1 GFAF C[C@H]1C[C@H](C)CN(CCCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)C1 102836862 UAGNGANMRDBKCS-HOTGVXAUSA-N 395.507 2.726 0 1 GFAF Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)o1 142911821 JFJQSOXFJBIMOJ-QGZVFWFLSA-N 394.427 2.829 0 1 GFAF O=C1CN=C(n2cnc([C@@H](O)C3CC3)c2)C=C2c3cccc(C4CC4)c3CCN12 149065610 OZWURFQKHYKJNH-QHCPKHFHSA-N 388.471 2.890 0 1 GFAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CC(F)C1 149353471 QMSVONDGHJMRDR-GPANFISMSA-N 390.480 2.918 0 1 GFAF O=C([C@H]1CCCO1)N1CCN(C[C@H](NCc2ccccc2)c2ccccc2)CC1 198327706 MUXRVMAFBSHERF-XZOQPEGZSA-N 393.531 2.841 0 1 GFAF Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CCC[C@@](C)(O)C5)ncn4)c3c2)cn1 225557838 BETKLLYGFNDSNS-OAQYLSRUSA-N 389.463 2.772 0 1 GFAF CC(C)Oc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br 586929636 GIIMJAHYEFKKOB-UHFFFAOYSA-N 399.270 2.755 0 1 GFAF Nc1ncnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 586961470 RPMCRUOKJWSYPZ-SNPRPXQTSA-N 398.492 2.630 0 1 GFAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2c1 587243016 AVTMRKWZHKRIHA-UHFFFAOYSA-N 387.465 2.799 0 1 GFAF CCNC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587385564 DAWCSZSFWKMVBV-GOSISDBHSA-N 384.432 2.807 0 1 GFAF COc1cc2c3c(c1)O[C@@](Cn1cncn1)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587425322 BRIKZEHPMWXFES-YWZLYKJASA-N 383.354 2.908 0 1 GFAF CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440383 GPWFEIZRGCYTAV-SZNDQCEHSA-N 390.432 2.580 0 1 GFAF CCOC(=O)[C@@]1(c2cnc3ccccn23)N[C@H](C)Cc2c(OC)ccc(OC)c21 963639497 VIBQFQPCBGYLNZ-PEBXRYMYSA-N 395.459 2.692 0 1 GFAF COC(=O)C1=C[C@@]2(N[C@@H](C)Cc3c(OC)ccc(OC)c32)c2ccccc2O1 963639591 VUNOYOAENQJIMJ-WHEQGISXSA-N 381.428 2.931 0 1 GFAF Cc1ccc2c(c1)cc([C@@H]1CC(c3ccccc3)=NN1C(N)=S)c1nnnn12 1857565557 GKQXPTVZTLJPBX-SFHVURJKSA-N 387.472 2.981 0 1 GFAF NC(=O)c1cccc(N=c2[nH]c(=NCc3cccs3)c3ccccc3[nH]2)c1 1857577561 GRYSLETWCZXACO-UHFFFAOYSA-N 375.457 2.990 0 1 GFAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)NCc2ccccc2)CC[C@]1(C)O 2356288569 HEZAHMKVGGNLON-SJBKTWHCSA-N 381.476 2.599 0 1 GFAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356315594 NCMCKKKMZKTIEL-CBPXPLCBSA-N 399.535 2.592 0 1 GFAF C[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O 4078470 WCZJLBSGLPJDJK-GFCCVEGCSA-N 389.440 2.606 0 3 GFAF Cc1cccc(CN2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)n1 22852578 MWXLUUYSRIAFMQ-QHCPKHFHSA-N 391.519 2.645 0 3 GFAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13OC[C@@H](C[C@@H]21)[C@](O)(C(C)C)[C@@H]3O 254095688 HRQUJKIMIXCOBO-XGZNIJJASA-N 380.525 2.919 0 3 GFAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@H]2[C@@H]1O 2356313685 SIMZXEAFDQBOMQ-IJJFJUKRSA-N 377.554 2.867 0 1 GFAF O=C1NC(=S)N/C1=C/c1ccc2ccc(-c3ccc4c(c3)COC4=O)cc2n1 101464044 OJPRBJAZRVWDMA-GIJQJNRQSA-N 387.420 2.917 0 1 GFAF O=C(NC1CCN(C(=O)c2ccncc2)CC1)NC12CC3CC(CC(C3)C1)C2 36330690 WQEIIYIUPCOEEV-UHFFFAOYSA-N 382.508 2.954 0 1 GFAF OC(c1cccnc1)(c1cccnc1)[C@H](Cc1ccccc1)N1CCOCC1 49113520 IOINRDOSUIAQPJ-QFIPXVFZSA-N 375.472 2.656 0 1 GFAF COc1ccc2c3c1O[C@H]1C(=O)[C@H](C(C)=O)C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 195059717 OHTVSMGBAJOEFI-NLPVSQSESA-N 381.472 2.529 0 1 GFAF Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)OCCN)cc3)co2)cc1 82069794 OJBAVBVLHJPAAE-UHFFFAOYSA-N 379.416 2.696 0 1 GFAF CCOC(=O)C[C@H](C)Nc1nc(N2CCC(N3CCCC3)CC2)ncc1C 82203807 MIUABXIIMQJBOG-INIZCTEOSA-N 375.517 2.603 0 1 GFAF CN1C(=O)N(c2ccnc(F)c2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl 95565076 IVTBZBIFJFTPCH-LBPRGKRZSA-N 398.772 2.709 0 1 GFAF CCN(CCO)C(=O)c1nc2cccnc2n1-c1cccc(C(F)(F)F)c1 95556119 TUNLNLMSYLQKKG-UHFFFAOYSA-N 378.354 2.894 0 1 GFAF CCOc1ncnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 261135803 LZODFLMXHKGAHJ-SUMWQHHRSA-N 388.443 2.869 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(S(N)(=O)=O)c1)CC2=O 587483906 GKWPHCDPIRWGLV-IBGZPJMESA-N 375.446 2.873 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(NN)n1 587863065 PJMNUXONHTYBLX-UHFFFAOYSA-N 377.326 2.947 0 1 GFAF O=C1C[C@]2(CC=Cn3c2ncc(C(=O)O)c3=O)Oc2c1ccc1c2CCCC1 587528371 YJAJTZLVCAWCSP-NRFANRHFSA-N 378.384 2.555 0 1 GFAF CC[C@H](C)n1ncc(I)c1-c1nc2c[nH]c(=N)cc2[nH]1 587181635 XXVYGUANPPBDDR-ZETCQYMHSA-N 382.209 2.810 0 1 GFAF COC(=O)CCC[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963487868 FBOKDWMRWAVJBR-HTAPYJJXSA-N 383.444 2.886 0 1 GFAF Cc1nnc(SCC(=O)N2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)s1 11665292 HDJRGPDHMLXDDZ-ZDUSSCGKSA-N 392.506 2.770 0 1 GFAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(C)c(F)cc3nc2-1 13556284 WHJKBELOHNDFGG-JOCHJYFZSA-N 394.402 2.917 0 1 GFAF CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OCC)CCCC3=C2N(CCC3)C1=O 203472512 SZDGWROYOWKYBZ-KKSFZXQISA-N 376.497 2.923 0 3 GFAF COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OC1CCCC1 1857765635 ZZGVWTLFUIXYPH-UHFFFAOYSA-N 385.512 2.778 0 1 GFAF COCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCC1 7991827 PNWHUPHFEWELCI-UHFFFAOYSA-N 380.496 2.956 0 1 GFAF COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCNC(=O)C2)cc1F 55576256 AXSJKXLQLZNYCB-UHFFFAOYSA-N 394.450 2.927 0 1 GFAF O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(c2ccccc2F)CC1 103010655 FAVCMXNMFHPPHH-MRXNPFEDSA-N 385.414 2.587 0 1 GFAF Cc1ncc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)s1 66100795 UHWJFOMTKXVUFY-SECBINFHSA-N 393.314 2.973 0 1 GFAF CC(C)NC(=O)N1CCN2[C@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C 2356313540 HNDRBFAWHFKJJD-QGZVFWFLSA-N 392.931 2.679 0 1 GFAF COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](N)c1cc(=O)c(SC)ccc12 27711969 UIISPSQWSADMCY-ZSZQSSIHSA-N 375.490 2.890 0 1 GFAF CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)NCCC(=O)N2 45253779 XVCRSAAJAJMUPG-BQYQJAHWSA-N 389.459 2.999 0 1 GFAF CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](O)CN3)nc12 1911580091 GANCMNWNJFMYQC-DLBZAZTESA-N 380.496 2.600 0 1 GFAF O=C(Nc1cnn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccccn1 198768369 ITSUXYXWKUMHLN-UHFFFAOYSA-N 396.350 2.786 0 1 GFAF CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82210441 IMTDZESDWNXSKP-QGZVFWFLSA-N 390.443 2.687 0 1 GFAF Cc1ccc(-n2nc(-c3cncnc3)cc2NC(=O)c2cnn3cccnc23)cc1 145863939 KGKIMTSBCBAYLO-UHFFFAOYSA-N 396.414 2.933 0 1 GFAF CC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95895261 NIPDWBSESJFELC-BHDDXSALSA-N 378.472 2.555 0 1 GFAF O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cccnc1 95894730 MLJFMAHJLRFJJA-JENIJYKNSA-N 391.393 2.710 0 1 GFAF COc1ccc2c3c1O[C@@H]1C(=O)[C@H](C(C)=O)C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 253638112 OHTVSMGBAJOEFI-MOFNJSKZSA-N 381.472 2.529 0 1 GFAF COc1cc(/C=C/C(=O)N[C@H]2C[C@H](C)NC(=O)N2)cc(Cl)c1OC(C)C 618015652 DFVQMOMHDNVXJW-YWEUBKCLSA-N 381.860 2.683 0 1 GFAF Nc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1 299858618 DXKIGAYKQAZBQS-KRWDZBQOSA-N 385.427 2.536 0 1 GFAF CCOC(=O)C1=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(O)cc2O1 587454029 RBESMFLYWIKZAY-QRQCRPRQSA-N 394.379 2.883 0 1 GFAF COc1cc(N)c(I)cc1-c1nc2cc(F)cnc2[nH]1 587178900 NZWFZGAXZOAKDT-UHFFFAOYSA-N 384.152 2.959 0 1 GFAF O=C(NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1 60177372 HBJPOHDQQVIBLT-UHFFFAOYSA-N 378.398 2.652 0 1 GFAF O=C(C[C@H]1SC(NN/C=C2\C=Nc3ccccc32)=NC1=O)Nc1ccccc1 15974320 FKLNIWGINAZNRT-GZKZCVOOSA-N 391.456 2.864 0 3 GFAF CN([C@@H]1c2cc(OCc3ccccc3)ccc2OC(C)(C)[C@H]1O)S(C)(=O)=O 1490283 WHSNUPSZOQRQAB-MOPGFXCFSA-N 391.489 2.730 0 1 GFAF C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 102422865 QYFXCDCMMOGUKW-DSJMHWKBSA-N 392.883 2.554 0 1 GFAF CCC[C@H](O)CN1CC(C)(C)CN(C(=O)c2ccc(SC)cc2)CC1=O 105851179 JIGVBHCKVZBZBZ-INIZCTEOSA-N 378.538 2.880 0 1 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ncoc4-c4ccccc4)C[C@@H]3C2)n1 116822060 OAYYPEVCHFJEPN-QZTJIDSGSA-N 389.459 2.957 0 1 GFAF Cc1ccc(NC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1C 20901515 IFGQNSBHXFAQQU-HNNXBMFYSA-N 385.493 2.889 0 1 GFAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 31483312 FDFUXGSOHNJEAN-AXMCTELYSA-N 386.488 2.703 0 1 GFAF CC[C@@H]1CCCCN1CC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)OC 2106349 FKCDQXJINAXMSS-FOIQADDNSA-N 383.492 2.859 0 1 GFAF biogenic C[C@@]12C[C@@H](C=C3C(=O)O[C@H](c4ccoc4)[C@H](OC(=O)c4ccccc4)[C@@H]31)OC2=O 14929542 BLCLHXISRKTZDM-GOWNKEFISA-N 394.379 2.981 0 1 GFAF biogenic CS[C@]1(Cc2ccccc2)NC(=O)[C@@](Cc2ccccc2)(SC)NC1=O 13449656 JNYUWTYXFKBOOZ-BGYRXZFFSA-N 386.542 2.836 0 1 GFAF biogenic O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN2CC[C@@H](N3CCCC3)[C@H]1C2 71294936 FUZIOWPRBHSDET-QZTJIDSGSA-N 382.335 2.917 0 1 GFAF Cc1cc(C)c(S(=O)(=O)Nc2nc(NCCO)nc3ccccc23)c(C)c1 95872234 KZVJBMKZVGBTEA-UHFFFAOYSA-N 386.477 2.760 0 1 GFAF O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cncnc2)ccc1=O 25435775 MKCDTTNISREXJB-CVEARBPZSA-N 393.491 2.767 0 1 GFAF biogenic CCOCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O 299817013 UJFDLBWYYFZXDS-DPLTVSQISA-N 382.497 2.734 0 1 GFAF O=C(N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587202999 MHIVOBRXZQBOSP-LLVKDONJSA-N 392.774 2.673 0 1 GFAF Cc1ncc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)c1Br 586979409 LXVAKRWIWBMPHC-UHFFFAOYSA-N 381.255 2.652 0 1 GFAF C[C@]1(C2CCS(=O)(=O)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610295 BJLZRFYKZQPXBO-YLJYHZDGSA-N 388.441 2.937 0 1 GFAF COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587404090 UYVPFYNPAJSRHO-NRFANRHFSA-N 383.400 2.579 0 1 GFAF CC1=C[C@@]2(C(C(=O)O)=NN1c1ccc(Cl)cc1)c1c(cnn1C)CCN2C 963956342 WXNSZGBHKIUTHN-LJQANCHMSA-N 385.855 2.621 0 1 GFAF CCN1C=C(C(=O)O)[C@]2(NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962934209 VYZZWMPOWXIZCX-QHCPKHFHSA-N 391.471 2.586 0 1 GFAF CC1(C)C[C@](O)(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CCO1 1772628154 LCIQSZJSKFRPOG-NRFANRHFSA-N 382.464 2.752 0 1 GFAF CCC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 13116625 JPAYKFOGOBDDJL-KCXPTXFHSA-N 396.443 2.750 0 1 GFAF C[C@H](O)C(=O)N[C@@H]1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204995629 ABOAFLYBEQQYKZ-ORAYPTAESA-N 379.460 2.532 0 1 GFAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@H](CO)c2ccc(Cl)cc2)CC1 207097537 ZZTLBDKHELGPGP-QGZVFWFLSA-N 397.928 2.857 0 1 GFAF Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)C(=O)N2 6817059 QVSVMSVEVCUDJY-SNVBAGLBSA-N 393.852 2.976 0 3 GFAF CNCCCOc1cc(NC(=S)NCCCn2cncc2C)ccc1OC 1857751132 HTSCLHLPWPWFLE-UHFFFAOYSA-N 391.541 2.565 0 1 GFAF C[C@@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(c2ccccc2)CC1 2356302875 HUQZATXCFBTGIS-OAHLLOKOSA-N 378.432 2.752 0 1 GFAF C[C@@H](Oc1cc(-c2ccnn2C)cnc1N)c1cc(F)ccc1-n1nccn1 103249665 XASLBBRDSFWNTD-GFCCVEGCSA-N 379.399 2.924 0 1 GFAF O=C(O)CCn1c(SC/C(O)=N/c2nccs2)nc2ccsc2c1=O 20645931 WYCCLLYDQOTRMQ-UHFFFAOYSA-N 396.475 2.770 0 1 GFAF CN(NS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 28761615 BHYOAYXKGFPPQE-UHFFFAOYSA-N 395.289 2.507 0 1 GFAF Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(F)cc4F)nc32)cc1C 21156410 SRHZLNJYMTTXBN-UHFFFAOYSA-N 395.369 2.770 0 1 GFAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCCC(=O)O)C[C@H]2[C@H](O)/C=C/C(=O)O1 26983805 HXHHXTKXCWAIQQ-KPAKZFSHSA-N 394.464 2.768 0 1 GFAF NC1=N[C@@](c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)(C(F)F)COC1 113657811 RASUIEXPAHHRBC-KRWDZBQOSA-N 398.772 2.974 0 1 GFAF FC(F)(F)Oc1ccc(Oc2cc(NCCN3CCOCC3)ncn2)cc1 64549028 YYEVWDURHZYYSH-UHFFFAOYSA-N 384.358 2.912 0 1 GFAF CCCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2112317 YSDIGHFZKNHZIK-RCDICMHDSA-N 396.491 2.898 0 1 GFAF biogenic COc1cc2c(c(OC)c1OC)CCCN1CCC3=C[C@H](OC)[C@H](OC)C[C@@]321 14929846 HNBWTTSZSJRNJF-LRXVAGHRSA-N 389.492 2.920 0 1 GFAF biogenic COCCc1ccc(-c2c(C(C)C)nc3c(N4CCOCC4)nccn23)cn1 147516133 DWDNIIGWJSBLHJ-UHFFFAOYSA-N 381.480 2.940 0 1 GFAF COC1CCC2(CC1)Cc1ccc(-c3ccnnc3)cc1[C@]21N=C(N)N(C)O1 140876764 BYXKRPXQHBVBMW-FBPXKMNZSA-N 379.464 2.620 0 1 GFAF O=C(N[C@H]1CCC[C@@H]1CO)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95594921 QSSYANMMEQLBHR-HIFRSBDPSA-N 377.872 2.975 0 1 GFAF COc1ccc(S(=O)(=O)n2cc(-c3ccnc(N)n3)c3ccccc32)cc1 299851778 JQYRYLKGJRUENK-UHFFFAOYSA-N 380.429 2.926 0 1 GFAF COc1cc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1OC 587202111 FNZSMSGQHNXJKE-HNNXBMFYSA-N 399.403 2.502 0 1 GFAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(C(=O)O)c2O)n1 587946284 VNJMODFRGFNSAZ-UHFFFAOYSA-N 377.353 2.808 0 1 GFAF COC(=O)C(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587807590 LXQKFCQNZOCRRP-NVTQBHAOSA-N 384.245 2.860 0 1 GFAF N=c1[nH]ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587117255 BJJQXKDPCMMDOE-UHFFFAOYSA-N 375.152 2.591 0 1 GFAF CC(=O)N1CCN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)CC1 587398354 FEKAQQOEYSRDGI-OAQYLSRUSA-N 379.460 2.952 0 1 GFAF NC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587020088 WBMKQNJQNAJEFF-UHFFFAOYSA-N 393.428 2.667 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NCC1(C)COC1 1772652964 KPBPFEDQSSJBIT-UHFFFAOYSA-N 377.448 2.668 0 1 GFAF C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 11422462 YNCNZXJRRRALAJ-BLVKFPJESA-N 379.840 2.763 0 1 GFAF O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1 12458537 SYIUHMCBQQTBSP-UHFFFAOYSA-N 394.475 2.987 0 3 GFAF C[C@@](O)(C(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1Cl)C(F)(F)F 13808716 GAFYAXXDUJHTEI-MEBBXXQBSA-N 394.777 2.501 0 1 GFAF Cn1ccc(C2=NC(=O)N[C@@H](c3ccc(C(=O)O)c(O)c3)[C@@H]2c2ccsc2)n1 169702746 ODEXPODBENTCPE-HOTGVXAUSA-N 396.428 2.923 0 1 GFAF O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccccc3)CC2)N1 1857568567 NHQVPJBEDLXMDB-QGZVFWFLSA-N 380.370 2.886 0 1 GFAF CCCc1ccc(OCC(=O)N(CC(=O)Nc2nncs2)C(C)C)cc1 1857590498 WHLIBFAQIKCFPE-UHFFFAOYSA-N 376.482 2.745 0 1 GFAF O=C(NCCCN1CCN(c2ccccn2)CC1)c1ccc2ccccc2n1 1857768619 CUPYWIZBSCPASC-UHFFFAOYSA-N 375.476 2.572 0 1 GFAF CNCCN[C@@H]1CC[C@]23[C@H](O)C[C@@]4(C)CCC[C@@](O)(C4)[C@@H]2C[C@@]32CCC[C@@H]12 2356367646 GXLSAOIQBAQVQI-CSOKRKRASA-N 376.585 2.827 0 1 GFAF COCCNC(=O)[C@@H]1CCCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)C1 6876822 GZBGXGJOYNJWDW-MRXNPFEDSA-N 399.520 2.745 0 1 GFAF CCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3s2)cc1 26469054 VDPYXBKQUUQGAI-LZLYRXPVSA-N 386.473 2.718 0 1 GFAF CN(C)CCc1c[nH]c2ccc(O)c(N3c4ccccc4[C@]4(O)CCN(C)[C@H]34)c12 2356648661 LJSAOKIBMQABTP-DHIUTWEWSA-N 392.503 2.979 0 1 GFAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(nnn2-c2cnccn2)C1 218464227 OKUMEFHRUIWACN-UHFFFAOYSA-N 375.219 2.563 0 1 GFAF COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1O 14646746 DZBHCHXEAGTVGF-LSDHHAIUSA-N 386.400 2.713 0 1 GFAF biogenic COc1ccc([C@@H]2NC(=O)C3=C(N2)N(c2ccccc2)C(=O)N2CCC[C@@H]32)cc1 45259277 DECVRVFTPMBVQD-HKUYNNGSSA-N 390.443 2.729 0 1 GFAF C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C(=O)N1CCN(C)CC1)CC2 20504600 KKGYPARBZLTFDD-XWFZLUIHSA-N 386.536 2.874 0 1 GFAF biogenic COc1cc(CNc2nc(N3CCSCC3)ncc2C)cc(OC)c1OC 82202830 NOQPPACPDSDBMB-UHFFFAOYSA-N 390.509 2.976 0 1 GFAF Cc1nn(C)c2c1-c1cnc(N)c(n1)O[C@@H](C)c1cc(F)ccc1C(=O)N(C)C2 144856676 BOSKQVUEUWJLFT-NSHDSACASA-N 396.426 2.632 0 1 GFAF C[C@H]1C[C@H]1COc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]ccc12 146456516 BYLLNEGCIQBVEM-STQMWFEESA-N 386.473 2.972 0 1 GFAF CC(=O)O[C@H]([C@H](O)C/C(C)=C/CC/C(C)=C/CC/C(=C/CO)CO)C(C)(C)O 238786395 ZJXUGIHNAZCNTF-IDAVGUEDSA-N 398.540 2.804 0 1 GFAF COc1ccc([C@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc1O 653821653 IBGDVWJNEJOUPY-MRXNPFEDSA-N 399.399 2.795 0 1 GFAF CC(C)(C)OC(=O)N1CCN(/C=C2\CCn3c2nc(=O)c2ccccc23)CC1 653874523 HBAPSDOPCYSSIY-CCEZHUSRSA-N 382.464 2.694 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](C)N1C(=O)CCC1=O)O2 587390355 GUKTUJSIICZZRP-RCDICMHDSA-N 378.428 2.975 0 1 GFAF NCCOCCOCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587245509 APAZJOCZNAEXLM-UHFFFAOYSA-N 396.207 2.879 0 1 GFAF COc1ccc(Cl)c2c1CCN[C@]21c2cccnc2S[C@@]12CCOC2=O 963270668 QLHVCLNPMHFVOQ-RTBURBONSA-N 388.876 2.924 0 1 GFAF CCOC(=O)[C@@]1(c2ncccc2C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962766747 PAUXFBSRGWVDBD-DNVCBOLYSA-N 392.377 2.842 0 1 GFAF CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)nnc1Cl 1772622626 MUHNVADDYLCREH-UHFFFAOYSA-N 383.843 2.831 0 1 GFAF O=C([C@@H]1CC=C[C@@H]2CCN(C3CC3)C(=O)[C@@H]21)N1CCN(c2ccccc2)CC1 12479273 AISWANVDFYWQGE-UIFIKXQLSA-N 379.504 2.538 0 3 GFAF O=C(NC1CCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 169704195 QVEBEDUBSUAZSH-QGZVFWFLSA-N 380.427 2.887 0 1 GFAF O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C3Cc4ccccc4C3)[C@H]2C1 3779436 NEGVZYCQCRRXQS-QRTFYFFXSA-N 398.499 2.753 0 1 GFAF COC(=O)c1c(O)c2c(c3c1O[C@@H]1OCCC[C@@H]1C3)O[C@H]1OCCC[C@@H]1C2 1857749330 VLCZSLVUCNVMRL-ILDFCORTSA-N 376.405 2.554 0 1 GFAF CSCCc1nc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)ccc2[nH]c1=O 3955247 RHFNWKOXFCDWKK-SCLBCKFNSA-N 384.505 2.782 0 1 GFAF CCN1CCC[C@H]1CNC(=O)Cn1nc(C)c2sc3ccccc3c2c1=O 6799002 GMDQVOJDVDEZKO-AWEZNQCLSA-N 384.505 2.520 0 1 GFAF O[C@H]1[C@H](N2CCCN(c3ccccc3)CC2)c2ccccc2C12CCNCC2 23311784 WTNOYOMWNGCJCG-PKTZIBPZSA-N 377.532 2.936 0 1 GFAF COc1cc(OCCCCOc2cc(C(=N)N)ccc2OC)cc(C(=N)N)c1 27526857 INIBXVBEIPISHF-UHFFFAOYSA-N 386.452 2.510 0 1 GFAF CCc1c(C(=O)c2cccc3ccccc23)n(COCC2CC2)c(=O)[nH]c1=O 28652505 PALKBVGZOSRKKD-UHFFFAOYSA-N 378.428 2.867 0 1 GFAF CC(=CCCC(C)C)c1ccc(CO[C@@H]2C[C@H](O)[C@@H](O)[C@@H](CO)O2)cc1O 2356807570 XWHFMJTZPNHZQL-JSXRDJHFSA-N 380.481 2.577 0 1 GFAF Cc1c(CCO)sc[n+]1Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1N 29125629 VCDRFAWULPSCQU-UHFFFAOYSA-N 386.341 2.942 0 1 GFAF CC(C)OCCCN1CC(=O)N2CCc3c([nH]c4ccc(F)cc34)[C@]2(C)C1=O 2109144 QNVVXHZGODEIKZ-OAQYLSRUSA-N 387.455 2.564 0 1 GFAF biogenic CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 82208952 SJPRJIPFBGLSOS-SFHVURJKSA-N 392.459 2.753 0 1 GFAF O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CC[C@@]1(CCOC1)C2 144137886 DGTFAVKOOZFPJL-OAQYLSRUSA-N 377.448 2.802 0 1 GFAF COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN3C[C@@H]2CC[C@H]1O 238733608 NXFSMEXZBFREEO-SKGGZBKCSA-N 384.476 2.656 0 1 GFAF CCCNC(=O)N1[C@H](CNC(=O)c2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1CO 95894818 ZJXUDCKKEIQJBB-HSALFYBXSA-N 399.466 2.504 0 1 GFAF O=C(Nc1nc2cc(-c3cncc(F)c3)cc(-c3ncccn3)c2[nH]1)N[C@@H]1CO1 299840174 UUTLYYKBMITNFM-HNNXBMFYSA-N 391.366 2.699 0 1 GFAF CN1CCN(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587349173 YEKXLYYFEGGGHT-IFMALSPDSA-N 384.451 2.896 0 1 GFAF CC(C)(C)Oc1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(N)cc1F 587135883 HJYUVCUKLDVXFW-UHFFFAOYSA-N 378.429 2.776 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(N)=O)cc4[nH]3)CC2)cc1 586955152 LRGYGMMTFKZQTF-UHFFFAOYSA-N 398.488 2.539 0 1 GFAF N[C@H](N=O)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587203080 NFYNDROESJMMLI-NVXWUHKLSA-N 397.391 2.729 0 1 GFAF O=C1CC2(CCOCC2)C[C@]2(C1)N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962964217 JRKXAPNZEUICFT-LIRRHRJNSA-N 399.821 2.962 0 1 GFAF COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)CO)C3)cc1Cl 1772600868 NEMILXQQIBLLNI-UHFFFAOYSA-N 377.824 2.738 0 1 GFAF Cc1cc2c(cc1N1C(=O)c3cccc4cc(N)cc(c34)C1=O)n(C)c(=O)n2C 1772580730 ZIQDIXVWQPULTM-UHFFFAOYSA-N 386.411 2.721 0 1 GFAF NS(=O)(=O)c1cc(C(=O)c2ccc(CNCc3ccccc3)cc2)cs1 13727848 LQTPZSWRMCPHTA-UHFFFAOYSA-N 386.498 2.916 0 1 GFAF O=C1N=C(N2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)O[C@@H]1c1ccccc1 169346477 GHOZSSKWDJVMST-OJLWIZQOSA-N 393.418 2.637 0 1 GFAF O=C(O)c1ccccc1OC(=O)[C@H]1CCCN1C(=O)CC[C@H](O)c1ccccc1 29337954 GVVIUPKACUDUER-MSOLQXFVSA-N 397.427 2.795 0 1 GFAF Nc1ncnc2cc(-c3ccc(N4CCOCC4)nc3)n(Cc3ccccc3)c12 28377600 DFLPOSADCGCQSS-UHFFFAOYSA-N 386.459 2.960 0 1 GFAF COc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3oc2=O)cc1O 28373840 ASMLHOMUCPSCNA-UHFFFAOYSA-N 381.793 2.961 0 1 GFAF CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(Cl)c1 114344334 KTEVQEUEMLYYMP-MRXNPFEDSA-N 385.855 2.763 0 1 GFAF CCC(C)(C)C(=O)C(=O)N1[C@H](C(=O)OCCCc2ccncc2)[C@H]2CC[C@@H]1C2 27298457 JMLRFOPJGOEVRD-KSZLIROESA-N 386.492 2.942 0 1 GFAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@@H](NC(=O)Nc4ccccc4)CO[C@@H]23)n1 2356858561 TVFDGVJXCTXAIZ-MXSMSXNCSA-N 397.479 2.543 0 1 GFAF COC[C@@H](C)Nc1cc(-n2nc(C)c3c2CC(C)(C)CC3=O)ccc1C(N)=O 36741076 LPFYFZQCRJOBCI-GFCCVEGCSA-N 384.480 2.882 0 1 GFAF CC1(C)Oc2cc(F)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccccc3)c(=O)n12 72109084 OUJCPQQANJSWNM-SFHVURJKSA-N 379.391 2.640 0 1 GFAF Cc1cc(=O)oc2c3c(ccc12)OCC(CN1CCCC1)(CN1CCCC1)C3=O 49031398 QXNZVWRWYPXFIJ-UHFFFAOYSA-N 396.487 2.855 0 1 GFAF CC1(C)C[C@]2(CN(S(=O)(=O)c3ccccc3)C(=O)CO2)c2ccccc2O1 45283745 VWADZJRJAUWBAG-FQEVSTJZSA-N 387.457 2.691 0 1 GFAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C[C@H](O)CO)CC3)cc12 226053819 AOMPRQWVOKOUKJ-INIZCTEOSA-N 399.466 2.910 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1cccc(F)c1 95895411 JGTZRTGOYOMWOS-ZVDOUQERSA-N 384.451 2.663 0 1 GFAF CCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(C)c1 96270043 NKFDCMFJEHBWMX-UHFFFAOYSA-N 397.460 2.677 0 1 GFAF O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95667257 KUPOVWXAPOSFHE-NHCUHLMSSA-N 380.463 2.777 0 1 GFAF O=C(NCc1cccnc1)c1sc2c(NO)cc(C(F)(F)F)cc2[n+]1[O-] 263620453 GENRUIYZXCGKPM-UHFFFAOYSA-N 384.339 2.680 0 1 GFAF in-vitro Cn1ncc2c(O)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc21 587661070 LYJBXJRUKQYCOM-UHFFFAOYSA-N 388.362 2.574 0 1 GFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(I)cnc2[nH]1 587093833 HGRPRBLYUJNGEJ-YFKPBYRVSA-N 398.126 2.692 0 1 GFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586941188 QMOZYPRFIHPRQG-HJWRWDBZSA-N 396.472 2.846 0 1 GFAF CNS(=O)(=O)N1CCC(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 586954792 PGSXRRBITJZLFX-UHFFFAOYSA-N 394.444 2.818 0 1 GFAF COC(=O)C[C@H](C)Cc1nc2c(I)cnc(Cl)c2[nH]1 587787464 VXKBAHXVJSAEAO-ZCFIWIBFSA-N 393.612 2.958 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 962924614 ULELABOUNHJTOC-HNAYVOBHSA-N 381.363 2.633 0 1 GFAF C=C(NNC(=S)NNC(=S)Nc1ccccc1Cl)c1ccccn1 1537219 AHKBRSQVOSQELW-UHFFFAOYSA-N 378.914 2.576 0 1 GFAF COc1cc(C(=O)NCc2cccc(N(C)C(C)=O)c2)ccc1-c1cn[nH]c1 1772573475 MXPGRYHHDUVADZ-UHFFFAOYSA-N 378.432 2.998 0 1 GFAF COc1ccc(-c2csc3nc(-c4ccc(S(N)(=O)=O)cc4)nn23)cc1 1772581390 RHIHLJRYWPATPR-UHFFFAOYSA-N 386.458 2.781 0 1 GFAF COc1cc([C@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@]23O)ccc1O 14506013 JDOYVXXEQQTICM-RZTDZLQYSA-N 388.416 2.608 0 1 GFAF endogenous,in-man CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169300756 RJLMGMCXBGHCTN-VWXURSGXSA-N 398.484 2.828 0 1 GFAF CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccco2)cc1 169687358 SYACAHCUKULFTE-NZSAHSFTSA-N 397.427 2.809 0 1 GFAF CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CN)c2c1C 169708350 OLQSDIWIFRBFGG-SECBINFHSA-N 389.456 2.968 0 1 GFAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1noc2c1ccc1ccccc12 1857756578 RURJTHFCGUHOQW-KRWDZBQOSA-N 392.415 2.928 0 1 GFAF CC(=O)c1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)nc1 584603857 VMCFXQPRPSFGDA-UHFFFAOYSA-N 376.416 2.670 0 1 GFAF COc1cccc(CN2CC(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c1 2109640 XZEPJMSTCNHNKJ-HSZRJFAPSA-N 389.455 2.819 0 1 GFAF biogenic CC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 5663052 XUSNIBQZEPHKPC-FQEVSTJZSA-N 397.475 2.514 0 1 GFAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O 6937451 DHXIUTOVMQVAMU-IYBDPMFKSA-N 395.507 2.647 0 1 GFAF O=C1Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N2CCC[C@@H]12 7104436 IJVYXPZDPJNNCU-FQEVSTJZSA-N 376.460 2.570 0 1 GFAF O=C(Nc1ccc2c(c1)OCO2)c1cncc(NS(=O)(=O)c2ccccc2)c1 9151965 LTRQCZWYUYXLNZ-UHFFFAOYSA-N 397.412 2.863 0 1 GFAF O=C(c1ccc(N2CCC(NCc3cccs3)CC2)cc1)N1CCOCC1 12247600 RINSSVFHIMQYBG-UHFFFAOYSA-N 385.533 2.979 0 1 GFAF CN1C(O)=C(C(=O)Nc2ccc(F)cc2F)c2cc(F)ccc2S1(=O)=O 13605540 FOAXLQOQJDHSQH-UHFFFAOYSA-N 384.335 2.603 0 1 GFAF CC(=O)NCC[C@H]1CN(C(=O)/C=C\I)c2ccccc21 17256290 MHGHKECOHLJWOC-VFFGBVLKSA-N 384.217 2.592 0 1 GFAF CC(=O)O[C@H](C)OC(=O)N(C[C@H](O)COc1cccc2[nH]ccc12)C(C)C 26951267 HPPOMZGDDQHFPI-GJZGRUSLSA-N 378.425 2.664 0 1 GFAF CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@H](C)S2)CC1 27524548 XQCMCRJFPLKEPF-JTQLQIEISA-N 377.441 2.605 0 1 GFAF CCOC(=O)C1=C(C)NC(=O)N([P@@]2(=O)NCCCO2)[C@H]1c1ccccc1 84724144 UUNDPPLPIIFODK-QWXGXRTQSA-N 379.353 2.708 0 1 GFAF COc1ccc(C[C@H]2CCn3nncc3COC[C@H](CC(C)C)NC2=O)cc1 95663469 DFMXELOUOUTAGW-MSOLQXFVSA-N 386.496 2.597 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCC3)C23CN(C(=O)COC)C3)cc1 95667411 PLQDIVOQAJECQW-YZXKXSJDSA-N 398.547 2.897 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CNC(C)=O 95895058 VHZPWRJIRZNYCG-ONTIZHBOSA-N 384.451 2.694 0 1 GFAF C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C(=O)O 103298524 MSLRNZRJNPZAOJ-SSDOTTSWSA-N 386.838 2.636 0 1 GFAF COc1cc(-c2ccc3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC 114215089 MAOAPMBIOHALLE-UHFFFAOYSA-N 375.388 2.646 0 1 GFAF Cc1ccccc1-n1c(C)nc2ccc(C(=O)c3c(C)nn(C)c3O)cc2c1=O 299836893 ORLLIQRQKYUIIN-UHFFFAOYSA-N 388.427 2.981 0 1 GFAF CNS(=O)(=O)c1cc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)n(C)c1 586947059 JQCXSQKQFYQYRX-UHFFFAOYSA-N 394.456 2.708 0 1 GFAF O=C1c2ccc(O)cc2OC2(CCS(=O)(=O)CC2)[C@H]1c1ccc(F)cc1 587379289 XUGYQWBZUNNDBA-KRWDZBQOSA-N 376.405 2.838 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C(O)O)N1 587730689 KCZBUVADGLAHED-HUTHGQBESA-N 384.220 2.816 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2cccn2)n1 587871740 BZOQRCHPYQCLRD-UHFFFAOYSA-N 380.383 2.675 0 1 GFAF O=c1c(Br)c(Sc2ccc(Br)cc2)nc(O)n1O 1857771276 WKAXGVGMKNUCHR-UHFFFAOYSA-N 394.044 2.862 0 1 GFAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@H]1O 2356308891 HZSDEDOYFCTAET-HXSSGWAHSA-N 390.568 2.963 0 1 GFAF CC[C@H]1Sc2ccccc2N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 2953504 DHFJBQHJPFIMJK-QGZVFWFLSA-N 384.457 2.949 0 3 GFAF COc1cc(CCCN2C(N)=NC[C@@H]2Cc2ccc(O)cc2)cc(OC)c1OC 13662108 NXVGDDIEYWMFPK-KRWDZBQOSA-N 399.491 2.592 0 3 GFAF CCCC(=O)OC[C@H]1CN(Cc2ccco2)S(=O)(=O)c2c(F)cccc2O1 61931157 FPGALVBQWADWEW-CQSZACIVSA-N 397.424 2.714 0 3 GFAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 2487444 DVYQIHVMUDNWEO-WMZOPIPTSA-N 376.497 2.824 0 1 GFAF CN(C)C(=O)Cn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737495 VNFCLRHXKBVXLN-LAUBAEHRSA-N 394.500 2.711 0 1 GFAF CN(C)[C@H](C1=C(O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1 19318950 MQHUSMJMGDZPKD-IRLDBZIGSA-N 393.487 2.807 0 1 GFAF C[C@H](c1ccccc1)N1C(=O)[C@@H]2CN(C(=O)c3cccc(F)c3)CCN2C1=O 25433834 LXCTXOCCOXCVMY-KDOFPFPSSA-N 381.407 2.676 0 1 GFAF biogenic Cn1nc(C(F)(F)F)cc1CNc1ccc(S(=O)(=O)N2CCCC2)cc1 28958541 UKXMBMMKHJVEHW-UHFFFAOYSA-N 388.415 2.836 0 1 GFAF CCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 43278435 VSERHNDOJAMGCY-UHFFFAOYSA-N 379.404 2.641 0 1 GFAF C[C@H](N)C(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)N[C@@H]1CCCc2ccccc21 45245307 PBFOTDPMLSLTEY-TUKIKUTGSA-N 384.505 2.652 0 1 GFAF CN(C)C1CCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 62225023 OSTZVHOHQKFEFE-OAQYLSRUSA-N 394.498 2.976 0 1 GFAF CS(=O)(=O)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72100855 ASMCJZUIBCOFEO-KRWDZBQOSA-N 383.876 2.541 0 1 GFAF COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1 72317704 HIOGWWRSBGQSBU-UHFFFAOYSA-N 388.899 2.968 0 1 GFAF OCC1CCN(c2nccnc2C2CN(c3ccc4ccc(F)cc4n3)C2)CC1 72318355 SQTHAZLNJPERRC-UHFFFAOYSA-N 393.466 2.976 0 1 GFAF Cc1ncsc1CCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@H](C)CN2 82211686 GXRLIYJYUNPCKX-GFCCVEGCSA-N 391.541 2.852 0 1 GFAF CC(C)[C@H]1COCc2cn(nn2)CC[C@@H](Cc2ccc(Cl)cc2)C(=O)N1 95661911 WCPLUHWZNWKMIC-MAUKXSAKSA-N 376.888 2.852 0 1 GFAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95893675 CEGBGEYQWQMGBL-AQNXPRMDSA-N 379.460 2.595 0 1 GFAF COCCC(=O)N1C[C@@H](c2nc(-c3ccc(F)cc3)no2)C2(CCOCC2)C1 96310339 DUSHWZDDLBQIMK-INIZCTEOSA-N 389.427 2.635 0 1 GFAF COc1cc2c(cc1OC)[C@H]1O[C@H](O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 100771617 XYWRZQQANNOTTD-ZVDOUQERSA-N 385.416 2.724 0 1 GFAF endogenous,in-man O=C(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)NCCO 147391933 UQQVVWIAWCOYJS-UHFFFAOYSA-N 394.456 2.588 0 1 GFAF CNc1nc(Nc2ccc(C(=O)N3C[C@H]4C[C@H]3CO4)cc2OC)ncc1Cl 149549500 IDHZNDGYRNMSEU-NWDGAFQWSA-N 389.843 2.537 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC[C@H]3COC[C@@H]3C2)cc1)N1Cc2ccncc2C1 167857604 XLDPBSVADZSUQK-HKUYNNGSSA-N 392.459 2.738 0 1 GFAF CN(C)Cc1ccc(C(=O)Cn2ncc(OCc3ccccc3)cc2=O)cc1 223884369 KEOJYJBBADDXCT-UHFFFAOYSA-N 377.444 2.767 0 1 GFAF COc1cc2c(cc1OC)[C@H]1O[C@H](O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 238750582 XYWRZQQANNOTTD-SBHAEUEKSA-N 385.416 2.724 0 1 GFAF COC(=O)c1ccnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12 587125749 SZZLPOPOIUGWCR-XCBNKYQSSA-N 380.330 2.916 0 1 GFAF Cn1nc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(F)c1O 587155618 MWTIOBWUCHSUFA-UHFFFAOYSA-N 390.998 2.728 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCCC1)(C1C(=O)OC(C)(C)OC1=O)O2 587407129 AHVDSEULJZMEEF-NRFANRHFSA-N 387.432 2.924 0 1 GFAF COc1cc2c3c(c1)O[C@]1(c4cccc5nc(O)n(c45)CC[C@H]1N=O)[C@@H](C2)C3=O 587435944 KVCJKWTYJDGRGE-CQURBHOASA-N 391.383 2.932 0 1 GFAF COc1ccc2c(c1OC)[C@@](Cc1nc(N)n[nH]1)(c1ccccc1)N(C)[C@H](C)C2 962576138 WNAAEVVHIJLICD-JLCFBVMHSA-N 393.491 2.767 0 1 GFAF Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cn1 1857546436 PSFSTWKZCSDXEM-HNAYVOBHSA-N 397.429 2.636 0 1 GFAF COc1ccc2nc3n(c2c1)[C@H](CNCc1nc2ccccc2n1C)COC3 2356444811 JPHCTJVALBELBL-CQSZACIVSA-N 377.448 2.793 0 1 GFAF CCOC(=O)C1CCN(c2c(N[C@H]3CCCc4ccccc43)c(=O)c2=O)CC1 20330997 VUNCBPWBGIKWBS-KRWDZBQOSA-N 382.460 2.552 0 3 GFAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(F)ccc(F)c12 3591445 IWOHGNFDYTXSAA-UHFFFAOYSA-N 397.381 2.613 0 1 GFAF CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@H]3CC=C[C@@H]4CC(C(=O)O)=C(C1)[C@]432 103524943 GBOTYAJSMKXMGZ-YAWSHKFXSA-N 396.535 2.569 0 1 GFAF biogenic,in-vitro CCO[C@@H]1[C@H]2C[C@H]([C@H](C)O)[C@@H]3N1CCc1c([nH]c4ccccc14)[C@]3(C(=O)OC)C2 101009152 ZCNBXQWUBWONCS-ZOHAUGRBSA-N 398.503 2.589 0 1 GFAF CN(c1ccc(I)cc1)S(=O)(=O)c1ccc(N)cc1 28643121 FRVBVWOMNHSHJD-UHFFFAOYSA-N 388.230 2.699 0 1 GFAF O=C(O)CCCn1cnc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 28356045 ZJLYMFQTKOGRKN-UHFFFAOYSA-N 396.234 2.903 0 1 GFAF O=C(NCCCN1CCOCC1)c1oc(=O)c2ccccc2c1-c1ccccc1 20767485 OOKYCHVZGPOJQZ-UHFFFAOYSA-N 392.455 2.912 0 1 GFAF CC[C@]1(F)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4 25972001 FHTPTLJIUNIMHK-OAQYLSRUSA-N 394.358 2.786 0 1 GFAF CS[C@H]1C(=O)N[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C 2356794164 KYNWNEIOVRAUFT-PKOBYXMFSA-N 394.562 2.911 0 1 GFAF O=C1OC(c2ccccc2)=N/C1=C/N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 34172434 ZYOIGLDLVVSCCT-YPOUMIDOSA-N 375.384 2.598 0 1 GFAF Nc1cncc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)c1 143575366 MKSUWVMQIHHZTG-QGZVFWFLSA-N 379.420 2.846 0 1 GFAF C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)NCC(=O)O)C(=O)O 141024813 JSAOPPSCSSMQLN-KDOFPFPSSA-N 384.432 2.759 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)C23CN(C(=O)NC(C)C)C3)cc1 95668463 CEIDEBHYTMEGBM-WEPWYQGCSA-N 397.519 2.589 0 1 GFAF COCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95873673 BMAVFVJRZCOPFO-AOHZBQACSA-N 394.515 2.751 0 1 GFAF COc1ccccc1OC[C@@H](O)CN1CCC(N2Cc3ccccc3C2=O)CC1 473145548 WWJPTIQVZZTQLJ-IBGZPJMESA-N 396.487 2.555 0 1 GFAF COc1cc(Br)c([C@@H](N)c2nc3cnc(Cl)[nH]c-3n2)cc1OC 586976733 XNQMIRVPTPVDOL-LLVKDONJSA-N 398.648 2.786 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586950874 FEXUVFFFEXBLDW-UHFFFAOYSA-N 380.451 2.528 0 1 GFAF COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587379899 MHTUCANYLAVQOY-WOJBJXKFSA-N 387.819 2.552 0 1 GFAF Clc1nccnc1N1CCC(c2nc3nc(Br)c[nH]c-3n2)CC1 587085120 OFZGFQHYPYVIPW-UHFFFAOYSA-N 394.664 2.894 0 1 GFAF CC[C@]1(C2(C(=O)OC)CC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962644403 QXOYUKBFDMLUFM-FGZHOGPDSA-N 382.460 2.892 0 1 GFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCS(=O)(=O)c2c(F)cccc21 963613699 VPINWWLIJSPWQN-MPBGBICISA-N 391.464 2.798 0 1 GFAF COC(=O)C[C@@]1(Cc2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219661 HUOABZWZRIAWMU-NZQKXSOJSA-N 390.439 2.835 0 1 GFAF C[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 5067709 NKCJLLSGDIRBCN-GDBMZVCRSA-N 375.494 2.550 0 3 GFAF COCCCCCCCOc1cc(C[C@@H]2CN=C(N)N=C2N)ccc1OC 13757856 NNHKDVFXOLTUMW-MRXNPFEDSA-N 376.501 2.515 0 1 GFAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)CCCC(=O)O)/C=C\C(=O)O1 169354436 MOGVXKCDKQZYPO-HROZURICSA-N 394.464 2.768 0 1 GFAF COc1ccc(N(C)c2nc(NCCO)nc3cc(OC)c(OC)cc23)cc1 201827101 NIJJNRZIZCBDNH-UHFFFAOYSA-N 384.436 2.828 0 1 GFAF CN(C(=O)c1ccc2c(c1)CCN2c1nccc(C2CC2)n1)[C@@H]1CCN(C#N)C1 1857585160 LILFYGVHFJUJNI-GOSISDBHSA-N 388.475 2.676 0 1 GFAF Cc1cccc(C(=O)NCC(=O)OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1 3256165 PCIWROXJYZFFKI-VGOFRKELSA-N 386.492 2.695 0 1 GFAF Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)[C@H]3CCCO3)cc2c1 8586227 IXOZFNJFOLNEGL-RTBURBONSA-N 384.476 2.832 0 3 GFAF Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1cc(C)c(O)c(C)c1 29056785 BTWVXGQJZPRRBH-UHFFFAOYSA-N 379.420 2.760 0 1 GFAF CCc1cc(-c2c[nH]c3ncc(-c4cnn(CCN(C)C)c4)cc23)nc(N)n1 116225466 SXIKIZKLTINDTH-UHFFFAOYSA-N 376.468 2.590 0 1 GFAF COc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@H]3Cc1ccccc1 61921448 PGQVEDGRTXLTBI-IBGZPJMESA-N 398.422 2.817 0 3 GFAF O[C@H]1[C@H](O)CO[C@@H](n2cc(Cc3cccc(F)c3)c3c(Cl)cccc32)[C@@H]1O 66111550 YKRINTGIBTYVRU-GSEOLPGOSA-N 391.826 2.636 0 1 GFAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)ncn1 143522473 PDZWNYGCELXEJX-UHFFFAOYSA-N 391.479 2.995 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccccc1F 95895788 JELGKZCIOQUBDC-ZVDOUQERSA-N 384.451 2.663 0 1 GFAF COc1cc(S(=O)(=O)c2ccc([C@@H](C)O)cc2)cc2c3c(oc12)CCNC3 147530337 VXBLRROVYRJIDH-GFCCVEGCSA-N 387.457 2.973 0 1 GFAF COC(=O)C(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591533 HCMCRYIRROOOGG-LAUBAEHRSA-N 382.368 2.635 0 1 GFAF COc1cc([C@@]2(C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC 587399404 KPENVXLNQKVTLC-HXUWFJFHSA-N 387.388 2.548 0 1 GFAF COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)c1cccc(Br)c1CCN2C 963272285 ZAVAJOBSRUPTCR-CHWSQXEVSA-N 396.281 2.505 0 1 GFAF CCN(C[C@@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)S(C)(=O)=O 149596304 NWAJNYUYZADAOP-CQSZACIVSA-N 382.432 2.715 0 1 GFAF Nc1onc(-c2ccc(Cl)s2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 1772639937 FEMMLRHJJPYAGV-UHFFFAOYSA-N 398.853 2.538 0 1 GFAF CCOC(=O)N1CCC(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)CC1 5058714 KBHBWVUEBAMZFE-UHFFFAOYSA-N 378.469 2.546 0 3 GFAF CSC[C@@H](C)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 12307017 AQALSBPACQYNOC-QGZVFWFLSA-N 390.597 2.626 0 3 GFAF CCn1c(-c2nonc2N)nc2cnc(Oc3ccc(NC(C)=O)cc3)cc21 14954288 ATSYBENRLDATJK-UHFFFAOYSA-N 379.380 2.834 0 1 GFAF CC(C)(C)C(=O)CNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166432376 GERFTLMXEKFIPD-UHFFFAOYSA-N 380.448 2.974 0 1 GFAF CN(C(=O)CCSc1nc2cc(Cl)ccc2o1)[C@H]1CCS(=O)(=O)C1 1857565807 HXVPZRLYHCCMHL-NSHDSACASA-N 388.898 2.609 0 1 GFAF C[C@@H]1CN(C)c2ccccc2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 1857767868 QFZWIGXQDJRMES-OAHLLOKOSA-N 385.489 2.847 0 1 GFAF CC(C)NC(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356287358 HQDAZGPRTONRNK-SCTDSRPQSA-N 391.443 2.639 0 1 GFAF COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1cccs1 8582829 UCQRYTYLHYRZDL-UHFFFAOYSA-N 386.429 2.607 0 3 GFAF Nc1ncnc2c1c(-c1ccccc1)nn2CCn1cc(Cc2ccccc2)nn1 66097613 RPJQWWMOIQUETC-UHFFFAOYSA-N 396.458 2.958 0 1 GFAF CCCC(=O)OC[C@@H]1CN(Cc2ccco2)S(=O)(=O)c2c(F)cccc2O1 61931155 FPGALVBQWADWEW-AWEZNQCLSA-N 397.424 2.714 0 3 GFAF CCCC[C@H](O)[C@H](O)C=CC=C(CCCCCCCC(=O)O)C[C@H](O)CO 2356499145 VNDAARHBSHHHLS-SLFFLAALSA-N 386.529 2.940 0 1 GFAF CC[C@H](C)C(=O)OC(C)(C)[C@@H]1O[C@@H]2C=Cc3ccc(=O)oc3[C@@H]2[C@@H]1OC(C)=O 2356652166 RGWXVYCMAYKPRS-ZFESOFFHSA-N 390.432 2.817 0 1 GFAF O=C(NCc1cccnc1)c1cc([C@@H]2CCCCN2C(=O)OCCF)on1 61907334 OLDOOJGGAFOQOH-HNNXBMFYSA-N 376.388 2.633 0 3 GFAF Cc1noc(C)c1CN1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O 20149454 CPCIHSSGZOGHTQ-RTWAWAEBSA-N 378.476 2.986 0 1 GFAF COc1ncc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cn1 219736933 QFVFBPDFNJQVTP-NRFANRHFSA-N 391.471 2.950 0 1 GFAF COc1cc(C(=O)[C@H]2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O 13372358 RKQZQCFXPCRETA-KUHUBIRLSA-N 386.400 2.633 0 1 GFAF biogenic Cc1cccc(S(=O)(=O)c2c(C(=O)NCCO)[nH]c3ccc(Cl)cc23)c1 35001625 YDZAWJGMINBFLT-UHFFFAOYSA-N 392.864 2.685 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587432461 MAKPLDPXRWSFOH-LHSJRXKWSA-N 381.384 2.959 0 1 GFAF CN1CCN(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587599039 YNRFGTXBAJAFMF-SIKLNZKXSA-N 396.487 2.996 0 1 GFAF NS(=O)(=O)Cc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 586930999 YQJQPPNHUXJSDL-UHFFFAOYSA-N 384.230 2.920 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CN(C(=O)C(F)(F)F)C2)N1 587708562 BJWRGBJAMIGBCW-ZETCQYMHSA-N 381.167 2.722 0 1 GFAF Nc1ncnc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc12 587154512 RILFYMKHTSWELF-UHFFFAOYSA-N 378.367 2.759 0 1 GFAF CCOc1n[nH]c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1Br 586979545 PCTGLDMEYXXRPD-UHFFFAOYSA-N 377.124 2.875 0 1 GFAF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587610517 YBNJGEJPVBXDDX-PXNSSMCTSA-N 397.408 2.894 0 1 GFAF CSc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963226349 LPVTYDBXXCIGKX-GHTZIAJQSA-N 391.452 2.751 0 1 GFAF CCc1nn(CC(=O)N[C@H](C)CCc2ccco2)c(=O)c2cc3occc3n12 5149462 MNKBOHZVMOKNBH-CYBMUJFWSA-N 382.420 2.535 0 1 GFAF CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@@H](OCCC(C)C)C1 13450276 GPPOIHPRUJCQTN-UYAOXDASSA-N 393.504 2.904 0 1 GFAF COc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)OC(C)(C)[C@@H](O)C2 14559828 JHGBGRLHQJNGPN-SFHVURJKSA-N 384.384 2.954 0 1 GFAF endogenous,in-man COc1cc2c(c3c1OCO3)C[C@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 15274389 SOBPDDCRKOMPSD-ZDUSSCGKSA-N 383.400 2.913 0 1 GFAF biogenic Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)N(C)C 26834468 MDTMCHLPEWCDEO-LEWJYISDSA-N 396.487 2.520 0 1 GFAF Cc1cc(C(=O)NCCN(C)C)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1 66258398 YSFGSOSYYRNNMS-UHFFFAOYSA-N 386.481 2.868 0 1 GFAF Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1O)c1cn(C)cn1 71333070 VYENVOZAKAKNOI-IBGZPJMESA-N 378.432 2.852 0 1 GFAF CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1 96167850 HMTSAUUBFGGHFU-UHFFFAOYSA-N 395.426 2.685 0 1 GFAF O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)c1ccc(Cl)c(Cl)c1 195316741 YEFCTMCIJSAHED-RMSWWNFNSA-N 377.227 2.691 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CCC[C@H](O)C1 222368501 SKLNJZRVHSSOOX-KGLIPLIRSA-N 391.475 2.935 0 1 GFAF COc1ccc(OC)c(C(=O)NCCc2cc(OC)c(OC)c(OC)c2)c1 238748357 ARQMJAAVSVYSPT-UHFFFAOYSA-N 375.421 2.702 0 1 GFAF CC[C@H](c1nc2cc(N)c(N)cc2[nH]1)n1cc(I)c(C)n1 587185721 XBNVFTSMIGMUTM-CYBMUJFWSA-N 396.236 2.836 0 1 GFAF COC(=O)C1=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(F)ccc2O1 587428659 PQDBQFGVFHUJCI-SZNDQCEHSA-N 382.343 2.927 0 1 GFAF COc1cc2c3c(c1)O[C@](Cc1cnn(-c4ccccc4)c1)(C(=O)O)[C@@H](C2)C3=O 587433396 XFKBZLSGILYWJC-JTSKRJEESA-N 390.395 2.694 0 1 GFAF Cc1nn(C)c(C)c1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582596 QDDPFGGWEUJYFS-DYESRHJHSA-N 394.383 2.684 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@]1(C[C@H](OC(C)(C)C)[C@H]1n1cccn1)NCC2 962924186 NTTYPBZTJVLHAS-JQVVWYNYSA-N 382.508 2.755 0 1 GFAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)C34CC(C3)C4)cs2)CO1 1772572900 APBYGJMZUBCXKD-GRKZCLODSA-N 378.523 2.773 0 1 GFAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCCc4cccnc4)c(=O)n1c23 1857576482 GXOQQRMUHYNEDF-LBPRGKRZSA-N 381.407 2.721 0 1 GFAF Cc1cc(C)c2c(=O)n(CC(=O)N3CCC(N4CCCCC4)CC3)sc2n1 5036164 RZHFNSLEZMMOBV-UHFFFAOYSA-N 388.537 2.552 0 3 GFAF N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 3784587 LHFGKSNSZPZEPC-MRVPVSSYSA-N 399.344 2.730 0 1 GFAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4045159 UUERVZOSVGQPSA-UEXHFKJGSA-N 399.491 2.961 0 1 GFAF C[C@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)[C@@H]1C 4675834 PHTKJTQURPUOOM-SCTDSRPQSA-N 399.601 2.760 0 1 GFAF COCc1n(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C 13651161 JAGYDRFDODUGKO-HXUWFJFHSA-N 377.464 2.761 0 1 GFAF CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(Cl)cc1 27310337 MGSQIJKBYOYTMF-UONOGXRCSA-N 383.853 2.637 0 1 GFAF COc1cc2c(cc1OC)[C@@H]([C@@H]1OC(=O)c3cc4c(cc31)OCO4)N(C)CC2 34654089 AGPVTPPNIRQNPQ-VQTJNVASSA-N 383.400 2.873 0 1 GFAF biogenic CN(C)CC(C)(C)CNC(=O)[C@@H]1CCCN1c1nccc(Nc2ccccc2)n1 39301045 LMSPZBUVFBBWQX-SFHVURJKSA-N 396.539 2.893 0 1 GFAF N#Cc1c(N)nc2c(c1N)[C@@H](C(C#N)C#N)c1cc(Br)ccc1O2 53277591 XBAMXTUCZDDBAM-LBPRGKRZSA-N 381.193 2.781 0 1 GFAF COc1cc([C@H]2OC[C@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@]32O)ccc1O 85911085 JDOYVXXEQQTICM-VJICWTENSA-N 388.416 2.608 0 1 GFAF in-man CCCSc1nc(NC)ncc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95574904 FZJGLFGFJINUAX-RVVDASHESA-N 376.526 2.690 0 1 GFAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3nccs3)C2)N1CC1CCOCC1 95796252 CLNVEMGQHOOMFT-TZIWHRDSSA-N 399.560 2.584 0 1 GFAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F 95893658 QAQHZZQWCPTAPX-XUVXKRRUSA-N 397.450 2.733 0 1 GFAF FC(F)(F)COc1nccc2c1C(c1ccnc(N3CCOCC3)c1)=NC2 96175985 PDURPOFISZYTRE-UHFFFAOYSA-N 378.354 2.605 0 1 GFAF CC(=O)O[C@H](C)[C@H]1CC[C@]2(O)[C@]3(O)C[C@@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C 96903855 CZFZYEPCYFVTBZ-NWUCDKBLSA-N 392.536 2.798 0 1 GFAF O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)[C@@H]1C(=O)c1cccs1 100281437 LAKHKGBLDBNBHN-IAGOWNOFSA-N 377.425 2.690 0 1 GFAF Cc1ccc2c(c1)[n+]([O-])c(C(=O)NCc1ccc(C(F)(F)F)cc1)c(C)[n+]2[O-] 102246720 QGWUUMXBBZCBML-UHFFFAOYSA-N 391.349 2.672 0 1 GFAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cn1nnc2ccccc21 103168803 SVPLBPFMIBUFNH-UHFFFAOYSA-N 383.411 2.884 0 1 GFAF Cc1ccc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 142467613 KXFMQCXSAQYXGO-UHFFFAOYSA-N 380.901 2.623 0 1 GFAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccc(CO)cn4)n3)ccc2[nH]1 145309783 GBTUSJNYPFASFH-UHFFFAOYSA-N 388.431 2.958 0 1 GFAF CN1CCC(CNC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 165821125 MIIOHLUVFCURCG-UHFFFAOYSA-N 393.491 2.701 0 1 GFAF CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1 205255968 KBYQJTFOVSYTAY-HNNXBMFYSA-N 388.479 2.831 0 1 GFAF COC(=O)c1cc2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc2cc1OC 587044258 YGOQTMWTNVQHAW-CYBMUJFWSA-N 377.466 2.978 0 1 GFAF Sc1nc(S)c2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 587085097 OBFBBDCJNAXXGW-UHFFFAOYSA-N 379.902 2.758 0 1 GFAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587087125 HYTFZLIMUOMKAO-UHFFFAOYSA-N 385.836 2.988 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H](C(=O)O)[C@@H](C(=O)O)C2)N1 587829402 WNROCAIKOWJULP-JEZHCXPESA-N 386.217 2.513 0 1 GFAF COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cccnc2)CC1 653723542 NJRPVPREOSVFPG-UHFFFAOYSA-N 387.447 2.546 0 1 GFAF CCNC(=O)Nc1cn([C@H]2CCN(C)C2=O)c2cc(-c3cccnc3)cnc12 653763000 ZFKMXFSDIMHLLR-INIZCTEOSA-N 378.436 2.643 0 1 GFAF CN(C)c1cc(Br)cnc1[C@H]1NCCc2c(C(=O)O)cccc21 963130606 KYAPFGGECDEHCH-HNNXBMFYSA-N 376.254 2.843 0 1 GFAF COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3c(OC)ccc(OC)c32)cn1 963605696 HBFHCFKLRSDFNM-ASSNKEHSSA-N 386.448 2.750 0 1 GFAF Cc1ccn(C)c1C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 1772584608 WYCQTRDSEKBDJH-UHFFFAOYSA-N 377.448 2.828 0 1 GFAF Nc1nn(Cc2nnc(S)n2-c2ccccc2)c2nc(C(F)(F)F)ccc12 1857612512 VZEWQINJDUANFP-UHFFFAOYSA-N 391.382 2.950 0 1 GFAF O=C(c1cnn(-c2nc(O)c3ccsc3n2)c1)N1CCC(C(F)(F)F)CC1 1857620042 ALEKWKBXDQOCBN-UHFFFAOYSA-N 397.382 2.997 0 1 GFAF O=C(N[C@@H]1[C@H](c2ccccc2)C[C@H](O)[C@H]1O)c1cccnc1Oc1ccccc1 2356287190 DQWJQTGSJUUJEP-UWHLTILDSA-N 390.439 2.882 0 1 GFAF CC[C@@H]1[C@@H]2C3=[N+](CCC[C@@H]2O[C@]12C=C(C)C(=O)O2)C(=C1C[C@H](C)C(=O)O1)C=C3 2356318490 UDKJIHKZUSEEJY-LPSRJRFZSA-N 384.452 2.839 0 1 GFAF CC1(C)OC[C@](CO)([C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@@H]3CC[C@@H](O)[C@@]4(C)CO)C2)O1 2356408829 QQACSPRYRQAXGF-IFDAEIQRSA-N 380.525 2.633 0 1 GFAF O=C(Nc1nccs1)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2=CCCC2)nn1 2356851969 QLROOMIQQJMZOG-ARFHVFGLSA-N 384.509 2.651 0 1 GFAF C[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 5067792 TYSLUJDSUVKGBT-OAHLLOKOSA-N 395.484 2.833 0 3 GFAF CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](C2CC2)[C@H]1CCCO 13656956 HMTZXNJOIMGSQW-XCGNWRKASA-N 399.491 2.871 0 3 GFAF COC[C@@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 15065471 SHNKHWJPJPVARN-QGZVFWFLSA-N 383.492 2.890 0 3 GFAF O=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCc2ccccc2C1 20155677 FWHPFMVXCBXPSG-UHFFFAOYSA-N 394.450 2.983 0 3 GFAF CC(=O)O[C@H]([C@@H](O)CC(C)=CCCC(C)=CCCC(=CCO)CO)C(C)(C)O 2356405633 ZJXUGIHNAZCNTF-LEWJYISDSA-N 398.540 2.804 0 1 GFAF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4054849 IQMDZIQGDOQBGL-IEBWSBKVSA-N 388.851 2.557 0 1 GFAF Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[n+]([O-])c2cc(F)ccc2[n+]1[O-] 102222484 MQHXXTDZUQGQGD-UHFFFAOYSA-N 395.312 2.503 0 1 GFAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1[nH]c(CC)nc1Cl 35900822 CEGVXTFEULDOLA-AWEZNQCLSA-N 381.860 2.987 0 1 GFAF Nc1nc(-n2ncc3ccccc32)nc(NC2CCOCC2)c1Br 217073584 PXOKRGLRJOJXLP-UHFFFAOYSA-N 389.257 2.751 0 1 GFAF CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(C)[C@@H]1C(C)(C)CC[C@H]2O 85542455 ZPZIYHULOGDSFI-TUMAWLQPSA-N 394.508 2.756 0 1 GFAF biogenic,in-vitro CCOC(=O)CN1CCN(c2ncc(C)c(Nc3ccc4c(c3)CCC4)n2)CC1 82203868 OMLZUKTUVQXAIK-UHFFFAOYSA-N 395.507 2.702 0 1 GFAF COc1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cncnc3)c2=O)cc1 25411674 JISYAVHSLHYTIN-MSOLQXFVSA-N 388.471 2.933 0 1 GFAF biogenic CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(C)=O 95894950 XKSXBKSIMCJEBG-FKBYEOEOSA-N 395.503 2.738 0 1 GFAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cnc4ccccc4c3[nH]2)cc1 586931853 MNYXWIHMPLWEOU-UHFFFAOYSA-N 382.445 2.940 0 1 GFAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)ncc2[nH]1 586950521 YKFWGEPNDYYRAB-UHFFFAOYSA-N 381.255 2.683 0 1 GFAF O=S(=O)(c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1)N1CCOCC1 587026839 YNKMKJLZKYOZKH-DAFODLJHSA-N 375.475 2.816 0 1 GFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587226133 VTKOZCBJGHHLPH-CYBMUJFWSA-N 379.395 2.971 0 1 GFAF CCOC(=O)C(=O)C[C@]1(C(F)F)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962618189 DAKNXMZQHMRGIW-JEOXALJRSA-N 385.407 2.563 0 1 GFAF Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@H](O)CNC(C)C 13555948 VZPAOCHCLZMTIZ-HXUWFJFHSA-N 393.487 2.537 0 1 GFAF CCOC(=O)[C@@H]1C(C)=Nc2nc(SC)nn2[C@@H]1c1ccc(C(=O)OC)cc1 169688403 WLUJAGFOOWEHAM-ZIAGYGMSSA-N 388.449 2.661 0 1 GFAF Cc1cc(CNc2nc(Nc3cc(C)[nH]n3)cc(OCCN3CCCC3)n2)on1 203004799 DOFQMTTWPZOEQA-UHFFFAOYSA-N 398.471 2.635 0 1 GFAF CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c1 4055222 VGJAMQQXZLGRKK-IEBWSBKVSA-N 388.851 2.939 0 1 GFAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O 4393781 IWJGMNXHWPYORN-XPLDUGHQSA-N 390.567 2.743 0 1 GFAF CCCCCNC(=O)[C@@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 6273379 YSDIGHFZKNHZIK-PEBXRYMYSA-N 396.491 2.898 0 1 GFAF biogenic CCOc1ccc(NC(=O)Cn2cnc3nc4c(cc3c2=O)CCCC4)cc1 8610402 ROCBWDTVNMMIJD-UHFFFAOYSA-N 378.432 2.708 0 1 GFAF CC(C)c1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1 45336921 WEPVSZQVQNITEF-QFIPXVFZSA-N 386.459 2.692 0 1 GFAF O=C(NC[C@H]1CN(c2ccc(N3CCCC3=O)cc2)C(=O)O1)c1cccs1 59549966 XVEMBZCTWXFDEQ-HNNXBMFYSA-N 385.445 2.630 0 1 GFAF CCOCOC[C@@H]1CS[C@@H](c2cc(Br)c(O)c(OC)c2)N1 95535217 KZYARPHOOFOWST-YGRLFVJLSA-N 378.288 2.878 0 1 GFAF COc1ccc(-n2cnc3c(sc4ncnc(NCCCCO)c43)c2=O)cc1 95559490 NMNSVVNVEQFHNE-UHFFFAOYSA-N 397.460 2.583 0 1 GFAF CC(C)N1CCC[C@H]1C(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1 95576585 XDHQVHVOFHWRNB-SFHVURJKSA-N 380.496 2.949 0 1 GFAF in-vitro COc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1OC 149989364 IOTVJVOERPUNCA-UHFFFAOYSA-N 384.417 2.574 0 1 GFAF Cc1cccc(Nc2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1 205024005 SARWTCGSNKQIDB-NVNXTCNLSA-N 389.419 2.536 0 1 GFAF COc1ccc2c(c1)[C@@]13CCN(C)/C=C4\[C@@H](C)OC[C@@H]([C@@H]1N2C(C)=O)[C@H]4CC3=O 238771853 CGCVCRNBATWZMJ-UREJZHIRSA-N 396.487 2.511 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CC[C@@]1(CS(=O)(=O)O)C4(C)C)[C@@H](C2)C3=O 587451471 YEJDXYDUWAXDHP-WXJMYEGYSA-N 392.473 2.896 0 1 GFAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)n1 587587577 NGYHTFHRIAUGRY-QAPCUYQASA-N 380.356 2.902 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587610149 PGSDPVDPRKIEQZ-XXHMAFKTSA-N 384.384 2.692 0 1 GFAF COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1c(F)cccc1F 587650557 ZBYRLKYPRHRLTI-UHFFFAOYSA-N 393.367 2.867 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CO)c1ccccc12 587766208 FWFYTMHSDZVLBB-MLCYQJTMSA-N 391.240 2.662 0 1 GFAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230882 QKYOIWJHKNLDNS-FXAWDEMLSA-N 393.491 2.846 0 1 GFAF CC(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)Nc1ccc(Oc2ccccc2)cc1 2356875457 ZQJOKHUICKYDOC-YSTOQKLRSA-N 398.415 2.698 0 1 GFAF C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 4328239 GWOMEUXCLIGNII-HNKLIODVSA-N 390.524 2.652 0 3 GFAF CC[C@@H](C(=O)NCc1ccccc1OC)n1nc(C)n2c(cc3occc32)c1=O 5149783 YAQDGEZQJKFUGT-HNNXBMFYSA-N 394.431 2.827 0 3 GFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ncoc4-c4ccccc4)C[C@H]3C2)n1 116822062 OAYYPEVCHFJEPN-ROUUACIJSA-N 389.459 2.957 0 1 GFAF O=C(c1cnccn1)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 61969739 UAEOCHHAUUYWLP-SFHVURJKSA-N 385.899 2.557 0 3 GFAF Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2CC(C)(C)O 117717365 UANLRIVCVVGKRT-UHFFFAOYSA-N 375.432 2.668 0 1 GFAF CC(=O)C[C@]1(O)C(=O)c2c(O)ccc(O)c2C12Oc1cccc3cccc(c13)O2 2356559303 FNLORMFZWKRPDK-NRFANRHFSA-N 392.363 2.782 0 1 GFAF CCCCCc1cc(O)c(CCCC)c(O)c1[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O 2356727313 BXDSSSHSCHNSBQ-YJYUEKBASA-N 382.497 2.716 0 1 GFAF O=C(Nc1ccc(OCc2cc(O)n3ncnc3n2)cc1)c1ccc(F)cc1 21093402 JVKAAIAMICAZMP-UHFFFAOYSA-N 379.351 2.800 0 1 GFAF COc1ccc2ccc(=O)oc2c1[C@@H]1O[C@H]1[C@](C)(O)COC(=O)CC(C)C 13383926 BDNFWOZHIWESCR-XUVXKRRUSA-N 376.405 2.582 0 1 GFAF biogenic CN[C@@H](C)C(=O)Nc1nc2c(s1)CCCC[C@@H]2C(=O)NCc1ccccc1 45244854 IGWDIUYQUQJIRL-ZFWWWQNUSA-N 386.521 2.816 0 1 GFAF CN1CCN(c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)CC1 146874969 KDILXPWBWALZBX-GASCZTMLSA-N 396.520 2.860 0 1 GFAF CCCNC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O 95894861 BRJDXNPJZHGCOW-ACRUOGEOSA-N 385.508 2.638 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2S(C)(=O)=O)N1 587838000 AQNOYNVOSXJVMK-VFZGTOFNSA-N 387.274 2.821 0 1 GFAF O=c1cccc(-c2nc3c(O)ncnc3[nH]2)n1CCOc1ccccc1Cl 587064166 NRHACUXKMFXOBD-UHFFFAOYSA-N 383.795 2.620 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(N)=O)n(C)c2)N1 587750663 JKRXIQAVQDWGTG-XLFHBGCDSA-N 380.261 2.823 0 1 GFAF COc1cc2c3c(c1)O[C@@](c1cccc4cc(OC)ccc14)(C(O)O)[C@@H](C2)C3=O 587443414 QFZNBBREPVRSTP-FDDCHVKYSA-N 392.407 2.811 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@@]1(CS(=O)(=O)O)C4(C)C)[C@@H](C2)C3=O 587451463 YEJDXYDUWAXDHP-GREUMRBKSA-N 392.473 2.896 0 1 GFAF O=C(CSc1ccncc1)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 11913143 MCCCGUZGRRGJPJ-INIZCTEOSA-N 378.457 2.751 0 1 GFAF CCOCCCN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 11967869 TYMKPYGHXIQZGU-OAHLLOKOSA-N 382.888 2.966 0 1 GFAF O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)Oc1cccc2cccnc12 13153458 JNZQRBWGCFZPOE-KZVWXAQQSA-N 388.423 2.583 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)cc(OC)c1O 169224258 FVHJOQIXLMDURD-FOIQADDNSA-N 390.432 2.553 0 1 GFAF CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 169355474 FMJOKPRBXJEFND-NEYJZJCJSA-N 376.449 2.630 0 1 GFAF CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccncc4)c23)c1 204891078 FLWDQXQPTMVOLP-UHFFFAOYSA-N 380.433 2.672 0 1 GFAF Cc1nc(N2CCOCC2)c2nc(-c3ccccc3)n(CCN3CCCC3)c2n1 7991828 LMFZFUNNKMCXDV-UHFFFAOYSA-N 392.507 2.734 0 1 GFAF N=C(N)N1CCc2ccc(OCC3CCN(Cc4ccccn4)CC3)cc2C1 12354954 YPFNMUOWFWIEFV-UHFFFAOYSA-N 379.508 2.624 0 1 GFAF N=C(N)c1ccc2oc(C[C@@H](C(=O)O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1 13735911 BUZIFYFUSBPIJE-PKOBYXMFSA-N 393.443 2.868 0 1 GFAF COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(O)c3)[C@@H]2COC(C)=O)ccc1O 14642063 HTVQTABGEGXRHO-ZOCZFRKYSA-N 388.416 2.922 0 1 GFAF biogenic COc1ccc(CNc2nc(NC(=O)CC(C)=O)nc3c2ncn3C(C)C)cc1 28641420 AIEJEGOJSNWOCQ-UHFFFAOYSA-N 396.451 2.946 0 1 GFAF Cn1c(=O)c2ccccc2n(Cc2nc3ccccc3n2CCCCF)c1=O 28824458 KVTXLUZKHUCPRZ-UHFFFAOYSA-N 380.423 2.848 0 1 GFAF CC(C)[C@@H]1CCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891853 HGEFPGVVQSTWMX-HKUYNNGSSA-N 376.522 2.599 0 1 GFAF C/C(=C(\CCO)SCOC(=O)C(C)(C)C)N(C=O)Cc1ccc(C)nc1N 28976203 RJVPIXYYLUDYCK-PEZBUJJGSA-N 395.525 2.825 0 1 GFAF O=C1O[C@@H](c2ccccc2)C(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 103208213 NGKFPBYOWOUBLD-IBGZPJMESA-N 383.423 2.668 0 1 GFAF COc1ccc(OCCN2CCN(C(=O)c3ccc(OC)cc3)C[C@H]2C)cc1 205776567 ZQKCHIRJVKTOHH-QGZVFWFLSA-N 384.476 2.929 0 1 GFAF COc1ccc2c(c1)c(CO)c1n2CCN2C(=O)c3cc(F)ccc3N(C)[C@@H]12 222001319 JWIGIQFUBGQGFC-HXUWFJFHSA-N 381.407 2.886 0 1 GFAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C[C@H](O)CO)CC3)cc12 226099258 NDLAFOKSJSLKGG-INIZCTEOSA-N 397.450 2.820 0 1 GFAF COc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1 261166944 SCFDBTRULYKOGY-UHFFFAOYSA-N 395.467 2.804 0 1 GFAF Oc1nc(CN2CCOCC2)nc2c1[C@@H]1CCCN1C(=S)N2c1ccccc1 473094015 UXCSLVXDPUPKOX-HNNXBMFYSA-N 397.504 2.588 0 1 GFAF COc1cc(Br)c([C@@H](N)c2nc3ccc(CO)cc3[nH]2)cc1OC 586974672 FUSYNIXQTZXBPV-MRXNPFEDSA-N 392.253 2.883 0 1 GFAF O=C(NCc1nc2nc(Br)c[nH]c-2n1)c1cc2c(s1)CCC2 587033970 DBRUYGWXHBUCQC-UHFFFAOYSA-N 378.255 2.547 0 1 GFAF O=C(CSCc1nc2c(O)nc(O)nc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114646 VVVDLXWQZYXEPQ-UHFFFAOYSA-N 399.354 2.655 0 1 GFAF O=C(O)CCNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587217367 VIOPTHRWNRFAPQ-UHFFFAOYSA-N 382.441 2.753 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 587517694 SFMGIMUUEAVDSL-JOCHJYFZSA-N 396.443 2.600 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C2)N1 587790555 DHZTVXVNXUMHGH-VNYKRWIESA-N 397.288 2.790 0 1 GFAF C[C@]1(c2ccc(C(=O)O)o2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962674063 VHEXJXKYNTULLX-NHCUHLMSSA-N 380.400 2.888 0 1 GFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccncc2)(c2ccccn2)N1 963222209 KMJCFJMTLOZVPI-REWPJTCUSA-N 382.423 2.916 0 1 GFAF COc1cc(OC)c(-c2cn3ccc(N4CCC(N)CC4)nc3n2)cc1Cl 1857620663 ZZLJSRDSGCCTEY-UHFFFAOYSA-N 387.871 2.994 0 1 GFAF CC1(C)C=Cc2c(cc(O)c3c2O[C@H]2C(=O)[C@@]4(C[C@@H]2C3=O)OC(=O)CC4(C)C)O1 1857632432 XTCMLRXJRULZJN-ZRRIENIHSA-N 398.411 2.821 0 1 GFAF CN(C)[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 2356495306 OELGKSSJJXGXLW-TVFCKZIOSA-N 395.425 2.624 0 1 GFAF CC(=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@@]2(C)CC[C@@H](O2)[C@@H]1C)C(N)=O 2356535664 GRVRRAOIXXYICO-YCONVGLPSA-N 395.540 2.534 0 1 GFAF CCCCCc1cc(O)c(CCCC)c(O)c1[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O 2356727310 BXDSSSHSCHNSBQ-IQRDPNKZSA-N 382.497 2.716 0 1 GFAF O=C(Nc1nccs1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(-c2ccccc2)nn1 2356750866 JOZZIFDQLUCCGP-YESZJQIVSA-N 394.504 2.751 0 1 GFAF COc1cc(C[C@@H]2[C@@H](Cc3ccc4c(c3)OCO4)CO[C@H]2O)cc2c1OCO2 14770304 OESUUVYVASHNOY-PDSXEYIOSA-N 386.400 2.519 0 1 GFAF biogenic CC1(C)OC(=O)[C@@]2(COc3ccc4c(=O)cc(-c5ccccc5)oc4c32)[C@@H]1O 15257290 GSGHBAQDHGCTPP-DENIHFKCSA-N 378.380 2.787 0 1 GFAF biogenic CNC(=O)CN1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1 28896508 JMOMBPSAYLGZAN-CYBMUJFWSA-N 398.898 2.901 0 1 GFAF O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCC[C@@H](O)C1 29246335 LGEFUULZFBKJPS-QZTJIDSGSA-N 399.491 2.775 0 1 GFAF CC(C)COC(=O)N1CCN(c2ccc([C@@H]3CC(C(=O)O)=NO3)cc2)CC1 40918591 OWKHITJSUMSTOC-KRWDZBQOSA-N 375.425 2.503 0 1 GFAF Cc1c(OCCOc2ccccc2)ccc2c(N3CCNCC3)cc(=O)oc12 49942645 UUWHFEREZKGKSG-UHFFFAOYSA-N 380.444 2.969 0 1 GFAF CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1 95564204 RACXBGIDSNEZCG-UHFFFAOYSA-N 394.401 2.748 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)C1CCCCC1 95668310 WFMHLEFCAKKKCY-XUVXKRRUSA-N 387.524 2.631 0 1 GFAF O=C1CN(Cc2ccccc2)C[C@@H]2[C@H](c3ccc(-c4cccnc4)cc3)[C@@H](CO)N12 95866915 OTHCUXKQWPEOHO-OYRHQHFDSA-N 399.494 2.920 0 1 GFAF COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl 95893932 SRLOYXLMZJAYMN-SBHAEUEKSA-N 386.879 2.662 0 1 GFAF NS(=O)(=O)c1cc(NC(=O)NOCc2ccccc2)c(Cl)cc1Cl 169351752 GRUFKSMDCIXQKT-UHFFFAOYSA-N 390.248 2.894 0 1 GFAF O=c1n(S(=O)(=O)c2ccc(Cl)cc2)cc(O)n1-c1ccc(Cl)cc1 169715255 MRWZVPKTRYKFRS-UHFFFAOYSA-N 385.228 2.888 0 1 GFAF O=S(=O)(/C=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1 586924264 NLZRLTUJCIIJCY-MDWZMJQESA-N 383.473 2.840 0 1 GFAF Nc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1N 586953410 NRCZACCSNMVYPX-UHFFFAOYSA-N 386.462 2.652 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2S(C)(=O)=O)N1 587851300 VNAAWVVZRYRZRJ-DFKRKDTASA-N 376.291 2.915 0 1 GFAF CCc1cc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)n[nH]1 963147100 NWJYYKCIDJAHAF-OLZOCXBDSA-N 378.454 2.764 0 1 GFAF C[C@]1([C@H]2CCOC2=O)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963196333 SUKZYXDSBYQFIV-SVIKCVJRSA-N 377.746 2.736 0 1 GFAF COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)NCCc2ccc(O)cc21 963351187 FMSPXYOIWVKWKR-JOCHJYFZSA-N 383.444 2.701 0 1 GFAF C[S@](=O)(=NC#N)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 1772637403 SKVLYFDLKSNGSZ-MUUNZHRXSA-N 392.444 2.916 0 1 GFAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@H]1CNCc1cccnc1 2356407216 SMIWJKGOKVPEJR-VWPQPMDRSA-N 379.460 2.977 0 1 GFAF CCCNC(=O)N1[C@@H]2CN(C(=O)Nc3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO 95893554 STZOAQMOEDRGMZ-AABGKKOBSA-N 394.475 2.987 0 3 GFAF Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1CCCn1ccnc1 199231920 CZZFAKDWWQSHSE-FQEVSTJZSA-N 386.521 2.863 0 3 GFAF Cc1ccccc1CNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 263590697 JDXKUNIDWZKHPK-CTVDGRRTSA-N 388.467 2.593 0 3 GFAF COc1ccc([C@@H]2c3cc4c(c(OC)c3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc1OC 14641192 MLANVLKQFOVBHC-DPMMWBKBSA-N 398.411 2.918 0 1 GFAF biogenic Brc1cnn2c(NCc3cccnc3)cc(C3CCNCC3)nc12 28958991 IUARYRNDPHIJMI-UHFFFAOYSA-N 387.285 2.966 0 1 GFAF O=C1NCc2c1cc(N1CCNCC1)nc2-c1ccnc(NC2CCCCC2)c1 58575058 CJJASWBBFFHYHU-UHFFFAOYSA-N 392.507 2.541 0 1 GFAF CN1CCC(Nc2ccc3ncc(-c4cnn(-c5ccc(F)cn5)c4)n3n2)CC1 96937462 ZDSIFJWILYIOPS-UHFFFAOYSA-N 392.442 2.622 0 1 GFAF Cc1cccc(C(=O)N[C@@]23CCC[C@](C(=O)Nc4ccnc(C)n4)(CC2)C3)n1 169710871 ICLSGXPHOMUHDE-SFTDATJTSA-N 379.464 2.950 0 1 GFAF COc1ccc([C@H]2Oc3cc4c(c(O)c3C(=O)[C@@H]2O)C=CC(C)(C)O4)c(O)c1 238786476 OQSRDCNFGHUSPF-VQTJNVASSA-N 384.384 2.968 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 255201831 CDMVQQAHEQVSMF-JEYDOBMXSA-N 390.520 2.577 0 1 GFAF CC1=C(c2ccc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)NNC(=O)C1 587154843 SMLFPWSZTMJXCJ-SZNDQCEHSA-N 377.423 2.799 0 1 GFAF N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C1COC1 587256002 BWPWUISWFSXRDI-MRXNPFEDSA-N 392.868 2.663 0 1 GFAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O 587433180 VVBUDIONZSNEBH-KKSFZXQISA-N 376.368 2.608 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(O)ccc12 587594424 KVIIMWHCHJDFFQ-UWJYYQICSA-N 375.336 2.907 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N2CCOCC2)N1 587764337 DLUVWMYZPVDFSW-PIGZYNQJSA-N 385.277 2.587 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587833948 JCXSJBLWAWBLAF-QAGHZCBJSA-N 386.261 2.917 0 1 GFAF COc1ccc(-c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)c(O)c2)cc1OC 587927545 QREBGOKDAUEZRD-UHFFFAOYSA-N 380.360 2.821 0 1 GFAF COC(=O)N1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1 1772615917 DLGWFDYQRWZJBZ-UHFFFAOYSA-N 396.451 2.696 0 1 GFAF Cc1cc(Nc2nc(C(=O)N(C)C3CCNCC3)nc3ccc(Cl)cc23)n[nH]1 1772634447 BRDCCJGEIJIMIF-UHFFFAOYSA-N 399.886 2.882 0 1 GFAF COc1ccc2nc(CO[C@@H]3CN(Cc4cccc(OC)n4)C[C@@H]3F)[nH]c2c1 2356299201 BLGIZKMIYNUWFO-MAUKXSAKSA-N 386.427 2.714 0 1 GFAF COC(=O)[C@]12CCC(C(C)C)=C[C@@H]1[C@]1(C(=O)OC)CC[C@H](O)[C@](C)(O)CC[C@@H]21 2356789075 CVPALXWAMDMLNG-LRNCDZRASA-N 394.508 2.613 0 1 GFAF CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CC1 5841165 WMZXJTVNBGZFCT-UHFFFAOYSA-N 375.444 2.736 0 1 GFAF Nc1sc2c(c1C(=O)c1ccc(I)cc1)CCNC2 29571570 GTNDJYARMHNXMS-UHFFFAOYSA-N 384.242 2.812 0 1 GFAF CC(C)CNC(=O)c1cnc(NCCCN(C)C)nc1NCCc1ccccc1 45303143 DTXKIJABQXEPDZ-UHFFFAOYSA-N 398.555 2.881 0 1 GFAF COc1ccc(OC)c(CCNc2nc(N3CCCN(C)CC3)ncc2C)c1 82202848 RQRNLRGUYUROHO-UHFFFAOYSA-N 385.512 2.599 0 1 GFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 95893984 DLGIRMAQUIZYPA-AABGKKOBSA-N 394.475 2.985 0 1 GFAF CC(C)Oc1nccc2c1C(c1cc(C(=O)NC3COC3)n(C(C)C)c1)=NC2 96175978 LVMDDMNSKSMIMM-UHFFFAOYSA-N 382.464 2.731 0 1 GFAF COc1ccc(Cn2cnc(N)c3nc(C(C)(C)O)nc2-3)cc1OC1CCCC1 101384540 HTZYCNVPJINMRJ-UHFFFAOYSA-N 397.479 2.966 0 1 GFAF Cc1ccc(N2CCN(CCN3C(=O)O[C@@H](c4ccccc4)C3=O)CC2)cc1 103210057 KSRCSTJDFPHVKU-FQEVSTJZSA-N 379.460 2.837 0 1 GFAF Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2o1 148263399 WASUGDAQGOVUEJ-UHFFFAOYSA-N 375.432 2.563 0 1 GFAF Cn1nc(C(F)(F)F)cc1OC[C@H](CO)NCc1cnc2ccccc2c1 169328791 LNGWIRREYVRBNQ-AWEZNQCLSA-N 380.370 2.517 0 1 GFAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccnnc3)c2)c2cncnc21 169708022 OWEBEWQUSVWDMP-UHFFFAOYSA-N 387.403 2.681 0 1 GFAF COc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)C(=O)c2ccco2)cc1 195457051 RCPCFGLABKSTLI-OHHBCXFOSA-N 392.411 2.700 0 1 GFAF C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2)C(c2cccc(Br)c2)=N1 299832240 SSBRGYWKBCIRNI-NSHDSACASA-N 394.294 2.752 0 1 GFAF COCCn1c(=O)oc2cc3ncnc(Nc4ccc(OC)c(OC)c4)c3cc21 473127106 UTCTXRMEMOYYKD-UHFFFAOYSA-N 396.403 2.945 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccccn1)CC2=O 587482728 DNJKEFHZAHANGF-LJQANCHMSA-N 375.446 2.645 0 1 GFAF NS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587609075 UPHIXCYWKDCNJB-XLIONFOSSA-N 397.408 2.743 0 1 GFAF Cc1ccnc2c1CCN[C@@H]2c1ccc([Si](C)(C)c2ccccc2CO)cc1 963072495 SGWPTZSERAVPGJ-HSZRJFAPSA-N 388.587 2.940 0 1 GFAF CS(=O)(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCO3)cc1 1772633530 VUZNUQRRRAEJPQ-KRWDZBQOSA-N 377.443 2.597 0 1 GFAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cncc(F)c4)c(=O)n1c23 1857570700 AQJSVLJXJCBKAH-JTQLQIEISA-N 385.370 2.818 0 1 GFAF Cc1sc2ncnc(SCC(=O)N3CC(=O)N(C4CC4)C3)c2c1Cl 1911580801 HFKZDFLDKZFZCP-UHFFFAOYSA-N 382.898 2.536 0 1 GFAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC=CC(=O)O)[C@H](C)[C@H](O)[C@@H]2C 2356327539 COFIVWDWWDQMEE-NRAMKRBGSA-N 382.497 2.744 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](Cc4occc4[C@@]3(C)O)[C@@]12C 2356411625 USEOLSCIUKXXRY-PVQMBHPPSA-N 392.492 2.529 0 1 GFAF CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NC3CCCC3)cc2C[C@H]1C 4435873 YFUGMDFHRJBNQG-CQSZACIVSA-N 392.521 2.597 0 3 GFAF COc1ccc([C@@]23OC[C@@H](Cc4cc(OC)c(OC)cc42)[C@H]3CO)cc1OC 1862595 CIQMFHJWBNOVQL-UZSYQUHHSA-N 386.444 2.776 0 1 GFAF CC(C)CCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@]23C=C[C@H]1O3 13138879 LJJDMVUTPBDCCC-BMQTXXJKSA-N 388.895 2.784 0 1 GFAF CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccccc1 13151691 FMJOKPRBXJEFND-NTLWEQJWSA-N 376.449 2.630 0 1 GFAF COc1cc2ncnc(N3CC[C@@H](Oc4ncc(Cl)cn4)C3)c2cc1OC 14956463 NDASMCYFWCEUSG-GFCCVEGCSA-N 387.827 2.748 0 1 GFAF COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@@H]3COC(=O)[C@H]32)cc(OC)c1OC 14959652 RINWQCSDWSZGDJ-QQGDVQBRSA-N 386.400 2.601 0 1 GFAF biogenic CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25427582 KVYVFBJIRIXGHX-JKSUJKDBSA-N 375.469 2.521 0 1 GFAF biogenic OC[C@H]1O[C@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)C[C@@H]1O 26508712 NBDWJVSTDQLLBS-LZWOXQAQSA-N 380.876 2.860 0 1 GFAF N[C@@H](CO)C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 28827006 DZODXKMLRLHQBB-ROUUACIJSA-N 390.376 2.606 0 1 GFAF COc1c(N2C[C@@H](C)O[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 29123141 LAKKYQZZALPWFA-GHMZBOCLSA-N 390.411 2.796 0 1 GFAF CN1CCCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)CC1 40431161 RIVKJCNOYQAWOL-UHFFFAOYSA-N 388.475 2.796 0 1 GFAF CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2Cl)S1(=O)=O 49110505 HZFCYBLDOJMSFO-CYBMUJFWSA-N 381.885 2.513 0 1 GFAF CSc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 64755223 YSDZWUSFFLGBDF-UHFFFAOYSA-N 395.893 2.942 0 1 GFAF Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Br)cc3c2n1 73163106 YHLXIWNRIQDEEU-IUCAKERBSA-N 376.283 2.740 0 1 GFAF COC(=O)c1c(CN2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1 95560537 DODXRPDCYJJXKJ-UHFFFAOYSA-N 396.418 2.749 0 1 GFAF CNc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247091 XMVZDHUKYXZOAV-WGXQHIKUSA-N 377.510 2.706 0 1 GFAF CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(F)cc4)C3)n2)c1 118577520 DKQVAFUGYSTYEG-UHFFFAOYSA-N 393.422 2.987 0 1 GFAF COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1O 167753626 UMFXGZZFBGOLHY-QGZVFWFLSA-N 383.356 2.506 0 1 GFAF C[C@@H]1C(=O)NN=C2COc3cc(-c4ccccc4F)c([C@H]4CCN(C)C4)cc3N21 218882603 RVEGZHVWGSUYNT-KGLIPLIRSA-N 394.450 2.942 0 1 GFAF CC(=O)O[C@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 255262810 RONVFHDKERFTPP-PNOZDTEYSA-N 394.552 2.899 0 1 GFAF CO[C@@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@H]3C5 261091939 DRJFACWZQYBMLO-MBVBDNJGSA-N 383.488 2.647 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 587165181 LYQTUEMDGANLJT-UHFFFAOYSA-N 399.451 2.864 0 1 GFAF Nc1ccnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 587170717 GODGLHAAOOQPCZ-INIZCTEOSA-N 397.435 2.747 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)cnc2[nH]1 587231442 ODVROHOCCOEARA-RYUDHWBXSA-N 381.274 2.757 0 1 GFAF COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587393431 IIHOEIJMNWFSIE-MBSDFSHPSA-N 394.471 2.976 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1cccc(N4CCCS4(=O)=O)c1)[C@@H](C2)C3=O 587452255 NRVKLJZUPCZYJI-LAUBAEHRSA-N 399.468 2.898 0 1 GFAF COC(=O)CCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587755900 BKPNBLUYCBBYOQ-QGHHPUGFSA-N 396.260 2.971 0 1 GFAF COc1cccc([C@@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587808038 NBQHRYBITZPVBA-XTZNXHDOSA-N 396.256 2.685 0 1 GFAF Cc1ccnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12 653737757 UZYVKXQRCHHNOU-UHFFFAOYSA-N 381.823 2.970 0 1 GFAF COc1ccc2c(c1OC)[C@H](c1ccc(C(N)=O)s1)NCC21CCOCC1 963189357 OUONYAGLHVMBEY-KRWDZBQOSA-N 388.489 2.605 0 1 GFAF CNC[C@@H](NC(=O)c1ccc(-c2ccc(C)c(F)c2)[nH]1)c1ncc(CO)s1 1772611661 MQYRERWEJKIICN-QGZVFWFLSA-N 388.468 2.769 0 1 GFAF CS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1 1857549935 UNPDJGOLDVPNAS-UHFFFAOYSA-N 394.456 2.927 0 1 GFAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 2356315599 NCMCKKKMZKTIEL-YSFYHYPLSA-N 399.535 2.592 0 1 GFAF CCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21 4099299 LJLKAWRXUYJQTB-UHFFFAOYSA-N 385.508 2.638 0 3 GFAF COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 36384272 CCRHWHXSYZRQMJ-SUMWQHHRSA-N 392.402 2.580 0 3 GFAF CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC(C)(C)C)c21 4597973 BOIPLRNCHFEAFF-UHFFFAOYSA-N 389.315 2.825 0 1 GFAF COc1ccc(-c2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 103193656 QJDYPTRYVIRCQZ-CQSZACIVSA-N 378.388 2.737 0 1 GFAF CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4cccn4C)nc23)C1=O 28825881 ITUXNMFQBYFWRD-UHFFFAOYSA-N 387.443 2.879 0 1 GFAF CC(=O)O[C@@H]1C[C@H]2C(=O)O[C@H](c3ccoc3)C[C@]2(C)[C@H]2C[C@@H]3C[C@H](C(=O)O3)[C@@H]21 104366290 DYSOIAQEKRDXRB-USRYLWHZSA-N 388.416 2.793 0 1 GFAF in-man Cn1ccc2c(S(=O)(=O)N3CCc4[nH]nc(-c5ccco5)c4C3)cccc21 23479117 DGKZKSLQZVTJLX-UHFFFAOYSA-N 382.445 2.908 0 1 GFAF O=c1ccc(-c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)s2)n[nH]1 20574708 NCVKSJLMJVPUFH-UHFFFAOYSA-N 395.893 2.673 0 1 GFAF CC(C=CC=C(C)[C@H](O)[C@H](C)[C@H](O)C[C@@H](O)[C@H](C)C(=O)O)=Cc1coc(C)n1 2356516540 AVEFIVAPRNVNCS-DGWIIEBVSA-N 393.480 2.718 0 1 GFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccc(Cl)cc2)n1 2356621338 XHQKOTDZMACBQD-NMLBUPMWSA-N 389.927 2.944 0 1 GFAF CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@@]32[C@H](C)C(=O)O[C@@H]12 2356771219 SIELXTGPFIGRLA-XMYCDRHFSA-N 387.476 2.607 0 1 GFAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)[C@H]([C@@H](C)O)NC4=O)c2nc1NC1CC1 214276792 JEIAIOKPHBZXMK-ABKXIKBNSA-N 381.411 2.812 0 1 GFAF CN(C)C(=O)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72185340 AKRNGDZKEYHLKA-SFHVURJKSA-N 375.423 2.580 0 1 GFAF COc1ccc(-c2ccn(C[C@H](N)C(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1 71295713 SVBRRSGCJJMNSP-IBGZPJMESA-N 393.443 2.650 0 1 GFAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(F)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 45497948 GHUVMLRSPWIQQO-OFIGHDNNSA-N 382.472 2.564 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 82142120 JIXMLQSRBQPSBC-BBRMVZONSA-N 385.468 2.593 0 1 GFAF Cc1ncsc1CCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](C)CN2 82224471 ONAQGCTYJBVEBY-ZDUSSCGKSA-N 397.504 2.616 0 1 GFAF CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H](C)C(=O)O)=C\c1coc(C)n1 238732362 AVEFIVAPRNVNCS-DGVBEFPUSA-N 393.480 2.718 0 1 GFAF N[C@H](CCc1cccc(O)c1)[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 299826416 FYGJSIIQNXLTQW-WMZOPIPTSA-N 377.377 2.824 0 1 GFAF N[C@H](CCc1cccc(O)c1)[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 299826413 FYGJSIIQNXLTQW-AEFFLSMTSA-N 377.377 2.824 0 1 GFAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCC(=O)O 587401939 TYCPDNJGQGHLHX-HNNXBMFYSA-N 387.388 2.764 0 1 GFAF COC(=O)[C@@H]1CC(OC)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600119 LKEBGXHYJHVOPN-AVBTWRTFSA-N 382.368 2.816 0 1 GFAF COC(=O)c1ccnc2[nH]c(CCSCC(=O)Nc3ccc(C)cc3)nc12 586971505 YIXLAWFKWAKGBR-UHFFFAOYSA-N 384.461 2.967 0 1 GFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 586941825 XAAGGECPNFSQKB-SREVYHEPSA-N 383.433 2.544 0 1 GFAF COC(=O)Cc1c(C(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990275 BYVLLJWUYNGNJL-UHFFFAOYSA-N 377.352 2.654 0 1 GFAF C[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962705970 GRHPDBAEPOYWPL-SJLPKXTDSA-N 397.418 2.999 0 1 GFAF CCOC(=O)[C@@]1(c2ncccc2C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962766750 PAUXFBSRGWVDBD-HNAYVOBHSA-N 392.377 2.842 0 1 GFAF COc1ccccc1[C@]1(CCCC(=O)O)N[C@H](C(=O)O)Cc2cccc(F)c21 962920959 NFQYWOSNWXCULX-KKSFZXQISA-N 387.407 2.932 0 1 GFAF O[C@H]1CCCCCCCN=C2N=c3c(c(-c4ccncc4)cn3CCCC1)=CN2 1772626091 ASMYWCGHYWQPGO-IBGZPJMESA-N 393.535 2.752 0 1 GFAF O=c1/c(=C\c2ccccc2)sc2n1[C@H](c1ccccc1)[C@]1(O)CCCC[C@@H]1N=2 17255559 LARPIEDAGFXNSD-AYJBVWFBSA-N 390.508 2.635 0 1 GFAF COCCOc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311394 ACMDXKZEHRFMAQ-BRACWNLKSA-N 392.521 2.715 0 1 GFAF COc1ccc2c(OCc3nnc4ccc(-c5cncnc5)nn34)ccnc2c1 166065146 VBIDJMKTZWCXQH-UHFFFAOYSA-N 385.387 2.717 0 1 GFAF CN([C@H]1c2cc(OCc3ccccc3)ccc2OC(C)(C)[C@@H]1O)S(C)(=O)=O 3941172 WHSNUPSZOQRQAB-RBUKOAKNSA-N 391.489 2.730 0 1 GFAF O=C1[C@H]2CCCCN2C(=O)N1CN1CCN(c2cccc3ccccc23)CC1 13489208 ZQFGUYSBGPXRKA-HXUWFJFHSA-N 378.476 2.736 0 1 GFAF CC(C)OCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 16040858 OCQUTXHKSGAQNP-GOSISDBHSA-N 383.492 2.814 0 1 GFAF biogenic CCOC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529817 UREIKWXMKSDHRU-ROYATCLZSA-N 384.457 2.520 0 1 GFAF C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1 27618571 MZELQCHQDAYLLD-RDJZCZTQSA-N 399.516 2.844 0 1 GFAF COc1cc2ncnc(N3CCN(CCOc4ccccc4)CC3)c2cc1OC 28824581 AKOPGRIAVAATDN-UHFFFAOYSA-N 394.475 2.848 0 1 GFAF CN1CCC=C([C@@H]2CN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1 40954965 UHJVTQSGLLNIIE-IBGZPJMESA-N 378.538 2.636 0 1 GFAF O=S(=O)(Nc1nnc(C2CCC2)[nH]1)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 71317443 CWSNZLKGGODPSS-NJZAAPMLSA-N 388.497 2.869 0 1 GFAF COc1cc2nc(N3CCCN(C)CC3)nc(Nc3ccncc3)c2cc1OC 72122075 YFDFCUNGPQJHKZ-UHFFFAOYSA-N 394.479 2.928 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(F)c1 95794045 YXWKKMWYJNDYCQ-RTWAWAEBSA-N 397.494 2.960 0 1 GFAF O=c1cc(-c2ccccc2)oc2cc(O)c(OCCCN3CCOCC3)c(O)c12 103271070 RTJHYQFXNDWXDQ-UHFFFAOYSA-N 397.427 2.972 0 1 GFAF O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226095099 IBVILTLGAFCWSS-MPGHIAIKSA-N 393.422 2.874 0 1 GFAF CCOc1ccccc1[C@@](N)(c1nc2c(O)nc(S)nc2[nH]1)C(F)(F)F 587094217 NCHPGEYWIPXGBB-CQSZACIVSA-N 385.371 2.511 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN[C@H](C(=O)O)[C@H]3C2)N1 587790559 DHZTVXVNXUMHGH-VWCQRQMNSA-N 397.288 2.790 0 1 GFAF Cc1ccc([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587828579 UBKQPNJJGASKOH-ZMZPIMSZSA-N 380.257 2.985 0 1 GFAF CCN1C=C(C(=O)O)[C@]2(NCCc3c(C(=O)O)cccc32)c2ccc(OC)cc21 963121973 MKZNFWYRQKTLGP-JOCHJYFZSA-N 394.427 2.591 0 1 GFAF COc1ccc([C@]2(CCC(=O)O)NCCc3ccc(O)cc32)c(OC)c1OC 963340793 IHTPFZJYGVZTJL-NRFANRHFSA-N 387.432 2.672 0 1 GFAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NCc2ccc(Cl)cc2)C[C@H]1O 2356324199 HVCGTDMXMKDEAB-VNTMZGSJSA-N 387.911 2.698 0 1 GFAF CC(=O)O[C@H](C[C@]1(C)[C@H](C)CC=C2[C@@H]1CCCC2(C)C)[C@]1(O)COC(=O)[C@H]1O 2356570641 QCPWZRPDZHMSDZ-FLUDUKHASA-N 394.508 2.756 0 1 GFAF O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@@H](O)[C@H](O)C23CCC(CC2)N13 6580678 HZRLIXRIKBJBFN-WCYBKQEHSA-N 392.499 2.952 0 1 GFAF COC(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14947754 AAQUTCQUQREQSP-FHWLQOOXSA-N 388.414 2.647 0 1 GFAF O=S(=O)(c1ccccc1)N1CCN(c2nccc(-c3cccs3)n2)CC1 23325670 LKDCCQLOWREASQ-UHFFFAOYSA-N 386.502 2.716 0 1 GFAF N=C(N)c1cccc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1 26646930 XZXIJUXYZNJQEP-UHFFFAOYSA-N 377.492 2.877 0 1 GFAF CN1c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)nc2C(N)=NS1(=O)=O 26973810 MIBZJNXAJDIMOO-UHFFFAOYSA-N 399.863 2.864 0 1 GFAF CCOC(=O)CN1C[C@H](C)N(C(=O)c2cc(Cl)c(N)c(Cl)c2)[C@H](C)C1 36286431 KVZJRHSMJYVALC-PHIMTYICSA-N 388.295 2.674 0 1 GFAF COc1ccccc1CNC(=O)Cn1cccc(NCc2ccccc2)c1=O 43013181 QTOQOYFUKXTGRP-UHFFFAOYSA-N 377.444 2.785 0 1 GFAF COc1ccc(C2=NN(C(=O)[C@@H](C)O[N+](=O)[O-])[C@H](c3ccco3)C2)cc1OC 43025791 AFUCNBDQRGAISC-RISCZKNCSA-N 389.364 2.571 0 1 GFAF Cc1cc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)ccc1Cl 49114324 ZMQPHPIWFPHKFO-AZUAARDMSA-N 391.943 2.845 0 1 GFAF CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)CC1 82164484 ANDXODFGICRFHD-UHFFFAOYSA-N 381.411 2.915 0 1 GFAF CCCCc1nc2nc(N3CCC[C@H](C(=O)N(CC)CC)C3)ccc2[nH]c1=O 82231603 OTRUZDKXEIXPQA-HNNXBMFYSA-N 385.512 2.746 0 1 GFAF CNCCN[C@H]1CC[C@@]23[C@@H](O)C[C@]4(C)CCC[C@@](O)(C4)[C@@H]2C[C@@]32CCC[C@@H]12 85547515 GXLSAOIQBAQVQI-PCGAYQKKSA-N 376.585 2.827 0 1 GFAF biogenic,in-vitro C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)c3ccccc3)N(C(C)=O)[C@H]2CO)cc1 95895066 GORVFQJRTXHRGE-SYUDANDPSA-N 378.472 2.825 0 1 GFAF C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CC2)C1=O 96273472 YMRHMDXKPXXJSI-IVZQSRNASA-N 378.428 2.987 0 1 GFAF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(F)c1)C1=C(O)c3ccccc3C1=N2 104079586 SEYIUPCYFNKRNQ-HNNXBMFYSA-N 389.386 2.772 0 1 GFAF CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1 114867964 MKTRMPIBOZYXTR-UHFFFAOYSA-N 378.476 2.894 0 1 GFAF C#Cc1cccc(N2C(=O)c3ccccc3[C@@]2(O)c2ccc3c(c2)NC(=O)CO3)c1 116251929 VSPPJOMXMRUQBJ-DEOSSOPVSA-N 396.402 2.853 0 1 GFAF CC[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)cc1 166300303 NIGGFKDMNZQTCM-SFHVURJKSA-N 378.432 2.607 0 1 GFAF CCNC(=O)c1noc2c1CN(C(=O)Nc1cc(C(C)C)c(O)cc1O)CC2 169310173 UPMLVVTXEBSJKH-UHFFFAOYSA-N 388.424 2.549 0 1 GFAF CC[C@@H](O)[C@@]1(C)O[C@]2(O[C@@](C)([C@@H]3OC(=O)C(C)=C[C@@H]3C)C[C@H]2C)[C@H](C)[C@H]1O 238733054 PUWSWDPZBXOVMY-BHHRPFDZSA-N 382.497 2.562 0 1 GFAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@H]5[C@]6(CCC[C@@]5(C)CO)CO[C@H](C[C@H]1[C@H]2OC(C)(C)O4)[C@H]63 504623689 SPKBKHBTOCOHGF-GDAHULBQSA-N 390.520 2.935 0 1 GFAF biogenic Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(O)cc2[nH]1 586945060 CMGAPAQYQJMFLU-AWEZNQCLSA-N 387.461 2.701 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587017170 SKGFSCRKFJRRJE-GFCCVEGCSA-N 378.479 2.788 0 1 GFAF CN(Cc1nc2cc(Br)ncc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170190 OFQOQXBFABVABC-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF CCOC(=O)Cc1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1 587224530 JTDLAHUERJWJJO-AWEZNQCLSA-N 381.432 2.752 0 1 GFAF CCOC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587582560 PUVNJVUKDCGNAD-GHTZIAJQSA-N 394.383 2.855 0 1 GFAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C21N[C@H](C(=O)O)Cc2cc(F)ccc21 962891358 DNYNDXDPNFHZMN-YPEOCWHMSA-N 376.428 2.507 0 1 GFAF COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc32)CC1 1772603744 NYPHNXBBMJRKSX-UHFFFAOYSA-N 381.476 2.633 0 1 GFAF COCCn1c(=O)n(CC(F)(F)c2ccccc2)c(=O)c2c(C)csc21 1857573884 GYNMTGACYNLGAW-UHFFFAOYSA-N 380.416 2.972 0 1 GFAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4152349 BHCQIDIIDHSOBC-DCPHZVHLSA-N 385.464 2.836 0 1 GFAF Cc1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 6818033 YHSWHLGMWMGLDR-NSHDSACASA-N 380.495 2.581 0 1 GFAF CO[C@@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@@H]3C5 101483223 DRJFACWZQYBMLO-VUIFFZKHSA-N 383.488 2.647 0 1 GFAF CO[C@H]1Cc2ccccc2N(C(=O)N2CCN(CCO)CC2)c2ccccc21 20790543 VIXOPDYUZNXBCD-NRFANRHFSA-N 381.476 2.798 0 3 GFAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C 28526582 OXDCARWEOLFUPV-SNVBAGLBSA-N 392.843 2.775 0 1 GFAF Cn1cc(-c2cnn3c(N)c(-c4ccsc4)c([C@@H]4CCCNC4)nc23)cn1 60327540 MIMVFNINRFTKFF-GFCCVEGCSA-N 379.493 2.908 0 1 GFAF COc1cc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)ccc1F 1911585914 AJIDOXRNLDGLOO-MRXNPFEDSA-N 397.454 2.876 0 1 GFAF CN(CCN(C)C(=O)c1ccccc1)C(=O)C(=O)c1c[nH]c2cccc(F)c12 45256724 NMZYBDTWKXUDFL-UHFFFAOYSA-N 381.407 2.720 0 1 GFAF COc1ccc2c3c1O[C@H]1C(=O)[C@H](C(C)=O)C[C@@H]4[C@H](C2)N(CC2CC2)CC[C@]341 195059755 OHTVSMGBAJOEFI-BPTKSNKRSA-N 381.472 2.529 0 1 GFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2cccc(F)c2)[nH]1 95557218 POTOTFVDJBVDSY-INIZCTEOSA-N 383.379 2.559 0 1 GFAF C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)n1C 146995383 UBSOPOINCBHRFG-AWEZNQCLSA-N 384.505 2.506 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)CC)N(Cc3ccccn3)[C@H]2CO)cc1 95571433 JQIVQIXEWIJDCO-AXHYUHGSSA-N 379.504 2.970 0 1 GFAF O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)C3CCCC3)C[C@H]12 25209854 LYUFGEYQMKKHLA-GOSISDBHSA-N 393.443 2.742 0 1 GFAF biogenic C#CCN(C)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(N)nc3[C@H](C)[C@H]2[C@@H]1O 36356170 GNNHPTIXVLIUFD-IKLRZIGCSA-N 375.538 2.506 0 1 GFAF biogenic COc1ccc(OC)c(C(F)(F)c2ccc3nnc(-c4cnn(C)c4)n3n2)c1 299832017 PQCIJYJIWKAJIJ-UHFFFAOYSA-N 386.362 2.682 0 1 GFAF COC(=O)C(=O)C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597317 YHQQSTRWLCMRMI-DYESRHJHSA-N 384.384 2.881 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(C(=O)O)cn2)N1 587767455 AUTFPQUYKDYRPO-BCTVWOGZSA-N 380.217 2.874 0 1 GFAF CN1CCN(c2ccc3nc([C@H](N)Cc4ccc(O)c(Cl)c4)[nH]c3c2)CC1 587052331 OMMUXKXQGSWSLN-MRXNPFEDSA-N 385.899 2.916 0 1 GFAF CCOc1ccccc1[C@@](N)(c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(F)(F)F 587093383 TYCCDSCTBOYDPR-CQSZACIVSA-N 386.765 2.534 0 1 GFAF COc1cc2c3c(c1)O[C@@](CSc1n[nH]c(=N)s1)(C1CC1)[C@@H](C2)C3=O 587453521 QXKGNAUFARGQAU-GTNSWQLSSA-N 375.475 2.648 0 1 GFAF O=C1CC2(CCC3(CC2)c2ccccc2C[C@]2(C4CCC4)C(=O)NC(=O)N32)CN1 962671469 ROHCLRKAAKEFHG-VNXZQDSDSA-N 393.487 2.609 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(COC3COC3)c12 1772582706 ZVXSJQHTPTUEBJ-GFCCVEGCSA-N 397.435 2.765 0 1 GFAF O=C(NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1)c1ccc2c(c1)OCCO2 12130892 UUYRTTYQKOVLDS-INIZCTEOSA-N 389.411 2.648 0 1 GFAF CCNC(=O)N1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 205474561 ABHOHBUEUBKBOY-ZOUOIUENSA-N 399.535 2.885 0 1 GFAF COC(=O)c1ccc(-c2cn(CC(=O)Nc3nc4ccccc4s3)nn2)cc1 1857605282 IFQWYNRXROBDRR-UHFFFAOYSA-N 393.428 2.980 0 1 GFAF COc1ccccc1CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 4237977 MIMVFODCGPXUGZ-UHFFFAOYSA-N 386.517 2.982 0 1 GFAF CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 26273566 UWHDYIJAXRNLQS-XQLPTFJDSA-N 398.529 2.511 0 1 GFAF NC(=O)c1ccc(-c2[nH]nc3c2Cc2cc(CN4CCC(O)CC4)ccc2-3)cc1 28714079 GKEQRQQVZCWXMU-UHFFFAOYSA-N 388.471 2.704 0 1 GFAF O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)C2CC2)c1F 43207318 QESBBXWJNQCSSO-UHFFFAOYSA-N 392.387 2.998 0 1 GFAF O=C(O)Cn1cc([C@@H]2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc21 49036793 LBQZVZRQCGSEKP-QGZVFWFLSA-N 376.821 2.761 0 1 GFAF COc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2cccc(C)c2)cc(OC)c1OC 71332588 SRWITBUWBLSNJO-UHFFFAOYSA-N 383.404 2.957 0 1 GFAF O=C(CNC(=O)N1CCN(c2ccccc2)CC1)N[C@H]1CCCc2ccccc21 149049682 DVJVPFDKQYEMLG-NRFANRHFSA-N 392.503 2.712 0 1 GFAF O=C(NCCN1CCCC1=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 168055080 KJWUCMWEOOPUCH-UHFFFAOYSA-N 392.459 2.587 0 1 GFAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCc1nnn[nH]1 169321438 UMJCUBTVFTVYKV-ARSRFYASSA-N 376.501 2.532 0 1 GFAF O=C1c2nnc(-c3cnccn3)n2CCN1Cc1c(Cl)cccc1Cl 219145781 PTHDSEUXLRBZLT-UHFFFAOYSA-N 375.219 2.698 0 1 GFAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1cncnc1 261094285 FCOOMGHMXXOZQJ-KRWDZBQOSA-N 392.415 2.801 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 586946005 FNEIUETWPJJDIE-GFCCVEGCSA-N 392.868 2.736 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1C=C(C(=O)O)NN1c1ccccc1)[C@@H](C2)C3=O 587435706 IJLDVJDYHORFOW-LZFQIVBZSA-N 392.411 2.563 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCNC(=O)C3)cc1)CC2=O 587474758 JJYWBHHZMIPIST-FQEVSTJZSA-N 380.444 2.987 0 1 GFAF O=c1oc(-c2ccccc2)nn1CCCCN1CCN(c2ccccn2)CC1 1857624641 DBULPYJAZHQUEM-UHFFFAOYSA-N 379.464 2.501 0 1 GFAF NCc1ccc(-c2ccc(N3C[C@H](CN4CCOC4=O)OC3=O)cc2F)cc1 1857762195 GEDKPXLJSRWCOU-INIZCTEOSA-N 385.395 2.729 0 1 GFAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3cccc(Cl)c3)C[C@@H](O)[C@H]2CO)n1 2356288359 BNYJALUBFSZOSP-VNTMZGSJSA-N 389.927 2.944 0 1 GFAF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2cccc(OC)c2)CC[C@]1(C)O 2356289683 XTCWWAGIZYHYJO-ZRBLBEILSA-N 398.503 2.524 0 1 GFAF C[C@]1(CO)CCC[C@]2(C)C3=C(C[C@H](OC(=O)c4ccc(O)cc4)[C@H]12)C(=O)OC3 2356717229 KPUHAJPJYZHSQY-XHIHJMKYSA-N 386.444 2.980 0 1 GFAF O=C(NC[C@@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1)c1ccccc1 2356301733 CXWJLXHLISANMQ-QGZVFWFLSA-N 391.427 2.650 0 1 GFAF CC1(C)Oc2ccc(-c3nc4cc[nH]cc-4n3)cc2[C@@H](N2CCCC2=O)[C@@H]1O 100931744 MRDIKWSGQONRCK-MOPGFXCFSA-N 378.432 2.772 0 1 GFAF COc1cc(COC[C@H](c2ccccc2)N2CCNCC2)cc(OC)c1OC 22926799 XZQROZSCHKOGLE-LJQANCHMSA-N 386.492 2.876 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(F)n2)CC1 28525230 VQBXPTGVNAAIHI-UHFFFAOYSA-N 386.471 2.562 0 1 GFAF COc1cc2c(c(O)c1CC=C(C)C[C@@H](C=C(C)C(=O)O)OC)COC2=O 2356600279 GOGQLLWTHMPWQZ-ZDUSSCGKSA-N 376.405 2.996 0 1 GFAF COc1cc2[nH]c3c(c(=O)c2cc1OC)CC[C@@H](CNC(=O)c1ccco1)C3 27548915 OOWAZNPOGJVTHK-GFCCVEGCSA-N 382.416 2.673 0 1 GFAF CO[C@@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)C[C@@H](O)C(C)(C)O2 2356846469 OOGJVXKOBYYOLN-DENIHFKCSA-N 396.439 2.992 0 1 GFAF CN1CCN(C(=O)C[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)CC1 79275034 XPWPCFUTJIBSJV-QGZVFWFLSA-N 384.867 2.601 0 1 GFAF C[C@@H]1CC(N2CCNC2=O)C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1 36286466 NRUOIYWARKEXLI-NXEZZACHSA-N 385.295 2.982 0 1 GFAF NC1=N[C@]2(CO1)c1cc(-c3cncc(F)c3)ccc1OC1(CCC1)C21COC1 220714532 VKXZBNSASBAXPO-OAQYLSRUSA-N 381.407 2.760 0 1 GFAF O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 95667311 SRBZLHJAULXRLX-FCHUYYIVSA-N 391.515 2.927 0 1 GFAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95895560 HSESRDNFSLKVBL-ZRBLBEILSA-N 392.499 2.945 0 1 GFAF Cc1nc(O)nc(S)c1C(=O)N[C@@H]1[C@H]2CCCC[C@@H]2N[C@H]2CCCC[C@H]21 254136639 ABTZKNNKLUKWHH-HCZIRCDUSA-N 376.526 2.599 0 1 GFAF COc1cc(C(=O)n2nc(Nc3ccc(C)cc3)nc2N)cc(OC)c1OC 299827428 JEUKFJYLKNNCEE-UHFFFAOYSA-N 383.408 2.627 0 1 GFAF CCOC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587759085 KFAFMNDPVNDIAT-BTDLBPIBSA-N 396.260 2.971 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(CO)cc2[nH]1 586936395 MEXNXIAHRLQDGE-INIZCTEOSA-N 391.518 2.828 0 1 GFAF CC(=O)n1[nH]c(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1=O 587795595 RDUDWEOTPBYADU-WNWIJWBNSA-N 396.260 2.844 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 587232062 SFHZCDYLMAXKNL-ZJUUUORDSA-N 399.264 2.896 0 1 GFAF O=C1COc2ccc([C@@]3(C(=O)O)c4ccc(F)cc4C[C@@H]4CCCN43)cc2N1 963113436 TYBYBJKRWPFESR-BTYIYWSLSA-N 382.391 2.505 0 1 GFAF COc1cc(N)c([C@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c1 963219243 DGWNMCKAXHAGPN-XMSQKQJNSA-N 393.443 2.697 0 1 GFAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cc4c(cn3)OCCO4)N12 962667486 NBOJZHBKTWRGNI-DENIHFKCSA-N 391.427 2.589 0 1 GFAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc[n+]([O-])c2)c1F 1772635349 JMQDNZNEOUDEJB-XHDPSFHLSA-N 393.846 2.648 0 1 GFAF COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN(C)C 1772642911 PBIKHXHTRNBUPB-UHFFFAOYSA-N 391.541 2.517 0 1 GFAF CC(C)C[C@H]1C[C@@H](CO)[C@]2(C(=O)Nc3ccccc32)N1C(=O)c1ccccn1 1772641844 CALYFELHRQMSQT-WCJKSRRJSA-N 379.460 2.798 0 1 GFAF Cc1cccc(S(=O)(=O)NCc2ccc(CNC(=O)c3cccnc3)cc2)c1 1857542104 MAICRGYVNAGNCV-UHFFFAOYSA-N 395.484 2.799 0 1 GFAF CN1CCC(SC(=S)NCCCCNC(=O)OCc2ccccn2)CC1 1857571498 ITPCFUYHUZBDAR-UHFFFAOYSA-N 396.582 2.790 0 1 GFAF Cn1cc(-c2ccc(Cn3ccc(C(=O)N[C@H]4CCCC[C@@H]4O)c3)cc2)cn1 1857755948 VCAWEMAGMNHAMK-SFTDATJTSA-N 378.476 2.970 0 1 GFAF COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC=O)CC2 1619775 SAZPMYMWVSJZGB-AWEZNQCLSA-N 387.457 2.892 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC1=C2[C@](C)(CO1)[C@H](O)CC[C@@]23C 2356325890 SENHZXFMEPETDI-JMBMFPEFSA-N 376.493 2.942 0 1 GFAF CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc(F)cc1 4035993 VKAGWPYDVFXYDY-SFHVURJKSA-N 375.425 2.895 0 1 GFAF CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c1 4206710 KRKYMDCCPLGTQZ-IEBWSBKVSA-N 388.851 2.939 0 1 GFAF COc1ccc(C(=O)N2C[C@@H](F)[C@H](OCc3nc4ccccc4n3C)C2)cc1 2356422892 XBDNJAOAUXOSHD-VQIMIIECSA-N 383.423 2.961 0 1 GFAF O=C(N[C@H]1Cc2ccccc2N(CCO)C1=O)c1cc2cc(Cl)sc2[nH]1 28818300 XJUVOPKVNMAOHD-ZDUSSCGKSA-N 389.864 2.563 0 1 GFAF CN1C(=O)[C@@H]2C[C@@H]3[C@@H]4Nc5ccc(Cl)cc5C(C)(C)[C@@H]4CN3[C@H]2N(C)C1=O 66112035 LEEFVVZQTDQNSU-MNGYRCLDSA-N 388.899 2.582 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3[C@@](C)(O)[C@@H]12 2356468216 UQVRSNOOFJMHDB-LEONRYTJSA-N 382.460 2.540 0 1 GFAF CC[C@H]1[C@@H]2[C@@H]3CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N3CCC[C@H]2O[C@]12C=C(C)C(=O)O2 34849696 UINUUSQOLRQGNF-KLDYRVGWSA-N 389.492 2.805 0 1 GFAF biogenic,in-vitro O=C1NCCN(Cc2cccc(Oc3ccccc3)c2)[C@H]1CC(=O)N1CCCC1 39394362 OKHIEJBMPYOWNX-NRFANRHFSA-N 393.487 2.792 0 1 GFAF O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)C1CC1 621485633 CHPYLYDMZHWTSB-UHFFFAOYSA-N 391.431 2.534 0 1 GFAF CCN1C(=O)c2cccc3c(S(=O)(=O)NCCN4CCCCC4)ccc1c23 653738877 DITOBQMMBBICCI-UHFFFAOYSA-N 387.505 2.584 0 1 GFAF C/C(=C\c1nc(Cn2cnc3ncn(C)c3c2=O)no1)c1ccc(Cl)cc1 653727802 GMKXACFKVYHBLC-YRNVUSSQSA-N 382.811 2.775 0 1 GFAF CN1CCN(c2ccc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c3c2)CC1 587118462 MYTWEONRKSPSNA-UHFFFAOYSA-N 378.402 2.773 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 586951914 BEVUAPDEZCFKEV-UHFFFAOYSA-N 379.482 2.643 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(=N)[nH]cc32)N1 587748990 ZHUQVZFOQKRDOV-HUTHGQBESA-N 377.261 2.905 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(=O)NC4CC4)c1)[C@@H](C2)C3=O 587433472 QTXNTOBPQBBUPN-JTSKRJEESA-N 379.412 2.841 0 1 GFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587193494 BQHDJKAFPKJQFB-HIFRSBDPSA-N 376.461 2.804 0 1 GFAF CCOC(=O)C[C@@]1(C(=O)OCC)c2ccsc2CCN1Cc1cccnc1 962997098 QNEBUGNFUAZYLF-FQEVSTJZSA-N 388.489 2.913 0 1 GFAF O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)[C@@H]1C(=O)c1ccc(F)cc1 169688740 BVVSGRPOAWXFIQ-MOPGFXCFSA-N 389.386 2.767 0 1 GFAF COC(=O)c1c[nH]c2ccc(CN3CCN(c4ccccc4)CC3)cc2c1=O 1857743859 GARBKFXHNADYJQ-UHFFFAOYSA-N 377.444 2.637 0 1 GFAF C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1 4956056 XPMBAMATSNRVFM-YJBOKZPZSA-N 395.503 2.803 0 3 GFAF Cc1ccccc1NC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21 6820412 AXAOXOJQMBYFNP-UHFFFAOYSA-N 386.473 2.923 0 1 GFAF COc1ccccc1CNC(=O)CN1C(=O)CCn2nc(-c3ccccc3)cc21 8598859 XZMVRIFUGWTKEX-UHFFFAOYSA-N 390.443 2.612 0 1 GFAF S=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)Nc1ccccc1 2356300942 XIRPLXKNZDTNSI-ZHALLVOQSA-N 390.622 2.732 0 1 GFAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356315465 BBSJMECOWBMUCF-FXMSQHAFSA-N 380.525 2.669 0 1 GFAF Nc1ncnc2c(CN3C[C@H](O)[C@H](CSc4ccc(Cl)cc4)C3)c[nH]c12 62260385 MZZBHZOHYGEGEE-WFASDCNBSA-N 389.912 2.779 0 1 GFAF COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(F)cc1 27564157 OOWCDEJRFACQDR-INIZCTEOSA-N 388.420 2.658 0 1 GFAF Cc1c(N2CC[C@@H]3CCNC[C@@H]32)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 27427832 ARQVIHXPVXCUFF-GUYCJALGSA-N 385.439 2.511 0 1 GFAF COc1ccc(CN2CC(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2099563 AXWDAVREDYJXLP-HSZRJFAPSA-N 389.455 2.819 0 1 GFAF biogenic CCOC(=O)C(=O)Nc1nc(-c2ccc(NC(=O)C(F)(F)F)cc2)cs1 40791344 JNBFMPSYYDEPFL-UHFFFAOYSA-N 387.339 2.813 0 1 GFAF O=C(CN1CCCN(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1 49114683 PVUIHTLBOLQALR-UHFFFAOYSA-N 381.455 2.848 0 1 GFAF CCC(=O)N1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1 225542318 NRHAFAJTRBEYTO-UHFFFAOYSA-N 394.479 2.866 0 1 GFAF COC(=O)NC[C@H]1CN(c2ccc(-n3cc4cccnc4c3)c(F)c2)C(=O)O1 40567178 VWLPTDLDLDFGTK-AWEZNQCLSA-N 384.367 2.846 0 1 GFAF CN(CC(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O 84759331 UQSCOWQFVPVPRU-UHFFFAOYSA-N 391.471 2.607 0 1 GFAF COCCOc1cccc(C2=NCC(=O)N3CCc4c(OC)cccc4C3=C2)c1 149190649 ZMAWUCGAPUTZLE-UHFFFAOYSA-N 392.455 2.949 0 1 GFAF COC1CCC2(CC1)Cc1ccc(-c3cnccn3)cc1[C@@]21N=C(N)N(C)O1 140511601 APYZHABPRFFPDY-LFNLJPBCSA-N 379.464 2.620 0 1 GFAF O=C([C@@H]1CN2CCC[C@@H]2CO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660079 BVVASFUPHJDMHI-APWZRJJASA-N 393.418 2.706 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 586946590 MMEYSLUMRKCOOV-CYBMUJFWSA-N 393.415 2.965 0 1 GFAF CC[C@@H](c1nc2ccnc(O)c2[nH]1)n1cc(I)c(C)n1 587185435 UEFDHMLVXNRUSX-JTQLQIEISA-N 383.193 2.772 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(C(=O)OC)c3[nH]2)cc1 587229022 YJKGCXXVRBNNDC-UHFFFAOYSA-N 396.403 2.848 0 1 GFAF COc1cc2c(cc1OC)[C@]1(CS(=O)(=O)Oc3ccccc31)N(C)[C@H](C)C2 962565540 HSJGZUXCZOQFSC-ZUOKHONESA-N 389.473 2.546 0 1 GFAF COCCn1c(C)cc(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c1C 12537603 DZJVYXDAMKUXEQ-RGMRCXJASA-N 389.492 2.809 0 1 GFAF O=C1C[C@]2(C(=O)N1)c1ccccc1C(=O)N2Cc1ccc(Cl)c(Cl)c1 13651419 CYCKDKJWDWBQNS-GOSISDBHSA-N 375.211 2.891 0 1 GFAF Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1 115372315 JOLXSDWLLOKVDT-UHFFFAOYSA-N 376.467 2.505 0 1 GFAF CCN1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccccc2)CC1 22585458 RHSZNJXCMDXTCO-VQIMIIECSA-N 393.578 2.794 0 3 GFAF CCOc1ccc(F)c(CCNC(=S)N[n+]2ccc(Cl)cn2)c1Cl 27429345 BTRLKRGVCIXAMP-UHFFFAOYSA-O 390.291 2.874 0 1 GFAF CCn1cc(C(=O)N2CCC[C@H]2C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21 103185497 FVTZCBYAEJGBBM-ZDUSSCGKSA-N 382.338 2.729 0 1 GFAF CC(=O)O[C@@H](C)OC(=O)N(C[C@@H](O)COc1cccc2[nH]ccc12)C(C)C 26951280 HPPOMZGDDQHFPI-HUUCEWRRSA-N 378.425 2.664 0 1 GFAF COC(=O)C[C@@H]1CO[C@](C)(O)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 2356490454 JFXKBFPAEBJNEN-SUVGWOABSA-N 384.476 2.621 0 1 GFAF c1ccc(CO[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2SC2CCCC2)cc1 2356871864 YLWFNDANQSNTDP-BDXSIMOUSA-N 388.493 2.632 0 1 GFAF O=c1c(-c2cccc(CO)c2)cccn1[C@H](CN1CC[C@H](O)C1)c1ccccc1 36190518 CZIDHILBPYABIX-JTHBVZDNSA-N 390.483 2.664 0 1 GFAF CCN(CC)C(=O)OCn1cc([C@H](O)c2ccc3c(c2)C=CC(C)(C)O3)nn1 72180796 ROLKGGNESCBACX-GOSISDBHSA-N 386.452 2.980 0 1 GFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@@H]3Cc3ccccc3)cc2N1 73198001 QQJNEPFCXZBMIV-MRXNPFEDSA-N 377.429 2.578 0 1 GFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cc(OC)ccc2OC)C1 36380658 NYYQCSKFMQYOAZ-UHFFFAOYSA-N 390.509 2.761 0 1 GFAF CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2cccnc2)C1 72108910 LLVCSBQXVLWSIT-UHFFFAOYSA-N 394.454 2.907 0 1 GFAF CO[C@H]1O[C@@]2(Cc3ccc4c(c31)OCO4)c1cc3c(cc1CCN2C)OCO3 238753729 QXPNCCVBNLAVEG-SFTDATJTSA-N 383.400 2.703 0 1 GFAF C[C@@H]1CC[C@@H](Nc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1 142524961 UKZSHHHAVAKCOP-NVXWUHKLSA-N 387.447 2.639 0 1 GFAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccc(C#N)c2)ccc1=O 25236448 XAQHEMVGPQEXJA-WBVHZDCISA-N 379.485 2.696 0 1 GFAF biogenic c1cc2c(c(OC3CCOCC3)n1)C(c1ccc3c(c1)ncn3C1COC1)=NC2 96176016 HPNDETGBXAULEO-UHFFFAOYSA-N 390.443 2.911 0 1 GFAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255209429 FLMSQRUGSHIKCT-DYKLACKJSA-N 390.520 2.575 0 1 GFAF Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(N)=O 587578554 RHBSSCLSWFUTAK-DYESRHJHSA-N 378.384 2.707 0 1 GFAF NC(=O)c1cccc(C[C@H](N)c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587259812 MNRVVVJZOIEGRX-JTQLQIEISA-N 394.660 2.715 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2cnn(C)c2)N1 587764754 QRAVHOBDPJUNAD-IPVPJANISA-N 394.244 2.740 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 586945882 COPLFVTXWBASCI-GFCCVEGCSA-N 392.868 2.736 0 1 GFAF COC(=O)[C@H]1c2ccc(OC)nc2CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395943 WLHPOWXHTPEGHU-NQIIRXRSSA-N 382.416 2.588 0 1 GFAF COc1ccc2c(c1OC)[C@](C)(c1ccccc1OCC(N)=O)N(C)[C@@H](C)C2 962635287 RIBGTOXAQNYHKA-FPTDNZKUSA-N 384.476 2.708 0 1 GFAF O=C(C[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21)c1nccs1 962911076 YHOGMZWANVDGKR-BONVTDFDSA-N 388.342 2.912 0 1 GFAF CCn1ncc2cc3nc(c21)CCCO[C@@H](O)[C@H](c1ccccc1)NC(=O)N3 1772654792 SPHRYCNMOJOQJP-PKOBYXMFSA-N 381.436 2.595 0 1 GFAF C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC(C)(C)O2 5070116 JFZUFAXWLMYIJR-HHXXYDBFSA-N 389.540 2.737 0 1 GFAF CCOC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19529683 NKVDDHHSNMJOSL-LVBDUCALSA-N 392.455 2.767 0 1 GFAF CCN(CC)CCN(C)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167196805 LSRZBZWRGJSECG-UHFFFAOYSA-N 396.535 2.653 0 1 GFAF CS(=O)(=O)c1n[nH]c(-c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)n1 1857637440 FQUGYAZBRNNQNJ-UHFFFAOYSA-N 391.762 2.733 0 1 GFAF C[C@]1(c2cccc(NC(=O)c3ccc(Br)cn3)c2)COCC(N)=N1 113657296 HALWMQVNBCAXRZ-QGZVFWFLSA-N 389.253 2.699 0 1 GFAF O=C(O)CCCCC(=O)C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 27518203 HVGGLWUCGHFRFF-IREBDAGZSA-N 380.481 2.654 0 1 GFAF COc1cc(=O)oc(C=CC=CC=CC=C[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)c1C 2356536775 BXUGQFINZUXAKN-SEPFQZFQSA-N 388.460 2.928 0 1 GFAF CO[C@H]1CC[C@@H](C[C@H]2COC(=O)[C@H]2C[C@@H]2CC[C@H](O)[C@H](OC)C2)C[C@@H]1OC 2356665230 YYGRXNOXOVZIKE-NQVQJYAZSA-N 384.513 2.562 0 1 GFAF O=C(NC1CCCCC1)[C@@H]1O[C@@H](CCN2CCc3ccccc3C2)CC[C@H]1O 2356837984 LPDMWMYWPNLVTL-YPAWHYETSA-N 386.536 2.792 0 1 GFAF O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2=CCCC2)nn1 8299743 QLROOMIQQJMZOG-XHSDSOJGSA-N 384.509 2.651 0 1 GFAF biogenic CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@@](SC)(C(C)C)NC1=O 13430495 JXDWMFMAEDSXNI-ROUUACIJSA-N 377.535 2.731 0 1 GFAF biogenic CN(C)CCCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085528 OYWXOBFZBMNIRH-OAHLLOKOSA-N 391.493 2.893 0 1 GFAF Cn1nccc1-c1nnc2n1CCN(C(=O)c1cccc(Cl)c1Cl)C2 95565311 KRKJTKLQKBOCPC-UHFFFAOYSA-N 377.235 2.641 0 1 GFAF O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F 95894076 LRMMVBQEHJINRJ-AABGKKOBSA-N 380.419 2.551 0 1 GFAF CC(=O)N1[C@H](CNC(=O)C2CC2)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95895445 BLSCEVGOPDFIED-BHIFYINESA-N 396.462 2.694 0 1 GFAF O=S(=O)(c1ccccc1)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1 95578246 YBXKHICGEVIRLH-UHFFFAOYSA-N 381.461 2.938 0 1 GFAF CCS(=O)(=O)N1CCC[C@@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587876712 WUHCVWIKHITSGZ-LLVKDONJSA-N 379.413 2.497 0 1 GFAF Cc1csc([C@@](O)(Cc2nc3c(S)nc(S)nc3[nH]2)C(F)(F)F)n1 587094259 OGSHPDMKGSMZQF-NSHDSACASA-N 393.441 2.688 0 1 GFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Br)nc2[nH]1 587224487 IZBUXCJKEBTGSN-JTQLQIEISA-N 375.226 2.804 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c1)O2 587396348 JMMXSCXRDWHBMR-JLCFBVMHSA-N 397.475 2.630 0 1 GFAF O=C1c2ccc(O)cc2O[C@@]2(CCCS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 587374452 KJEJBEXDOJGUOF-IEBWSBKVSA-N 376.405 2.838 0 1 GFAF Cc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1C 587179798 GHYNRCGZYKSQIA-UHFFFAOYSA-N 396.188 2.883 0 1 GFAF O=C([C@H]1Cc2ccccc2[C@H](Cn2c(=O)oc3ccccc32)N1)C(F)(F)F 962729640 IQBZKOWQUWCEKZ-KGLIPLIRSA-N 376.334 2.982 0 1 GFAF COc1ccccc1N1CCN(Cc2cnc3c4ccccc4nc(O)n23)CC1 13780710 DUNKRRVDFBTVDR-UHFFFAOYSA-N 389.459 2.919 0 1 GFAF COc1ccccc1OC[C@H](O)CNCC1(c2cccs2)CCOCC1 1857644446 MRAOWQQVYLLRDH-MRXNPFEDSA-N 377.506 2.834 0 1 GFAF CN1[C@H]2CC[C@@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C(C)(C)C)C2 5834258 GNGUWCPRUDOETC-BETUJISGSA-N 387.455 2.877 0 1 GFAF CN(CC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1)Cc1ccccn1 12298902 BZBQGZPDQHXOHK-UHFFFAOYSA-N 379.439 2.628 0 1 GFAF CCOC(=O)c1c(NC(=O)N2CCCCC2)sc2c1CCN(C(C)=O)C2 13443752 BOJSYLOWLYAEOX-UHFFFAOYSA-N 379.482 2.847 0 1 GFAF O=c1[nH]c2cc(Cl)c(Cl)cc2n(NC(=S)Nc2ccccc2)c1=O 26580138 JSTHWELXCZATCG-UHFFFAOYSA-N 381.244 2.937 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N4CCCC4)CC3)cc21 27329887 FABINGDMQFPUOQ-UHFFFAOYSA-N 387.455 2.923 0 1 GFAF Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](O)[C@H]2C/C=C\CCCC(=O)O)cc1 28226575 AHIGENLQAMBSQQ-ONJMKARJSA-N 381.494 2.614 0 1 GFAF CC[C@H]1CN(CC(=O)N2CC[C@H](N(CC)CC)C2)Cc2cc(OC)ccc2O1 39531419 UGQKIVACQMVZID-OALUTQOASA-N 389.540 2.611 0 1 GFAF CCCCSc1nc(NC)c2[nH]c(=O)c(=O)n(Cc3ccc(F)cc3)c2n1 40866360 VXMILTBKDWEHOY-UHFFFAOYSA-N 389.456 2.601 0 1 GFAF CC(C)Oc1cc(C(=O)N(C)C)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 62241577 QBRQFIWZRIJTJG-SFHVURJKSA-N 398.459 2.601 0 1 GFAF COc1cc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CO)cc(OC)c1OC 64373442 GDYKQKGRZSIIOL-QGZVFWFLSA-N 384.432 2.691 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)C23CN(C(=O)NC(C)C)C3)cc1 95668464 CEIDEBHYTMEGBM-UHDDOPSISA-N 397.519 2.589 0 1 GFAF CNc1nc(Nc2ccc(C(=O)N3CCC(O)CC3)cc2C)ncc1Cl 169705140 YHVAUPHDEXGIFB-UHFFFAOYSA-N 375.860 2.821 0 1 GFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H]3CCOC3)c2cn1)c1ccccc1 210777512 RUMKJXOZRUTZDG-WMLDXEAASA-N 396.451 2.668 0 1 GFAF C[C@@H]1CCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 224010618 UKQGIZHKRHTOKI-DOMZBBRYSA-N 394.443 2.858 0 1 GFAF CCS(=O)(=O)NCCCc1nc2cc(Cl)cc(Br)c2[nH]1 586942182 HVBHBFLXVCWALP-UHFFFAOYSA-N 380.695 2.851 0 1 GFAF Cc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125188 ONPKRGGOXOUCSP-UHFFFAOYSA-N 398.366 2.899 0 1 GFAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 587128943 GCNWZAOXJYRMTK-UHFFFAOYSA-N 382.392 2.519 0 1 GFAF CCn1cc([C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587762196 DQNCKYHWKXQTBK-ABKXIKBNSA-N 382.233 2.667 0 1 GFAF CCOC(=O)[C@]1(c2ncccc2C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962766744 PAUXFBSRGWVDBD-BEFAXECRSA-N 392.377 2.842 0 1 GFAF COC(=O)C1=C[C@@]2(N[C@H](C)Cc3c(OC)ccc(OC)c32)c2ccccc2O1 963639589 VUNOYOAENQJIMJ-MCMMXHMISA-N 381.428 2.931 0 1 GFAF C[C@@H]1CN(CC2CCCCC2)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 1772642506 ZSUJPDOSWCXSCU-CRAIPNDOSA-N 399.539 2.927 0 1 GFAF COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OS(C)(=O)=O 1857543281 YCEALWDVQBLSCM-UHFFFAOYSA-N 375.402 2.908 0 1 GFAF Cc1ncc(-c2nc(=N[C@@H]3CCC(F)(F)C3)[nH]c(=N[C@H]3CCC(F)(F)C3)[nH]2)[nH]1 1857656332 WXUIXALGZVQUGH-PHIMTYICSA-N 399.396 2.613 0 1 GFAF N[C@@H](Cc1ccc(F)cc1)c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1 61926894 ZCRSHAHUGRQYJU-HNNXBMFYSA-N 392.481 2.916 0 3 GFAF CC=C1CN2CC[C@H]1[C@](COC(C)=O)(C(=O)OC)c1[nH]c3ccccc3c1C2 2356453636 FFOLRDAPZBOCPV-GCJKJVERSA-N 382.460 2.924 0 1 GFAF CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4cccnc4)nc23)C1=O 28825883 QVJVOCPGQJOMPY-UHFFFAOYSA-N 385.427 2.936 0 1 GFAF CN1CCN(CCOc2ccc(Br)cc2Br)CC1 103288537 LWIGSJYTEAOKGT-UHFFFAOYSA-N 378.108 2.838 0 1 GFAF O=C(O[C@H]1C[C@@H]2C[C@@H]1[C@H]1CCCCN1C2=O)N1CCN(c2ccccc2)CC1 103061459 VBQMMEXSTHWJJH-NBYUQASBSA-N 383.492 2.735 0 1 GFAF C[C@@H](CN1CCCCC1)OC(=O)[C@H]1CCCCN1C(=O)C(=O)c1ccccc1 25966947 XJAZQNWIEIGPLN-PKOBYXMFSA-N 386.492 2.668 0 1 GFAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H](C)[C@@]23C[C@H](COC)C(C(=O)O)=C3C1 2356862238 UXZZATXVUFODKU-FLJZCLIJSA-N 375.513 2.706 0 1 GFAF CN1CC[C@]23Cc4nc5c(O)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95560458 WKYUIXGZVZDIIN-GMKZXUHWSA-N 388.467 2.674 0 1 GFAF OCCn1cc(-c2cc(CO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144911061 NEZGDXCKCVDFHS-IBGZPJMESA-N 390.361 2.813 0 1 GFAF CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@@H]3[C@@](C)(C[C@@H](O)C[C@@]3(C)CO)[C@H]2CC1 95914046 KWIJYAKGYJADGK-CPDXTSBQSA-N 380.525 2.823 0 1 GFAF biogenic,in-vitro COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c[nH]ccc3=N)[nH]c2c1 587249229 JSUYFUHEJAWDDR-UHFFFAOYSA-N 395.444 2.847 0 1 GFAF CC(C)COc1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2cc1Br 586922007 HMUDASZKKKRDTO-VIFPVBQESA-N 392.190 2.538 0 1 GFAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)[C@@H](C)F)[nH]c3c2)cc1 587126076 VPPFMSRKJQAWIV-HWPZZCPQSA-N 378.429 2.730 0 1 GFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(OCCN(C)C)cc2[nH]1 587225114 NQOGONLKCNPYMW-HNNXBMFYSA-N 382.464 2.587 0 1 GFAF COc1cc2c3c(c1)O[C@@](C(=O)O)(C14C[C@H]5C[C@@H](CC(O)(C5)C1)C4)[C@@H](C2)C3=O 587451933 SEVVDOKNVOVCQY-MGMYGGHASA-N 384.428 2.597 0 1 GFAF Nc1cc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2cc1N 587000757 UKHMBMNGIGAREB-UHFFFAOYSA-N 387.193 2.969 0 1 GFAF COc1ccc([C@@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)c(OC)c1 963122409 MUDOYBUCQWSHFM-NRFANRHFSA-N 385.416 2.656 0 1 GFAF COc1ccn2c(c1)nc1c2c(=O)n(CC(C)(C)C)c(=O)n1Cc1ccccc1 1772579603 KIYLYGBJJWJACA-UHFFFAOYSA-N 392.459 2.914 0 1 GFAF N=C(N)c1ccc2cc(C[C@@H](C(=O)O)c3ccc(O[C@H]4CCNC4)cc3)oc2c1 13735917 YHAXAOUTROPKEV-PKOBYXMFSA-N 393.443 2.868 0 1 GFAF Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(C2CC2)cn1 169706107 PAWPQSSHICPOCS-UHFFFAOYSA-N 386.463 2.913 0 1 GFAF Cc1ccc(-c2noc([C@@H]3C[C@H]3O)n2)cc1NC(=O)c1cnc2ccccn12 206107577 VVYKXEVSEJUERS-CZUORRHYSA-N 375.388 2.793 0 1 GFAF CCCCNC(=O)C(C)(C)n1cc(NC(=O)c2ccc(OC)c(OC)c2)cn1 205206788 ZXVSUMRHAULQCR-UHFFFAOYSA-N 388.468 2.804 0 3 GFAF O=C(NCc1cc(F)c(F)c(F)c1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O 205699760 VQWSQLSPVDZODO-UHFFFAOYSA-N 393.296 2.629 0 1 GFAF C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@@H](C)N[C@H](C)C4)c(c32)S1 1913701 LWKWCDOODAUPOG-MXWKQRLJSA-N 391.468 2.520 0 1 GFAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356366959 TUTOSPSPBZUUEE-PUONGMCYSA-N 378.509 2.577 0 1 GFAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 2487439 DVYQIHVMUDNWEO-SJLPKXTDSA-N 376.497 2.824 0 1 GFAF Cc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccc(F)cc1Cl 104207524 CLNGFRIXBDLVBJ-UHFFFAOYSA-N 388.830 2.950 0 3 GFAF CN(C)CCN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28128975 ZEYIGLPPZZGAEE-UHFFFAOYSA-N 390.915 2.884 0 1 GFAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(O[C@H]4CCCNC4)cc3)c3c(N)nccn32)C1 100619174 UJZBMEWPJMRGDE-GIMINZRKSA-N 393.491 2.738 0 1 GFAF COc1ccc([C@@H]2Sc3ccccc3N(CCO)C(=O)[C@@H]2OC(C)=O)cc1 28218588 RBHXZANTTSUQRU-MOPGFXCFSA-N 387.457 2.799 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CC=C3C[C@H]4C[C@]3(CC[C@]4(O)CO)[C@]2(C)CC[C@H]1O 2356326319 WQTFWVCETRQASJ-PBBQUWACSA-N 378.509 2.577 0 1 GFAF COc1ccc([C@@H]2Oc3c4c(cc(O)c3C(=O)[C@@H]2O)OC(C)(C)C=C4)cc1O 2356754507 KAJUHLFVBDUNFT-OALUTQOASA-N 384.384 2.968 0 1 GFAF COc1cc(/C=C(/C(=O)O)c2cc(/C=C/C(=O)O)cc(OC)c2O)ccc1O 38723717 DEPVSDIYICBTJE-SITOFEAGSA-N 386.356 2.838 0 1 GFAF in-vitro COc1ccc(Cc2nc(N)n(C)c2Cc2ccc(OC)c(OC)c2O)cc1 14611956 OTMBMZXGDGYWOV-UHFFFAOYSA-N 383.448 2.915 0 1 GFAF biogenic CC(=O)O[C@H]1Cc2cc3c(cc2C2=NCc4c(ccc5c4OCO5)[C@@]21C)OCO3 13380158 MGTASFKHNQIQPG-SIKLNZKXSA-N 393.395 2.892 0 1 GFAF biogenic COc1ccc(-c2ccn(C[C@@H](N)C(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1 71295714 SVBRRSGCJJMNSP-LJQANCHMSA-N 393.443 2.650 0 1 GFAF CCCCc1nc2nc(N3CCC[C@@H](C(=O)N(CC)CC)C3)ccc2[nH]c1=O 82231604 OTRUZDKXEIXPQA-OAHLLOKOSA-N 385.512 2.746 0 1 GFAF CC(=O)O[C@H]1O[C@H](c2ccoc2)C[C@]12[C@H](C)C(=O)C[C@@]13COC(=O)C1=CC=C[C@H]32 238781645 AVKKLSULAQTUAJ-VZOPFOAMSA-N 398.411 2.881 0 1 GFAF Cc1ccc(OCC2CN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)C2)cc1 299832800 TYBGSVIOIISSMW-RUDMXATFSA-N 377.444 2.825 0 1 GFAF O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(O)cc2[nH]1 587003337 TZHBUOXQWKWXSR-UHFFFAOYSA-N 388.221 2.999 0 1 GFAF COc1cccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586947368 XBGFXEIJBXDARA-AWEZNQCLSA-N 387.461 2.696 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCN4CCOCC4)cc1)[C@@H](C2)C3=O 587441805 HFQJAGYIIRQTRX-WMZHIEFXSA-N 395.455 2.895 0 1 GFAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(CN4CCOCC4)cc3[nH]1)C2 587246595 HPRLXQGPCFMVMI-HSZRJFAPSA-N 392.503 2.747 0 1 GFAF C[C@@H](NS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C(=O)O 587216486 CEKXXFZMTBKRPW-GFCCVEGCSA-N 382.441 2.752 0 1 GFAF COC(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2n1 587125041 OYCCJZSFSIEGOU-WRWORJQWSA-N 380.330 2.916 0 1 GFAF Cc1cc2c(cc1O)[C@@](CO)(c1ccc(Cl)c(Cl)c1)N[C@H](C(=O)O)C2 963527966 RLAWCXKFSCLZGB-MAUKXSAKSA-N 382.243 2.842 0 1 GFAF CN1CN([C@H]2CC[C@H](CNCC(F)F)CC2)c2c(c[nH]c3nccc2-3)C1=O 1772645796 MKIDOWPCPNPANG-JOCQHMNTSA-N 377.439 2.778 0 1 GFAF CN(C)c1nc(O)cc(C(=O)NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)n1 1772652926 HHNSDGKEUZAJEJ-UHFFFAOYSA-N 384.333 2.825 0 1 GFAF C[C@H](NC(=O)[C@@H]1C(=O)N(CCO)[C@@]2(C)C[C@@H]1c1ccccc1O2)c1ccccc1 13147448 MFKFSVAFSUHGOG-NHNNZEKSSA-N 394.471 2.597 0 1 GFAF COc1ccc2c(c1OC)CN1[C@H](C(=O)O)Cc3cc4c(cc3[C@@H]1C2)OCO4 1857559293 VODKHENZNPOMEU-HOTGVXAUSA-N 383.400 2.541 0 1 GFAF COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)CC=C[C@H](C)OC2=O 1857586068 BYYOHNRGQACTPJ-WNVHLOTPSA-N 398.411 2.536 0 1 GFAF Cn1cnc2ccc(CC(=O)N=c3ccn(Cc4ccc(F)c(F)c4)[nH]3)cc21 1857641225 GRKKRAWVMXSXDH-UHFFFAOYSA-N 381.386 2.699 0 1 GFAF c1cnc(N2CCN(CCCN3CCc4[nH]c5ccccc5c4C3)CC2)nc1 29486707 CDAZOCGTPOVALB-UHFFFAOYSA-N 376.508 2.528 0 1 GFAF Cc1ccccc1[C@@H]1CCc2c(C(=O)NCCO)cc3c(nc(C)n3C)c2O1 49110303 BKDHECAUABUFKI-IBGZPJMESA-N 379.460 2.979 0 1 GFAF NCCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c2c1 66167120 LLZGCYHPURCHJM-UHFFFAOYSA-N 394.456 2.836 0 1 GFAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)O)C2 96285852 GQGRTDFKONOVAH-UHFFFAOYSA-N 380.231 2.863 0 1 GFAF NS(=O)(=O)c1c(F)c(F)c(-n2cc(C3CCCCC3)nn2)c(F)c1F 98208778 RAGBVAFIIJNDRZ-UHFFFAOYSA-N 378.351 2.519 0 1 GFAF in-vitro CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)NCCO)CC[C@@H]4[C@@H]3CC[C@@H]12 169321559 RYYSYRHPOPBMEU-GQQFPJJJSA-N 376.541 2.575 0 1 GFAF CN(C)CCc1cc2c(cc1/C(O)=C1\OC(=O)c3c1ccc1c3OCO1)OCO2 238768985 ACNHNYWTOXYOGZ-VHEBQXMUSA-N 397.383 2.802 0 1 GFAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)CCCC(=O)O)C=CC(=O)O1 253639020 MOGVXKCDKQZYPO-IGKNDFSCSA-N 394.464 2.768 0 1 GFAF CCN(CC)CCN(C)c1ccc(CO)c2c1C(=O)c1ccccc1[S@@]2=O 254074715 DKFBADJXESVXLK-MHZLTWQESA-N 386.517 2.668 0 1 GFAF O=C1CCc2cc(/C=C/C(=O)N3CC(COc4ccc(F)cc4)C3)cnc2N1 299834537 YRFQLJDHWLCIFE-UNXLUWIOSA-N 381.407 2.656 0 1 GFAF Cc1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2c1 586928771 KAQXIJRYIGHESF-UHFFFAOYSA-N 395.282 2.850 0 1 GFAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(CO)cc2[nH]1 586945236 BUEWMUGHHRDBIS-UHFFFAOYSA-N 389.458 2.855 0 1 GFAF CN(C)C(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193788 QEWPLWRVSVCRSO-UHFFFAOYSA-N 394.475 2.784 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1nc[nH]n1 587586496 CMTBEGBHZRUGGB-UTKZUKDTSA-N 386.367 2.811 0 1 GFAF CN1CCN(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587592684 IOEFRXSELHVQIJ-SIKLNZKXSA-N 382.460 2.750 0 1 GFAF CC(C)(C(=O)NCc1ccc2c(c1)OCCO2)n1cc(-c2cccnc2)cn1 618008033 DCCIYZAIFUATTB-UHFFFAOYSA-N 378.432 2.768 0 1 GFAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@]1(C2)N[C@H](C(=O)O)Cc2cccc(F)c21 962916473 FGCLPKNKWJQWTF-RBUWEDBYSA-N 376.428 2.649 0 1 GFAF Nc1nccc2[nH]c([C@@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cc12 962983635 YYYJRJHLFQQLIG-WFASDCNBSA-N 378.766 2.765 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@]3(C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)c3cccc1c32 963033782 UPYQONKAPFPWRR-SGRMJCNGSA-N 383.492 2.965 0 1 GFAF Cc1cc(OCCCN2CCN(c3cnccn3)CC2)c2c(C)cc(=O)oc2c1 1857649270 BFKWPFXFDDLDLI-UHFFFAOYSA-N 394.475 2.791 0 1 GFAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@H]1O 2356315914 QRLPNJWAPSTPDF-SRVVVWIRSA-N 376.541 2.619 0 1 GFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NC(=O)c2cc3ccccc3s2)cc1 2356457936 CHUNGXOXXUUVIM-XAMWDVODSA-N 383.469 2.918 0 1 GFAF Cc1ccc(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)cc1 917024 BIDNXKCERNMJLS-UHFFFAOYSA-N 379.395 2.663 0 3 GFAF COc1cccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c1 12470639 YTODJGJSWURSFI-UHFFFAOYSA-N 379.445 2.923 0 3 GFAF CCOc1ccc([C@H](CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OCC 13757397 WTGUYKUCSLEJTB-INIZCTEOSA-N 382.416 2.697 0 1 GFAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@](C)(CC)O2 14966333 RNPYGOUJOKJBQI-NRFANRHFSA-N 399.495 2.801 0 1 GFAF COc1ccc(OC)c(C(=O)N[C@@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)c1 28456871 UDICITPBHFUUCH-MRXNPFEDSA-N 398.459 2.827 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OC[C@H]2CCCN2C)co1 82073485 MTRJEOYDZHOHHM-APWZRJJASA-N 397.475 2.892 0 1 GFAF O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95893460 QOIZBCOVSIRXJY-RYRKJORJSA-N 396.409 2.831 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2ncn(c2Cl)C/C=C\COc2ccc(Cl)c1c2 169313428 QUDCZXQWFLQTLO-BOPNBLERSA-N 396.230 2.564 0 1 GFAF O=C(Nc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1)c1cnco1 219726580 DHNWQALEHKCSSF-LJQANCHMSA-N 393.443 2.725 0 1 GFAF COC(=O)C(CC1=C(c2ccccc2)CC(C)(C)ON1C(C)=O)C(=O)OC 299838194 MCUWNHXAHPQBKZ-UHFFFAOYSA-N 375.421 2.712 0 1 GFAF CC(=O)N1N=C(c2cccs2)O[C@H]1C(=O)NCCc1cccc(Cl)c1 299852269 PQCPWNNIDMATAE-KRWDZBQOSA-N 377.853 2.627 0 1 GFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 587203500 QXLNESFSGHGAEB-HNNXBMFYSA-N 397.387 2.776 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)N4CCCC4)cc1)[C@@H](C2)C3=O 587447958 GQBCGASSTIBGQS-LAUBAEHRSA-N 399.468 2.968 0 1 GFAF CCOC(=O)[C@]1(c2nccn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587755109 ODQJSWNNIPMZCY-QGHHPUGFSA-N 396.260 2.663 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)C2CCOCC2)N1 587756937 SKIDXDOKNSXLLI-QMTHXVAHSA-N 385.277 2.706 0 1 GFAF COc1cc2c(cc1OC)[C@@](C)(c1cnc[nH]1)N(C(=O)c1ccccc1N)CC2 963161667 URFKPWASFNEPKR-QFIPXVFZSA-N 392.459 2.971 0 1 GFAF CN(C)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c(=O)c2nncn23)cc1 1857535730 VFBQWZUAIRMUIJ-UHFFFAOYSA-N 390.451 2.759 0 1 GFAF CC(C)Cn1c(O)nc(C(=O)N[C@H]2CC[C@@H](c3ccccc3)CC2)c(O)c1=O 1857600607 VBKQYPZEJLYVPT-IYBDPMFKSA-N 385.464 2.767 0 1 GFAF CN(C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1)c1ccccc1 2356297906 ACHDRDKJHOBRLK-QKNQBKEWSA-N 399.560 2.812 0 1 GFAF CC=C1CN2CC[C@@]34c5ccccc5N[C@H]3[C@@]2(C)C[C@@]1(C)[C@]4(CO)C(=O)OC 2356507316 RKEYBMSLSYRTDT-VFMKGFAKSA-N 382.504 2.705 0 1 GFAF CNC[C@@H]1C=CN(C(=N)NC)C[C@]12[C@H]1CC[C@H]3CC=C[C@@H]4CC(C(=O)O)=C(C1)[C@]432 2356705857 GBOTYAJSMKXMGZ-IGUHAUHYSA-N 396.535 2.569 0 1 GFAF CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](C2CC2)[C@@H]1CCCO 13656963 HMTZXNJOIMGSQW-WCJKSRRJSA-N 399.491 2.871 0 3 GFAF Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)O 3936465 SKAMMHFAAPVGDE-UHFFFAOYSA-N 395.459 2.862 0 1 GFAF CCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(O)n2n1 8594404 XVBQPJZQSDSJHH-UHFFFAOYSA-N 389.481 2.799 0 1 GFAF C/C=C1\CO[C@@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C=C1C=C(C)C 13828924 ONQKJHIYDLSEGV-FTTDQBRBSA-N 388.430 2.605 0 1 GFAF COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@H]2C(C=O)=C(C)OC[C@H]2[C@@H](C3=O)N1C 14417415 AFHGOQPKVXJDHG-UQWBFEFOSA-N 380.444 2.864 0 1 GFAF biogenic CCN(CC)C[C@@H]1CCCCN1CC(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 23478190 REKXQUNAUIKCRQ-MSOLQXFVSA-N 386.540 2.804 0 1 GFAF COc1cc(N2C(=O)[C@H](OC)[C@@H]2c2ccc3c(c2)OCO3)cc(OC)c1OC 26176972 ASJCRGVHHQDGLN-PKOBYXMFSA-N 387.388 2.544 0 1 GFAF COc1cc2c(cc1OC)-c1c/c(=N/c3c(F)cccc3F)n(C)c(=O)n1CC2 29246442 QSNLKFSOZYFJTK-CLCOLTQESA-N 399.397 2.938 0 1 GFAF O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(c2nc(-c3ncccn3)no2)CC1 43024637 DIYUAKHOKKCOEE-DLBZAZTESA-N 390.447 2.972 0 1 GFAF CN(C)c1ccc(C(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCCCC2)cc1 43527050 UGMVELZZZGAVCE-RZUBCFFCSA-N 384.568 2.679 0 1 GFAF biogenic Nc1nc2ccccc2nc1NCC(=O)Nc1ccc(CN2CCCC2)cc1 82149989 DAMWQHITIPFXAO-UHFFFAOYSA-N 376.464 2.858 0 1 GFAF CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 82213033 QEHPBNZRIGTBSJ-IAGOWNOFSA-N 383.496 2.821 0 1 GFAF COCc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103247045 ZYEQYALBYLQBMW-UXEHXKBYSA-N 392.521 2.810 0 1 GFAF Nc1cc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccn1 144770373 AMUOJPCIQMWLGB-MRXNPFEDSA-N 378.436 2.582 0 1 GFAF CCCC[C@H](O)C1=C[C@H]2Oc3c(OC)ccc4c3[C@]23CCN(C)[C@@H](C4)[C@]3(O)C1 169295454 WBVBPFKXFKIIPB-VSQHQGCFSA-N 385.504 2.567 0 1 GFAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]12C[C@H]1[C@@H](N=O)c1ccccc1O2 169716584 MZNKZHJGVLNPEC-ONFYXGJMSA-N 380.400 2.546 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@H]3C[C@H]4C[C@]3(CC[C@]4(O)CO)[C@]2(C)CC[C@H]1O 254201045 SSEWIUPYEWEJEH-OEOIFFENSA-N 380.525 2.657 0 1 GFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(Br)ccnc2[nH]1 587224975 LOHIPEICTDARKM-JTQLQIEISA-N 375.226 2.804 0 1 GFAF CCOc1nc(N2CCOCC2)sc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587413444 OBDZQXBHBWUYGZ-OAHLLOKOSA-N 389.477 2.976 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O 587444942 SSSROWCNTLBGOG-UWJYYQICSA-N 379.412 2.656 0 1 GFAF CCOC(=O)c1c[nH]nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592309 XYQIFMCQSXHRNF-HNAYVOBHSA-N 380.356 2.995 0 1 GFAF COc1cc(C[C@](C)(C(=O)O)n2ncc3ccc(Cl)cc3c2=O)ccc1O 587652897 NIBCEPKFMRAFSS-LJQANCHMSA-N 388.807 2.807 0 1 GFAF C=C1NC(=O)C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)=C(C)N1 587798663 VANLAZIWLLIOPP-QPFGOUBPSA-N 380.261 2.802 0 1 GFAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC=CC(=O)OC)[C@H](C)[C@H](O)[C@@H]2C 2356327992 MSFATTXTDHLTMG-JHLBKOOHSA-N 396.524 2.832 0 1 GFAF Cc1ccc2c(c1)c(=O)n(CC(=O)O)c(=O)n2Cc1ccc(Cl)c(Cl)c1 586737 VBPMYUQXCPANGC-UHFFFAOYSA-N 393.226 2.911 0 1 GFAF O=C(O)CS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 3600340 PKAWZIAHRPZEBF-UHFFFAOYSA-N 387.457 2.838 0 1 GFAF O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1/C=N/N1CCCC[C@@H]1c1cccnc1 6615415 KFDRLQJHJPJPPA-UEIZDATPSA-N 397.479 2.704 0 1 GFAF CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NC(=O)OC(C)(C)C)CC1 7260654 YFSVEQAACJQEOL-KRWDZBQOSA-N 388.512 2.665 0 1 GFAF O=C(O)Cn1c(=O)c2ccccc2n1Cc1ccc(Br)cc1F 13649917 MLIMISJQHAIRGX-UHFFFAOYSA-N 379.185 2.838 0 1 GFAF CONC(=O)c1cn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F 13679362 FFWCBXXLTJLUOY-UHFFFAOYSA-N 384.205 2.630 0 1 GFAF Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cnc3ccccc3c1)C2 14740466 HFPHHIWZGOWSSW-GOSISDBHSA-N 389.503 2.851 0 1 GFAF COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1S(=O)(=O)c1ccccc1 27082422 UDJFUPPIMHPAPB-WMLDXEAASA-N 393.848 2.781 0 1 GFAF O=C(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1)c1c[nH]c2cccc(F)c12 45286260 HKIBPHYNMONPQI-GJZGRUSLSA-N 391.402 2.615 0 1 GFAF Oc1cccc(-c2cc(N3CCOCC3)nc(NCCc3cccnc3)n2)c1 66252261 VAIXFHLEOXLEGI-UHFFFAOYSA-N 377.448 2.735 0 1 GFAF O=S(=O)(Nc1nnc(C2CCC2)[nH]1)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2 71317444 CWSNZLKGGODPSS-LNSITVRQSA-N 388.497 2.869 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@H]1n1cnc2c(Cl)ncnc21 95560578 JQXKUBUMPFEVRL-UFBFGSQYSA-N 389.790 2.615 0 1 GFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cccc(OC)c1 95894780 DVBSRULSALQOGV-BHDDXSALSA-N 395.503 2.964 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CN(CC)C(C)=O 95895309 DMYQOUWKCURJRZ-QNWVGRARSA-N 395.503 2.682 0 1 GFAF CCS(=O)(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3Cl)CC[C@H]2C1 103263666 JZUYHIAQGMBZNI-ZBINZKHDSA-N 391.320 2.783 0 1 GFAF Brc1ccc2oc(N3CCNC[C@@H]3COc3cccnc3)nc2c1 114579594 AFMHUSVESUCSCF-CYBMUJFWSA-N 389.253 2.843 0 1 GFAF CC(=O)N(CCO)CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144824929 XOBRNMREZCHXCG-IBGZPJMESA-N 395.377 2.685 0 1 GFAF COCc1cn(C2=NCC(=O)N3CCc4c(C5CC5)ccc(F)c4C3=C2)cn1 149270964 VTJXVUYJMWDVSF-UHFFFAOYSA-N 380.423 2.732 0 1 GFAF CC(C)C[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166012854 BMNXRHMYPLLHAE-IBGZPJMESA-N 382.464 2.766 0 1 GFAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@@H]2CN(c3ncccn3)[C@H]2C1 205435048 WRCGNLRXMOCUCI-DOMZBBRYSA-N 378.263 2.814 0 1 GFAF C=Cc1c(CCC)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 473124181 WQRWANRGNAJLNX-UHFFFAOYSA-N 395.551 2.942 0 1 GFAF COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O 587450348 TYHBAFHAXUAQTD-BTYIYWSLSA-N 397.452 2.864 0 1 GFAF CCOC(=O)[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587616618 LBFCSLOKQDJEHG-XXHMAFKTSA-N 384.384 2.692 0 1 GFAF COC(=O)[C@]1([C@H]2CCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811239 VZLMMDHRDGZLHC-LTHLMHMASA-N 384.245 2.860 0 1 GFAF O=C1NN[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)cs2)[C@@H]2CCCC[C@H]12 618014358 XDAKOPZCSWNHOZ-FTGAXOIBSA-N 392.431 2.836 0 1 GFAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](N)CO)cc12 653728693 MUFUIHUSGVASCG-KRWDZBQOSA-N 382.460 2.873 0 1 GFAF COc1ccc2c(c1)[C@](CS(C)(=O)=O)(c1ccc(F)cc1)N[C@H]1CC[C@@H]21 962998319 VBRFBVGIJRZUIL-IHPCNDPISA-N 375.465 2.972 0 1 GFAF COc1cccc2c3c(cnc12)CCN[C@]3(c1nccn1C)C1CCOCC1 963032357 IHBVNLHZSMSWDB-JOCHJYFZSA-N 378.476 2.793 0 1 GFAF C[C@@]1([C@@H]2C(=O)c3cccc4c3N(CCC4)C2=O)NCCc2c(C(=O)O)cccc21 963125463 VANQIUWSTFWQSC-WZONZLPQSA-N 390.439 2.538 0 1 GFAF CC(C)(C)OC(=O)N1[C@@H](c2ccc(CO)o2)c2scnc2C[C@@H]1C(=O)O 963140258 JSOHAEVKYGIZPU-YPMHNXCESA-N 380.422 2.564 0 1 GFAF CCCCN(CC(=O)NC(C)C)C(=O)CCCCCN1C=CN(C)/C1=C/N=O 1772640926 IQUWKCQRAGMSIQ-CYVLTUHYSA-N 393.532 2.984 0 1 GFAF CCOC(=O)CCCC(=O)Nc1cc(Nc2cc(OC)ccc2OC)ncn1 1857764995 NCPZSFIJPFMJDZ-UHFFFAOYSA-N 388.424 2.909 0 1 GFAF CN1CC2(CCC1=O)CCN(NC(=O)[C@H]1[C@H](c3ccc(F)cc3)C1(C)C)CC2 1857771375 YLDKFTRUCXWSFT-RBUKOAKNSA-N 387.499 2.931 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CCC3=C[C@H]4C[C@]3(CC[C@]4(O)CO)[C@]2(C)CC[C@H]1O 2356366957 TUTOSPSPBZUUEE-PBBQUWACSA-N 378.509 2.577 0 1 GFAF O=C(Nc1ccccc1)N1C[C@H]2COCCN2C2(C1)CN(C1CCCCC1)C2 2356415208 DHTOIMWOCJFJKA-FQEVSTJZSA-N 384.524 2.622 0 1 GFAF CC=C1CN(C)[C@H]2C[C@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 2356778975 ILXSNNTYRNLDCX-GDUWAJGQSA-N 384.476 2.526 0 1 GFAF C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCOc1ccccc1 95602018 ZPPYDKAZNWYPSN-NRFANRHFSA-N 377.448 2.638 0 3 GFAF CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)CS[C@@H]1c1ccccc1 1094195 JZLZRMODUWYVSC-HXUWFJFHSA-N 399.472 2.963 0 1 GFAF O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCCN1Cc1cccc(F)c1F 12753597 JCOTUAYENHSIKX-SFHVURJKSA-N 398.417 2.934 0 1 GFAF Nc1cccc(-c2cccn([C@@H](CN3CC[C@@H](O)C3)c3ccccc3)c2=O)c1 13488463 ZHNRRDSELDXVDH-IRLDBZIGSA-N 375.472 2.754 0 1 GFAF O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)Cc1ccc(Br)cc1 43178838 PVEJMVVRBFYQAK-INIZCTEOSA-N 385.261 2.861 0 1 GFAF CCCOCCNC(=O)Nc1nc2c(s1)CN(c1cncc(OC)c1)CC2 68245418 HEZDNJBRVAQMFB-UHFFFAOYSA-N 391.497 2.658 0 1 GFAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)Cc1cccs1)CC3 82196055 SHJDUNGAEURZJY-UHFFFAOYSA-N 394.456 2.711 0 1 GFAF CCc1cc(O)c(Oc2ccc(C(=O)N3CCNC(=O)C3)cc2F)cc1F 95573281 RKLWABNKXQWDRL-UHFFFAOYSA-N 376.359 2.597 0 1 GFAF Cc1cc2c(c(OC3CCOCC3)n1)C(c1ccnc(N3CCOCC3)c1)=NC2 96176053 BLIJUDKUVIDYDY-UHFFFAOYSA-N 394.475 2.530 0 1 GFAF CCN(CC)C(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 103258673 LAQFJHCATUVBHX-MRXNPFEDSA-N 386.493 2.804 0 1 GFAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCCCO)CC(=O)O1 169315815 NZGUMCZAKJOCSW-KGICYAMWSA-N 386.554 2.671 0 1 GFAF O=C(NCC1CC1)c1cnn2ccc(N3CCC[C@H]3c3cncc(F)c3)nc12 169704203 YIKVOJGIIXEFHZ-KRWDZBQOSA-N 380.427 2.745 0 1 GFAF C/C=C(/O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O)C(=O)O 263636733 IBSXOQJJZICENO-TUEHFUIASA-N 388.372 2.942 0 1 GFAF O=C1CCc2cc(/C=C/C(=O)N3CC(COc4ccccc4F)C3)cnc2N1 299827148 YHNNTXILFVKHDE-VMPITWQZSA-N 381.407 2.656 0 1 GFAF CN1CCC[C@@H](CN=c2[nH]c(Nc3cccc(-n4cccn4)c3)ncc2F)C1 473135037 KWWYSOYGQIJJNX-HNNXBMFYSA-N 381.459 2.721 0 1 GFAF COc1cc(OC)c2[nH]c(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)nc2c1 587023489 CWGSJMJEQNTSFC-UHFFFAOYSA-N 391.453 2.791 0 1 GFAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cnc3ccccc3c2[nH]1 587227718 TWTZXBSDJBRELL-UHFFFAOYSA-N 389.415 2.654 0 1 GFAF Nc1ccccc1[C@]1(C[C@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587510243 KDHVGUWOCXYNJT-AVRDEDQJSA-N 380.444 2.810 0 1 GFAF CC1=C[C@]2(CC(=O)N1CC(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 587756696 DZVWSNGSZAMDLN-HUTHGQBESA-N 397.244 2.538 0 1 GFAF CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O 1857603773 CCRMXUXRFLBUQY-UHFFFAOYSA-N 394.410 2.952 0 1 GFAF C=CS(=O)(=O)Nc1ccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)cc1 1857611596 CGQCCATUQKNLPF-UHFFFAOYSA-N 397.464 2.871 0 1 GFAF CC(=O)O[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC=C(C)[C@@H]3C2)OC[C@@H](O)[C@@H]1O 2356400030 NTUCDCCCTFLXCV-LIUPEVMDSA-N 396.524 2.954 0 1 GFAF O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccco1 100283657 ICWKKFHRJQPWDB-MSOLQXFVSA-N 377.400 2.518 0 1 GFAF COC[C@@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2c(C)cccn2n1 117874088 BUARRGHWOOQEGD-HNNXBMFYSA-N 397.504 2.755 0 1 GFAF COc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 22808908 DSNCXRXGMZSRBV-GOSISDBHSA-N 379.504 2.791 0 1 GFAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1 28471773 NQYDFNJSOIGZSU-UHFFFAOYSA-N 391.462 2.796 0 1 GFAF CCOC(=O)c1cnc(-c2ccc(Cl)cc2)nc1NN1C(=O)C=C(C)C1=O 29391781 BQSQYQQCGHOGDS-UHFFFAOYSA-N 386.795 2.616 0 1 GFAF COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)OC)[C@H]1N(CCc1c2[nH]c2ccccc12)[C@H]3OC 2356462195 JJOKMAKPXJZYLG-LDMXSZJOSA-N 398.503 2.853 0 1 GFAF CS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)c1 27216387 PMGXRFWGKTVXGL-UHFFFAOYSA-N 399.881 2.994 0 1 GFAF COc1ccc(C(=O)c2c3ccc(C(F)(F)F)cc3[n+]([O-])n2CCCN)cc1 36383488 BGJRDYDOVDTACM-UHFFFAOYSA-N 393.365 2.882 0 3 GFAF COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(C)nn23)cc1OC 1911585906 ZYZKGZFKVOJKSO-UHFFFAOYSA-N 383.452 2.578 0 1 GFAF O=C(C(=O)N1C[C@H]2C[C@@H]1CN2C(=O)c1ccccc1)c1c[nH]c2cccc(F)c12 45286258 HKIBPHYNMONPQI-HUUCEWRRSA-N 391.402 2.615 0 1 GFAF CC(C)COC(=O)N1CCN(c2ccc([C@H]3CC(C(=O)O)=NO3)cc2)CC1 40918592 OWKHITJSUMSTOC-QGZVFWFLSA-N 375.425 2.503 0 1 GFAF O=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1N1CCC(O)CC1 84616730 BGUBFXRFABGAPQ-UHFFFAOYSA-N 387.436 2.563 0 1 GFAF CNc1ncc2c(n1)C[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 45321275 QALOBVQQEGVYCI-CQSZACIVSA-N 396.466 2.997 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3\OC(=O)C(CO)=C31)O2 195524166 KZMMOGWSMBTTFY-MNWFZKHNSA-N 392.448 2.546 0 1 GFAF C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCC(C)(C)N(C)C 82084037 ULPWDBVRZQSMMN-ZDUSSCGKSA-N 390.509 2.888 0 1 GFAF COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(N)c2cc1OC 45210168 OFVGRIFCXSVSKV-UHFFFAOYSA-N 381.436 2.809 0 1 GFAF CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2Cl)S1(=O)=O 49110271 HZFCYBLDOJMSFO-ZDUSSCGKSA-N 381.885 2.513 0 1 GFAF O=C(O)Cn1cc([C@H]2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc21 49036795 LBQZVZRQCGSEKP-KRWDZBQOSA-N 376.821 2.761 0 1 GFAF O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(O)cc2)CC1 82158109 LRYQHSPMWMSTPT-UHFFFAOYSA-N 380.510 2.632 0 1 GFAF CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@@H]1CC(=O)N1CCC(O)CC1 25434110 WLWLZVFWPODUFR-LSDHHAIUSA-N 393.915 2.597 0 1 GFAF biogenic COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@@H]2CO 95878766 OWZWTDQWRCAHMI-WEYGHZABSA-N 384.451 2.839 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cn1 587863742 SMAMNEWHBGWCCF-UHFFFAOYSA-N 398.366 2.609 0 1 GFAF Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(N)=O 587578564 RHBSSCLSWFUTAK-UTKZUKDTSA-N 378.384 2.707 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@]1(CS(=O)(=O)O)C3(C)C)O2 587410624 TYPPJFXTOXLUAP-QQGDVQBRSA-N 379.478 2.995 0 1 GFAF O=C(CCc1nc2ccc(C(=O)O)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024318 UYIVVEOYXOQWES-UHFFFAOYSA-N 394.416 2.746 0 1 GFAF CN1CCN(Cc2cn(S(=O)(=O)c3cccc(F)c3)c3ccccc23)CC1 1772572333 UWDDCDBNGCLTCT-UHFFFAOYSA-N 387.480 2.765 0 1 GFAF CCn1c2c(c(=O)n(Cc3ccccc3F)c1=O)CN(Cc1ccccc1)CC2 1857576010 ODCWITPOOPFHNN-UHFFFAOYSA-N 393.462 2.776 0 1 GFAF CN1CCN(c2ccc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)cn2)CC1 1857585830 JZWJSJJCRBGBLJ-UHFFFAOYSA-N 386.459 2.916 0 1 GFAF CCN(CC)CCNC(=O)c1cc2cccnc2n(CCc2ccccc2)c1=O 1857611590 AVEIYXYJRJZJCL-UHFFFAOYSA-N 392.503 2.711 0 1 GFAF CCCCN=c1[nH]c(=N)[nH]c2cccc(OCc3nccc(OC)c3OC)c12 1857763875 GCJNNJZLCNTFBD-UHFFFAOYSA-N 383.452 2.667 0 1 GFAF CO[C@@H]1C[C@]2(C(=O)Nc3cc(O)ccc32)[C@H](c2c[nH]c3ccccc23)[C@@H](CO)O1 2356396585 PACWVIDGUPOUPQ-XAPVIXHLSA-N 394.427 2.601 0 1 GFAF CO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1OC 103529632 SMJUFMHKHPKRMF-OWRWYXLESA-N 380.202 2.556 0 1 GFAF CO[C@@H]1CC(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@H](O)CC=C(C)C)[C@@H]1O 2356407219 SOFBPMULDJOALM-ZXJQZYQJSA-N 376.449 2.783 0 1 GFAF COCCNCCc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1 115626121 GEGNVVXDJGGRMA-UHFFFAOYSA-N 395.507 2.594 0 1 GFAF COc1cc(C=CC(=O)O)cc(-c2c(C=CC(=O)O)ccc(O)c2OC)c1O 2356568669 OISWGZDHASMXDL-UHFFFAOYSA-N 386.356 2.978 0 1 GFAF CC[C@H]1[C@@H]2[C@@H]3CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N3CCC[C@H]2O[C@@]12C=C(C)C(=O)O2 35282433 UINUUSQOLRQGNF-SKJOTPDKSA-N 389.492 2.805 0 1 GFAF CCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc(C)c1 82145214 WZQHWCGFZWONPU-UHFFFAOYSA-N 395.507 2.650 0 1 GFAF CC(C)NC[C@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O 49034994 ZLLRZVQIIORCDV-QGZVFWFLSA-N 375.494 2.639 0 1 GFAF CN(c1ncc(C#N)cc1Br)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 149041502 GGYZGDHKIMHUOW-GFCCVEGCSA-N 398.268 2.702 0 1 GFAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(O)c(OC)c1 98085751 XFDGIORGEGQOTR-LNENJAERSA-N 394.427 2.796 0 1 GFAF O=C(O)c1ccnc(-c2cn([C@H]3CCCN(C(=O)c4ccccc4)C3)nn2)c1 473134042 BFLBQNQXHXJNHU-INIZCTEOSA-N 377.404 2.516 0 1 GFAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3c(O)ncnc3[nH]2)c1 587156452 OGTKHKRPDFVAQP-UHFFFAOYSA-N 385.380 2.665 0 1 GFAF COc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cn1 587181825 FGLVEZSYTIXCOF-QMMMGPOBSA-N 383.193 2.685 0 1 GFAF O=S(=O)(NCc1nc2cc(F)c(F)cc2[nH]1)c1ccc(F)c(F)c1F 587134072 KORDANPRQSMEFY-UHFFFAOYSA-N 377.294 2.737 0 1 GFAF COCCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc([C@@H](C)O)c12 1772599833 OOQDVUXMJLCZMQ-CHWSQXEVSA-N 399.451 2.919 0 1 GFAF CC(=O)N[C@H](C)c1ccc(OC2CN(c3ncc(Br)cn3)C2)cc1 169694399 CBKNHQRILNEGAA-LLVKDONJSA-N 391.269 2.704 0 1 GFAF Cc1nc(C2CCOCC2)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12 169711693 KXJOTTLKOPRNAK-UHFFFAOYSA-N 391.479 2.557 0 1 GFAF O=C(Nc1ccc(C(=O)N2CCC[C@]23CCNC3)cc1)N1Cc2ccncc2C1 167869883 AQFPZJMRDAUYFT-JOCHJYFZSA-N 391.475 2.597 0 1 GFAF CN(C)CCNC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1 1857557578 ZUNFPBNHELLPPP-UHFFFAOYSA-N 382.386 2.643 0 1 GFAF O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NC[C@H]1CCCO1 3063305 MPPQEMLEOIQCNA-CQSZACIVSA-N 386.879 2.953 0 3 GFAF CC(=O)N1CCCN(C(=O)c2c(-c3ccc(Cl)cc3)noc2[C@@H](C)O)CC1 2356303341 QZZZEHZKZOUNIZ-GFCCVEGCSA-N 391.855 2.743 0 1 GFAF Cc1c(C(=O)N[C@H]2C[C@@H]2N)sc2ncnc(Nc3cccnc3OC(C)C)c12 118821200 LMZVXFZAWBFAMO-AAEUAGOBSA-N 398.492 2.755 0 1 GFAF C[C@@]1(c2cccc(NC(=O)c3ccc(Br)cn3)c2)COCC(N)=N1 113657297 HALWMQVNBCAXRZ-KRWDZBQOSA-N 389.253 2.699 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3[C@@](C)(O)[C@H]12 2356468217 UQVRSNOOFJMHDB-SYNBLJDVSA-N 382.460 2.540 0 1 GFAF O=C1CCN(C(=O)c2cc(Cc3nnc(O)c4ccccc34)ccc2F)CC1 1911580073 DHWRSCDEZHJNAF-UHFFFAOYSA-N 379.391 2.870 0 1 GFAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]nnc4c3)CC1)O2 49068011 HCPRJOJWNSYFOP-UHFFFAOYSA-N 392.415 2.607 0 1 GFAF CC(C)(O)c1nc(-c2cc(F)cc3[nH]ccc23)nc2c1OC[C@@H]1COCCN21 221366000 YZDHQXUAXYNXQS-LBPRGKRZSA-N 384.411 2.589 0 1 GFAF COc1cc(N2CCOCC2)cc2c1nnc1c(C)nc(-c3ccncc3C)n12 84713005 LZYLOUZRUVTOJN-UHFFFAOYSA-N 390.447 2.802 0 1 GFAF CC1(C)Oc2ccc(-c3ccc4c(c3)OCO4)cc2[C@@]2(COC(N)=N2)C12COC2 149225882 WDLWOGRZCRSSNH-QFIPXVFZSA-N 394.427 2.810 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)C12CN(C(=O)C1CC1)C2 95794574 LNSNZMRCRLNWNI-NHCUHLMSSA-N 380.488 2.552 0 1 GFAF Cn1cc(-c2cc(CC(N)=O)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144915943 FRXAARMCPIPDFK-LJQANCHMSA-N 387.361 2.894 0 1 GFAF O=C(c1ccccn1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO 95878649 RJOUIUOITMHMDJ-ZLIFDBKOSA-N 388.265 2.834 0 1 GFAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@H]3[C@H]5[C@@H]4[C@H]31)N2Cc1cccc(I)c1 261083117 CAYMCWKKHULDBH-UHJYPXPSSA-N 391.252 2.552 0 1 GFAF NC(=O)c1ccccc1-c1cnc2c3n[nH]cc3c(=O)n(CC(F)(F)F)c2c1 473130938 MYPUPDPYJZYCLA-UHFFFAOYSA-N 387.321 2.601 0 1 GFAF O=C(C[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccccc1O 473128591 CLIGYCULBWBZAM-QHCPKHFHSA-N 384.391 2.914 0 1 GFAF CC(C)c1nc(C(=O)NC2[C@H]3CN(CC4CCOCC4)C[C@H]23)c2ccccn12 653780371 IZYUXJNZOBEOMC-IRXDYDNUSA-N 382.508 2.544 0 1 GFAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ccnc2[nH]1 586938804 RHRMBSVTIHOCCX-ZDUSSCGKSA-N 379.873 2.869 0 1 GFAF COC(=O)CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583816 VDOYZSQTVKXNEA-LJQANCHMSA-N 397.427 2.752 0 1 GFAF COC(=O)c1cc2nc(-c3c[nH]c(=N)nc3O)[nH]c2c(F)c1Nc1ccccc1 587253358 JBHKEVJBPGDVDL-UHFFFAOYSA-N 394.366 2.807 0 1 GFAF COc1cc(OC)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 587127392 SFYDPUUYDOBJFV-UHFFFAOYSA-N 387.339 2.936 0 1 GFAF CN(C)S(=O)(=O)c1ccc(OCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 586932228 WMFIKJWZDPRYKN-UHFFFAOYSA-N 384.820 2.580 0 1 GFAF COc1ccc2c(c1OC)[C@]1(CCC[C@H]1CO)N(C(=O)c1ccccc1N)CC2 963156210 OYGLUDMFZACZEH-QMHKHESXSA-N 396.487 2.972 0 1 GFAF c1nc(N[C@H]2CC[C@@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 1772584280 DJVYXMINSBMUHH-CALCHBBNSA-N 385.512 2.907 0 1 GFAF COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4=C(C)OCCO4)C3)C2)c1 12478317 DAGDBAMYTUJPJS-JOCHJYFZSA-N 386.492 2.788 0 1 GFAF COc1ccccc1N1CCN(CCCOc2ccccc2C(=O)N(C)C)CC1 13764507 QRDKICDWEPUWTK-UHFFFAOYSA-N 397.519 2.988 0 1 GFAF CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCOCC1=O 13862039 SOSDZLZCZHXALY-GJZGRUSLSA-N 388.489 2.520 0 1 GFAF COc1ccc2[nH]c(C)c(C(=O)CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2c1 16042261 IJXXOEAHBKEJRV-CVEARBPZSA-N 391.471 2.949 0 1 GFAF biogenic CC1=Nc2nc(-c3cccc(C)c3)nn2[C@@H](c2ccc3c(c2)OCO3)[C@@H]1C(N)=O 169690271 XPFCXFQBKFREGZ-MSOLQXFVSA-N 389.415 2.779 0 1 GFAF CN(C(=O)CCSc1nc2cc(Cl)ccc2o1)[C@@H]1CCS(=O)(=O)C1 1857565806 HXVPZRLYHCCMHL-LLVKDONJSA-N 388.898 2.609 0 1 GFAF O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCN(Cc2ccccc2)CC1 2461787 XYZOUQOFNGYCAT-UHFFFAOYSA-N 377.444 2.753 0 1 GFAF CCCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(C)cc2)n(CCC)c1=O 28873983 XDTHSMBYAIAXOX-UHFFFAOYSA-N 395.507 2.898 0 1 GFAF CC(=O)O[C@@H]1C(=O)C2=C3OC(=O)C4=C3[C@](C)(CC[C@@H]4O)CC[C@]2(C)[C@H]1C(C)C 35032336 QCQNZSFRYFQBAE-JHKUXAKASA-N 388.460 2.842 0 1 GFAF biogenic O=C(Nc1ccc2ccccc2c1)[C@@H](n1nnc2ccccc21)P(=O)(O)O 40576869 RXQJDCASVKNUIG-SFHVURJKSA-N 382.316 2.900 0 1 GFAF CCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C)cc1 49068571 XHNAUJZGEIMAMV-UHFFFAOYSA-N 392.459 2.739 0 1 GFAF C[C@@H](Oc1nccc2c1C(c1ccnc(N3CCOCC3)c1)=NC2)C(F)(F)F 96176059 QAKZPPHVBYVPBA-GFCCVEGCSA-N 392.381 2.994 0 1 GFAF NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(NC(CO)CO)n1 114593187 WIUODOVDYLDJRL-UHFFFAOYSA-N 397.406 2.544 0 1 GFAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCC3CC3)c2c1=O 115624120 HQDVFTWGNIVWCY-UHFFFAOYSA-N 391.475 2.654 0 1 GFAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CC(F)C1 149353708 QMSVONDGHJMRDR-UYSNPLJNSA-N 390.480 2.918 0 1 GFAF N#Cc1cc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)ccn1 225566300 UETXNVRYYQRTNS-UHFFFAOYSA-N 383.415 2.790 0 1 GFAF COc1cc(O)c2c(c1Cl)CC(=O)C=CC=C[C@H]1O[C@@H]1C[C@@H](C)OC2=O 299807073 QTGJWGBEDKNQAI-VCTAVGKDSA-N 378.808 2.995 0 1 GFAF N[C@H](CCc1ccc(CO)cc1)[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 299836147 MRXHFZNHXQEPNB-MOPGFXCFSA-N 391.404 2.610 0 1 GFAF C=Cc1c(C)nn(C[C@H](C)CN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 473117984 JKGAALSRNCXJLU-QGZVFWFLSA-N 381.524 2.544 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)ncnc3[nH]2)C[C@H]2CCCC[C@@H]21 586957772 DZOFBAMIRVZGNQ-SNPRPXQTSA-N 399.476 2.753 0 1 GFAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc(F)cnc3OC)nc2c1 587176423 SYURWYHIUGIRQT-UHFFFAOYSA-N 378.429 2.851 0 1 GFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587225362 QDIQIEYGSQFJCG-JTQLQIEISA-N 375.331 2.968 0 1 GFAF Nc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1C(=O)O 587248852 XVPGUTYHJHILAO-UHFFFAOYSA-N 376.376 2.570 0 1 GFAF COCCOc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)OCO2 587449257 AQOGAKHHSWQXTP-SZNDQCEHSA-N 384.384 2.938 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2S(C)(=O)=O)N1 587838983 FKOQGOVXWRPABN-RFAUZJTJSA-N 387.274 2.821 0 1 GFAF Cc1ccc2oc(N)c([C@H]3NCCc4ccc(C(=O)N(C)C)cc43)c(=O)c2c1 962920385 FEQGXTGLXDCBQH-IBGZPJMESA-N 377.444 2.621 0 1 GFAF CNC(=C[C@]1(c2cccnc2)c2cccc(Br)c2CCN1C)NC 963289429 MSSSXHOBSXGPFV-IBGZPJMESA-N 387.325 2.856 0 1 GFAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(F)cc2s1 1772575457 WNKDNYAYOCWMPW-AWEZNQCLSA-N 390.440 2.630 0 1 GFAF COc1cc([C@H]2C(=O)NC(=O)N2c2ccc3[nH]ccc3c2)cc(OC)c1OC 1857645376 XCHXISMFEOSPDV-KRWDZBQOSA-N 381.388 2.991 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C(=O)[C@H](C)[C@@]23CC[C@]2(C=COC2)O3)C1(C)C 2356399180 PHNDFJBMMYOJPB-OVXFKLEKSA-N 392.492 2.772 0 1 GFAF CN(Cc1ccco1)C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O 6802399 HHVQEQYXUWOEAC-UHFFFAOYSA-N 388.427 2.634 0 1 GFAF CCN1C(=O)c2cc(OC)c(OC)cc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 13652369 SLWVIRKNNDWGBX-RTBURBONSA-N 381.384 2.929 0 1 GFAF CC(C)COP(=O)(COCCn1cnc2c(N)ncnc21)OCC(C)C 29486046 LUSWHIHBCMIWTC-UHFFFAOYSA-N 385.405 2.921 0 1 GFAF O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCC(c2nc(-c3cnccn3)no2)CC1 43021403 RUMNCJSUPKAMTM-IRXDYDNUSA-N 390.447 2.972 0 1 GFAF COC(=O)[C@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C 82082612 SUVZJIALMPDRST-OAHLLOKOSA-N 378.450 2.755 0 1 GFAF CC(C)C(=O)O[C@@H]1c2c(cc(O)c3c2C(=O)c2cccc(O)c2-3)C(=O)[C@H](C)[C@H]1O 95557132 ZWZDPCODGBCKJZ-VRPSQQPASA-N 396.395 2.743 0 1 GFAF O=C(C1CCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 95794744 MUVVKOMLIFNIHE-DLBZAZTESA-N 382.426 2.780 0 1 GFAF C[C@]1(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)COCC(N)=N1 113660658 VZIVJCUBWLYNSB-QGZVFWFLSA-N 378.354 2.955 0 1 GFAF CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(O)cc32)c1C 205111460 YBNMTJYLJWAMGJ-ATVHPVEESA-N 396.491 2.901 0 1 GFAF C/C=C(/O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O)C(=O)O 238779775 IBSXOQJJZICENO-HWJVKUOTSA-N 388.372 2.942 0 1 GFAF CCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 253636831 BPECEJDPRFPPQD-POCMPKHNSA-N 395.499 2.919 0 1 GFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 586926270 NFZRHUVHQNUKDV-UHFFFAOYSA-N 386.429 2.553 0 1 GFAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(O)c2[nH]1 586937240 LKLQBMKQXVDQHI-CYBMUJFWSA-N 380.857 2.993 0 1 GFAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(F)cc3[nH]2)c1 587231121 LYHLXVIGFSFYAV-UHFFFAOYSA-N 384.411 2.650 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)O)O2 587393153 GIFZJHIPYGFZLF-VGSWGCGISA-N 380.444 2.888 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@@]1(CS(=O)(=O)O)C3(C)C)O2 587410622 TYPPJFXTOXLUAP-GESALYCCSA-N 379.478 2.995 0 1 GFAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1 587785834 PCGNHYGQWZMCLD-CABCVRRESA-N 399.472 2.757 0 1 GFAF Nc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccc(Cl)cc1 653667425 JCYBHXHVXCPYBX-UHFFFAOYSA-N 377.795 2.864 0 1 GFAF COc1cc2c(cc1OC)[C@H](c1nc(Br)cnc1N)N(C)[C@@H](C)C2 962620011 ICODQGWXEDMQOM-XXFAHNHDSA-N 393.285 2.804 0 1 GFAF CCOc1cccc([C@@H]2c3ccsc3CCN2C(N)=O)c1OCC(=O)O 962721123 YXQDXVYIGRWDCD-INIZCTEOSA-N 376.434 2.636 0 1 GFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NC2Cc3ccccc3C2)nc1 1772597514 PXESPPNGLPXZKA-UHFFFAOYSA-N 397.504 2.812 0 1 GFAF NCc1cc(Oc2cccc(C(=O)N[C@H]3CCC[C@H]3O)c2)nc(C(F)(F)F)c1 1857586087 PJNDLVDONAGUTF-LSDHHAIUSA-N 395.381 2.995 0 1 GFAF N=C1NCCN1CCCC[C@H]1CNC(=N)N1CCC12CC3CC(CC(C3)C1)C2 1857752352 BFDKIEWVZIPTRC-ONUXSRJRSA-N 386.588 2.812 0 1 GFAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H]2[C@H](CC[C@@]2(O)C(C)C)[C@H](C)C=C(CO)C1 2356415510 NLMJLXOEAUQIAO-MNHZQJCVSA-N 380.525 2.987 0 1 GFAF COc1ccc2c(c1)C(=O)N1CCC[C@@H]1c1nc3ccc(OC)cc3c(=O)n1-2 2356545742 YIUZDKJFCJRTGY-GOSISDBHSA-N 377.400 2.694 0 1 GFAF COC(=O)C1=C[C@H]2C[C@H]3[C@@]14CC[C@@]1(O[C@H]4O2)C(=O)O[C@H](c2ccoc2)C[C@@]31C 2356725620 RGDBZDOPISKAIW-UQJHUBPMSA-N 386.400 2.667 0 1 GFAF Cc1nc2nc(C)c(CCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(C)n2n1 4034709 DCHOEXLGONGDIV-GFCCVEGCSA-N 395.463 2.631 0 3 GFAF O=C([C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1)N1CCSC1 13737611 ASOHNXJUFBVMFY-YOEHRIQHSA-N 376.547 2.616 0 1 GFAF CCCN(CCC)C(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n12 21537142 ULPPUBUDCMBIEL-UHFFFAOYSA-N 385.493 2.825 0 1 GFAF CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)CC[C@@]3(C[C@@H]2C(C)(C)O)[C@H]1C5 29242622 HAVHKPLHNCEBIW-VWUQPSBSSA-N 399.531 2.998 0 1 GFAF Cc1ccc(Cn2c(NCCO)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29390760 HYUBJYDITSEAMS-UHFFFAOYSA-N 394.401 2.672 0 1 GFAF Nc1nc(N)c2cc(S(=O)(=O)N3CCCC[C@H]3Cc3ccccc3)ccc2n1 29464427 MZXCGHXTJWOJFU-HNNXBMFYSA-N 397.504 2.580 0 1 GFAF CO[C@@H]1O[C@H]2[C@H](COC(C)(C)C)C[C@H](n3cnc4c(Cl)ncnc43)[C@H]2O1 39179892 UHUHNLYERYEXBU-XDRYEDQOSA-N 382.848 2.570 0 1 GFAF CCOC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1 40421522 JRLMIOJTUNIVRD-UHFFFAOYSA-N 385.445 2.672 0 1 GFAF COc1cc(OC)cc(C(=O)Nc2n[nH]c3ncc(Br)cc23)c1 53293335 BCSGZOXPTIEKRH-UHFFFAOYSA-N 377.198 2.990 0 1 GFAF NC(=O)c1cn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)nc1C(N)=O 66259638 WDCIJCXKWDLRCH-UHFFFAOYSA-N 390.321 2.636 0 1 GFAF CC(=O)NCCn1c(C2CC2)nc2c(NCCCc3ccccc3)ncnc21 82181827 OFIXUDXRIAQOHL-UHFFFAOYSA-N 378.480 2.885 0 1 GFAF NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 84654945 GFTIIZOQGNWJOS-UHFFFAOYSA-N 386.227 2.675 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@@H]21 95894046 ZLBPYPDXAFKISJ-IPMKNSEASA-N 387.386 2.692 0 1 GFAF COC[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2c(C)cccn2n1 117874090 BUARRGHWOOQEGD-OAHLLOKOSA-N 397.504 2.755 0 1 GFAF CC(C)C[C@@H]1Oc2ccc(-c3cncnc3)cc2[C@@]2(COC(N)=N2)C12COC2 220716428 QQPOTGIGKATGCB-RXVVDRJESA-N 380.448 2.508 0 1 GFAF CO[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@H]3C5 253803513 DRJFACWZQYBMLO-IVQNXYROSA-N 383.488 2.647 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O 587447776 FQFHNPQCTSHELD-KPZWWZAWSA-N 393.848 2.659 0 1 GFAF Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cnn1C 587648814 HXXOJJYXZDVESP-UHFFFAOYSA-N 385.367 2.863 0 1 GFAF O=C(O)[C@H]1C(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C(=O)O 587970903 OFFTZLRNHXEUHB-YUMQZZPRSA-N 393.115 2.843 0 1 GFAF COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccncc2)CC1 653724813 ZNYRBISOQWRKBE-UHFFFAOYSA-N 387.447 2.546 0 1 GFAF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)C(=O)Nc2cc(Cl)cc(Cl)c21 963548594 HNGVRGOBISNRFY-SGTLLEGYSA-N 393.226 2.802 0 1 GFAF O[C@@H](CN[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)c1ccccc1 1772606219 RJVYQTHPYZENAN-BQFCYCMXSA-N 376.464 2.955 0 1 GFAF O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1C[C@@H]2C[C@H]1CS2 1772641446 ZSYRDKCJWAWTBE-STQMWFEESA-N 381.448 2.656 0 1 GFAF CCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(CCc1ccccc1)CC2 1857551735 HVFHWXMCWYEJMY-UHFFFAOYSA-N 389.499 2.679 0 1 GFAF C[C@H]1CN(C)c2ccccc2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 1857767867 QFZWIGXQDJRMES-HNNXBMFYSA-N 385.489 2.847 0 1 GFAF CC=C1CN2[C@@H](OC)C[C@@]34C(=Nc5c(OC)cc(OC)cc53)[C@H]2C[C@H]1[C@@H]4C(=O)O 2356494933 XYBVYJHXXUTYAN-GFABPKLPSA-N 398.459 2.755 0 1 GFAF Cc1cccc(SCc2noc(C(=O)NC[C@H]3CCCO3)c2C(=O)O)c1 8672410 XNPUMPIJCRSEOB-GFCCVEGCSA-N 376.434 2.882 0 3 GFAF COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)cc1OC 11773609 DUMAMNSFLZSVHE-MRXNPFEDSA-N 383.448 2.846 0 3 GFAF CCOC(=O)[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)NC(C)C 12859579 QOIQZYGDBSSSQD-HZSPNIEDSA-N 386.370 2.594 0 1 GFAF O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccccn1 13589866 DCKXFOOXJHHURJ-LJQANCHMSA-N 389.411 2.760 0 1 GFAF OCC(CO)N1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28016829 FPMPUNRITMVLEJ-RBBKRZOGSA-N 388.458 2.512 0 1 GFAF CCN(CC)CC[C@H]1CN(C(=O)COc2ccccc2)CC[C@H]1CC(=O)O 30879429 MQHUDIXXEICHEC-ROUUACIJSA-N 376.497 2.737 0 1 GFAF biogenic COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[C@@H]1SC(=N)NC1=O 45245709 OJAVDLQVOWZPEG-LBPRGKRZSA-N 389.458 2.697 0 1 GFAF O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(O)(Cc2ccccc2)CC1 58581781 RNBXOLGDQLYGDG-UHFFFAOYSA-N 393.531 2.890 0 1 GFAF CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 58592661 FKHHNYBABVOFCO-INIZCTEOSA-N 381.542 2.820 0 1 GFAF NCCC(=O)Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c12 66112729 OWHIEVZLTSBQQK-UHFFFAOYSA-N 394.456 2.836 0 1 GFAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OC[C@@H]3CCCN3C)co2)cc1 82073417 LOWZKAPBRKLCLE-HKUYNNGSSA-N 397.475 2.892 0 1 GFAF OCc1ccc2nc(-c3c(F)ccc4[nH]ccc34)nc(N3CCOCC3)c2n1 95578910 GILXWCHQBOQUSV-UHFFFAOYSA-N 379.395 2.641 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 95869636 BEFCMBFVMVBGFU-YMSWWEJRSA-N 394.446 2.670 0 1 GFAF O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1Cl 169299176 WGFHSIVDHDSQFC-SQGLOQMVSA-N 377.227 2.691 0 1 GFAF COc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)cc1 169345915 KORXTZSQLAAUIS-RUDMXATFSA-N 392.455 2.628 0 1 GFAF CN1C[C@@H](c2c[nH]cn2)[C@H]([C@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 238754421 KRIWASATEVGMCG-DFQSSKMNSA-N 375.428 2.971 0 1 GFAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@H]3[C@H]5[C@@H]4[C@H]31)N2Cc1ccc(I)cc1 261134121 LTAWJWNPMAZAIW-UHJYPXPSSA-N 391.252 2.552 0 1 GFAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(Cl)c4[nH]3)c2N)C1 586955312 OYNAGRWWPLLADT-UHFFFAOYSA-N 376.869 2.783 0 1 GFAF COc1cc(-c2nc3cc(I)cnc3[nH]2)cc(OC)c1O 587785618 OFJMKKYQXKJSFR-UHFFFAOYSA-N 397.172 2.952 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CC2OCCO2)(c2cccc(F)c2)N1 962897391 CRQJDQJXGBREOW-FXAWDEMLSA-N 375.371 2.570 0 1 GFAF COc1ccc(OC)c(CNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1 1857630331 PEZBWHIFNGLSEJ-UHFFFAOYSA-N 384.841 2.545 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1[C@H](O)C2=CC[C@@H]1[C@](C)(CO)CCC[C@]13C 2356739311 QFBYYXGJRJFYQU-WRDRWKBOSA-N 378.509 2.577 0 1 GFAF CC(C)OCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCC1)S2 3008035 PTYBYWVERSBPCC-IBGZPJMESA-N 377.510 2.698 0 1 GFAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1cc(=O)n2ccccc2n1 6917789 JYMDDWBCHXLJON-UHFFFAOYSA-N 397.438 2.767 0 1 GFAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@@H](C)C(=O)NCc1ccccc1 8605336 VFGGAVGVFIGOCI-LBPRGKRZSA-N 392.381 2.940 0 1 GFAF CC(C)S(=O)(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185551 JMOSVQOAEPCCNI-SFHVURJKSA-N 394.928 2.575 0 1 GFAF CCOC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 32139438 JVAXPPZEBXHMED-FDYHWXHSSA-N 381.643 2.652 0 1 GFAF COc1cc(C(=O)c2sc(N3CCCCC3)nc2N)cc(OC)c1OC 73141847 JPVFGFZUCQJSKM-UHFFFAOYSA-N 377.466 2.972 0 1 GFAF N[C@H]1C[n+]2c([nH]c3cnc(C(F)(F)F)cc32)C[C@@H]1c1cc(F)c(F)cc1F 139746789 RWQWPDCRHHZWFL-PELKAZGASA-O 387.307 2.954 0 1 GFAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccc(O)cc1 199214970 XHQCTPYIYNBDDW-OAQYLSRUSA-N 377.448 2.507 0 3 GFAF Cc1ccc(S(=O)(=O)NC(=O)C(=O)c2c3c(cc4c2CCC4)CCC3)cc1 1911582499 CXQMGZMMPPKKJL-UHFFFAOYSA-N 383.469 2.660 0 1 GFAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4C[C@@H]5CC[C@H](C4)O5)ncn3)c2c1 225575065 DGBBTRCNMFXNQE-CWRNSKLLSA-N 395.463 2.801 0 1 GFAF O=S(=O)(NC[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)c1ccccc1 95895568 YFBQRLSNPCBTOS-BHDDXSALSA-N 398.528 2.649 0 1 GFAF COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(C)C 95895495 NVFCAYMPVCEKMK-FUDKSRODSA-N 382.504 2.653 0 1 GFAF Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnc2cnc(N3CCCC3)nc12 148221782 FXUBFKVPOJZFBP-UHFFFAOYSA-N 389.463 2.964 0 1 GFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(CCO)cc2[nH]1 587203015 MLHRMSLKAOLQMJ-KRWDZBQOSA-N 383.404 2.540 0 1 GFAF CC1=C[C@@]2(CC(=O)N1CC(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 587756699 DZVWSNGSZAMDLN-XYZCENFISA-N 397.244 2.538 0 1 GFAF COC(OC)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573853 USCOBWAGTJRPEW-MRUCBWFUSA-N 385.416 2.787 0 1 GFAF COC(=O)[C@]1(C)COCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587836365 TUUGUDMWNWRYPU-GPNNCHTKSA-N 386.261 2.917 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445403 YQXXBRXCROIPQX-ZHRRBRCNSA-N 380.396 2.779 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(SCC(=O)O)ccc21 587409180 KRGDUFYIQILJNI-LJQANCHMSA-N 384.413 2.567 0 1 GFAF COC(=O)CCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587766761 HNWBRAPAVUQHHU-LBPRGKRZSA-N 399.304 2.977 0 1 GFAF CCOC(=O)[C@@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571448 KVBKAEGPUDPYQA-MRUCBWFUSA-N 383.400 2.731 0 1 GFAF COc1ccc(Cl)c2c1CCN[C@@]21c2cccnc2S[C@@]12CCOC2=O 963270661 QLHVCLNPMHFVOQ-MOPGFXCFSA-N 388.876 2.924 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1occc1C(=O)O 963132768 CHMDHVHKICCCSN-QWRGUYRKSA-N 394.405 2.770 0 1 GFAF C[C@H]1C[C@H](C)CN(CCCNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)C1 5004245 MFQZNXAZFXEUSJ-HOTGVXAUSA-N 396.491 2.627 0 3 GFAF aggregator Nc1ncc(-c2ccc(S(N)(=O)=O)cc2)cc1-c1cc(F)c(O)c(F)c1 1857566773 MTBXQYCZMOAADV-UHFFFAOYSA-N 377.372 2.629 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC[C@H]3CCCO3)c(C)c2c1 2459874 OSCCRERSZLDAEI-CQSZACIVSA-N 394.493 2.681 0 1 GFAF CCOCCCN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 11967878 TYMKPYGHXIQZGU-HNNXBMFYSA-N 382.888 2.966 0 1 GFAF CO[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)C(=O)O 13741334 HWUUDUPOJSYHQD-RTBURBONSA-N 399.443 2.593 0 1 GFAF N[C@H]1CN(c2cc(N3CCCC3)ncn2)CC[C@@H]1c1cc(F)c(F)cc1F 14958833 BDCLWTLCIGPXMA-PXAZEXFGSA-N 377.414 2.815 0 1 GFAF COc1cc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc(OC)c1OC 40879877 HSPREQRCDYYFIB-UHFFFAOYSA-N 395.419 2.619 0 1 GFAF CNc1ccc2c(c1)OC(C)(C)C1=CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]12 72108624 ALXHEVBDTDYREX-IBGZPJMESA-N 390.443 2.543 0 1 GFAF O=c1[nH]c(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc2[nH]cnc12 72124976 WIASLCVAGCLOBE-UHFFFAOYSA-N 379.342 2.713 0 1 GFAF CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(CCO)[C@H]1c1ccccc1 84712729 LILMSNVYMZOZSA-FQEVSTJZSA-N 380.444 2.800 0 1 GFAF O=C(NC1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95797720 YIOYHPJYDXIXAV-RTWAWAEBSA-N 383.536 2.953 0 1 GFAF CC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C1CCCC1 95895237 PDWWKLBSTQAXPL-VABKMULXSA-N 379.504 2.956 0 1 GFAF C/C=C/c1ccc(-c2cccc(CO[C@]3(C(=O)O)C[C@@H](O)[C@H](O)[C@H](O)C3)c2)cc1 101042406 GYDUJLBJHHFYQC-TZUFBAHGSA-N 398.455 2.603 0 1 GFAF COC(=O)C1=C[C@@H]2C3=C(NCCCN)c4cc(Cl)ccc4N(C)C3=N[C@@H]2C=C1 103186510 YAZIZQJCEBXNHK-GOEBONIOSA-N 398.894 2.505 0 1 GFAF CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ccc(Cl)cc1 103277035 PRZGTDGPAKQWCZ-SFHVURJKSA-N 378.812 2.552 0 1 GFAF COc1ccc(-c2cc3ncccc3c(OCc3n[nH]c(=O)o3)n2)cc1OC 114020503 DDWVUVYDLRCFPR-UHFFFAOYSA-N 380.360 2.569 0 1 GFAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(C(C)(C)C)c4)nc3n21 117702085 IIDUHZAGWFEQBW-GFCCVEGCSA-N 380.452 2.935 0 1 GFAF CC(C)C[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 149291273 IPOLRKPSCVSOEO-PBHICJAKSA-N 381.270 2.813 0 1 GFAF Nc1ncnc2c(CN3C[C@@H](O)[C@@H](CSc4ccc(Cl)cc4)C3)c[nH]c12 150289933 MZZBHZOHYGEGEE-IUODEOHRSA-N 389.912 2.779 0 1 GFAF CN(C[C@H]1CCCO1)C(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166405331 PDISEOBURULYEV-GOSISDBHSA-N 380.448 2.880 0 1 GFAF COc1ccc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cn1 221611781 GTTGIRXESFDMBX-UHFFFAOYSA-N 391.406 2.868 0 1 GFAF Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3ccccn3)c(=O)n(C)n2)n1 221925541 CDRHDPSTVAMIDA-WBVHZDCISA-N 377.448 2.673 0 1 GFAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CN3CCCC3)c2F)cn1 224554759 OSFXOWAGRCEHBU-HNNXBMFYSA-N 386.471 2.968 0 1 GFAF CC1=CC(=O)O[C@@H](C[C@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)C=CCC1 253671326 JDROCHDFKUSVDQ-XABWRGDLSA-N 397.537 2.938 0 1 GFAF Cc1noc(-c2cnn3c2[nH][n+](=O)c2ccc(OCc4ccccc4)cc23)n1 377845418 IGGQIDSTAVJGRM-UHFFFAOYSA-N 375.368 2.668 0 1 GFAF CCS(=O)(=O)NCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586941749 BBESAYUMNSYJSM-UHFFFAOYSA-N 385.795 2.987 0 1 GFAF CN(Cc1nc2ccnc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169771 KEPFEOJYYINFOE-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF COc1cc(-c2nc3c(Cl)ncnc3[nH]2)ccc1OCC(=O)NC(C)C 587218985 AQBQXJHMMAOVFY-UHFFFAOYSA-N 375.816 2.585 0 1 GFAF COc1cc2c3c(c1)O[C@](c1ccc(N4CCCCC4)cc1)(C(O)O)[C@@H](C2)C3=O 587441275 FLVHIIIYGNMORG-MBSDFSHPSA-N 395.455 2.639 0 1 GFAF C[C@]1(CC(=O)Nc2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575747 CXTOBACFUNWFFA-LAUBAEHRSA-N 391.383 2.931 0 1 GFAF CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)NCCc1c(C)ccnc12 963075201 RKSLIQMXMAUWNL-IERDGZPVSA-N 389.496 2.694 0 1 GFAF Cc1c(O)ccc2c1[C@](C)(C1CCN(CC(F)(F)F)CC1)N[C@H](C(=O)O)C2 963474847 XHGCFLHJMXVDAL-KSSFIOAISA-N 386.414 2.789 0 1 GFAF COc1cc(O)c(C(C)=O)c(O)c1Cc1c(OC)cc(O)c(C(C)=O)c1O 1857743718 DYPXCCWGGQIUPD-UHFFFAOYSA-N 376.361 2.522 0 1 GFAF CN(Cc1ccccc1)C(=O)C[C@@H]1[C@H](O)CC[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C 2356433056 VBUNZZDOPDHHED-SZAWYWIZSA-N 389.536 2.582 0 1 GFAF COc1ccc(CCNC(=O)C[C@@H]2SC(NCc3ccccc3)=NC2=O)cc1 8487462 IZCHYIHMXURFAT-SFHVURJKSA-N 397.500 2.532 0 3 GFAF CN1CCN(C(=O)[C@H]2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)CC1 13681810 VNXBDWUNAYPTRF-MLPUIEGLSA-N 398.547 2.609 0 1 GFAF Cn1cc(-c2cnc3c(Nc4cc(C5CCNCC5)ns4)nccn23)cn1 35967470 XLJHIFICPVNHJG-UHFFFAOYSA-N 380.481 2.797 0 1 GFAF Cc1c2c(=O)n(Cc3ccc(Cl)cc3)[nH]c2cc(=O)n1Cc1ccccn1 64447038 GYZYSAGRZKIZMW-UHFFFAOYSA-N 380.835 2.945 0 1 GFAF CCSc1ncc(C)c(C2=CN=C(C(=O)N[C@H](CO)c3ccccc3)C2)n1 89469349 GVNZIOMWWKZGEF-QGZVFWFLSA-N 382.489 2.932 0 1 GFAF O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cnccc2[nH]1 96282809 ZEYPBKIQZRZWQQ-UHFFFAOYSA-N 384.461 2.990 0 1 GFAF COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1 103248256 DMXDVUIEDDRTQM-UHFFFAOYSA-N 391.836 2.627 0 1 GFAF COCCCNc1cc(-n2nc(C)c3c2CC(C)(C)CC3=O)ccc1C(N)=O 115588835 UKFAPGAMHHPEBT-UHFFFAOYSA-N 384.480 2.883 0 1 GFAF COc1cc(O)c2c(c1OC)/C=C/CCC(=O)[C@@H](O)CCC[C@H](C)OC2=O 139121246 IXWZTCKQQIAFGC-HGSIUPGCSA-N 378.421 2.862 0 1 GFAF COC(=O)Nc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cn1 139648882 DDZKKKCFQJMFFH-UHFFFAOYSA-N 386.803 2.795 0 1 GFAF Cc1nc([C@@H]2CCCO2)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12 169711652 YAGFLAKLCGEZRM-INIZCTEOSA-N 377.452 2.514 0 1 GFAF COc1cc(OC)cc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)c1 473114069 IQBRSBAXIFISCZ-UHFFFAOYSA-N 375.816 2.714 0 1 GFAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586984227 OPLKOBVZFAVMTJ-GFCCVEGCSA-N 396.266 2.815 0 1 GFAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2nc(Br)c[nH]c-2n1 587175445 SKLKJYMCLGUFFF-SNVBAGLBSA-N 375.205 2.930 0 1 GFAF Cn1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587339920 GXTJFQHZGIPARG-FXAWDEMLSA-N 382.347 2.604 0 1 GFAF CCOC(=O)C[C@H](C(C)=O)[C@@]1(C)c2cc(OC)ccc2CCN1CCCOC 961326918 SKIWOTHMRANYHR-KNQAVFIVSA-N 391.508 2.963 0 1 GFAF CCC[C@@]1(CCc2ccccc2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963222007 OWPOPFUQNLARHX-SFYKDHMMSA-N 392.503 2.796 0 1 GFAF CN(C)CCNc1ccn2c(-c3cc[nH]c(=N)n3)c(-c3ccc(F)cc3)nc2c1 1857559981 WGDQDKQHVAUICW-UHFFFAOYSA-N 391.454 2.983 0 1 GFAF O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N(Cc1ccccc1)CC1CCC1 55042432 MYSKFNVIECILFL-NRFANRHFSA-N 395.503 2.799 0 3 GFAF COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4ccncc4)CC3)C2)cc1 3956219 MWISQAMLADFEOT-UHFFFAOYSA-N 380.448 2.860 0 1 GFAF O=C(/C=C\Sc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O 26941275 ZWLQEFDGJPXFFU-KHPPLWFESA-N 375.427 2.638 0 1 GFAF O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 28231056 XITOHDKZMIMMSB-INIZCTEOSA-N 387.885 2.979 0 1 GFAF NCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28344048 QIPSHGIBCKRHDJ-UHFFFAOYSA-N 377.429 2.586 0 1 GFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4CCN(C2=O)[C@@H]13 38858020 LTQINICYLGNLHN-IMDACWRGSA-N 382.460 2.790 0 1 GFAF Brc1ccc(-c2nc(CNCCCN3CCOCC3)co2)cc1 72184321 SLDVKOBVHSRIKD-UHFFFAOYSA-N 380.286 2.916 0 1 GFAF CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN(C)C 82082770 RVFYLBRCNVAMTF-INIZCTEOSA-N 390.509 2.746 0 1 GFAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95894856 PEQCJJQCTRUYBM-KCZVDYSFSA-N 382.504 2.845 0 1 GFAF Cc1ncoc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(C)(C)C)cc1 98208451 MHBMGYUTFNIVKQ-MSOLQXFVSA-N 399.491 2.664 0 1 GFAF in-vitro O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(-c2ccncc2)c1 217119318 CRKXZCMPAJDZJY-HSZRJFAPSA-N 387.483 2.898 0 1 GFAF CCCC[C@H](O)C1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@]3(O)C1 299810691 WBVBPFKXFKIIPB-XYCGUBGESA-N 385.504 2.567 0 1 GFAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 299825587 ZCBNOXHHXGWGMW-RWMBFGLXSA-N 384.436 2.598 0 1 GFAF O[C@H](CCN1CCN(C(=S)NCCc2ccccc2)CC1)c1ccccc1 473137609 YCIVWVOODWDTDV-OAQYLSRUSA-N 383.561 2.845 0 1 GFAF O=C1COc2cc3[nH]c(-c4cnn5cccc(Br)c45)nc3cc2N1 587006175 DXKVKVGCVLUVTC-UHFFFAOYSA-N 384.193 2.971 0 1 GFAF COC(=O)/C(=C/N(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574610 XWADELIEQPESBN-ZCDSGLSWSA-N 383.400 2.731 0 1 GFAF COC(=O)C(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591529 HCMCRYIRROOOGG-DYESRHJHSA-N 382.368 2.635 0 1 GFAF COc1ccc2[nH]c(C(=O)O)c([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2c1 963527715 QIYCSIHJTMZIKR-KBXCAEBGSA-N 396.399 2.577 0 1 GFAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)C(=O)Nc2cc(Cl)cc(Cl)c21 963548591 HNGVRGOBISNRFY-KPZWWZAWSA-N 393.226 2.802 0 1 GFAF NC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]1)c1ncc(CO)s1 1772575489 XORNCWUWOXZHCU-OAHLLOKOSA-N 376.869 2.714 0 1 GFAF COc1cc(N2CC(NC(=O)c3ccc4nnc(C)c(C)c4c3)C2)c(Cl)cn1 1857609580 PIAJWVKYPWXIEB-UHFFFAOYSA-N 397.866 2.922 0 1 GFAF O=C(NCCCC[C@@H](CO)NC(=O)c1ccccc1F)c1ccccc1F 2356848356 PEAVZWRDBHEMHS-AWEZNQCLSA-N 376.403 2.656 0 1 GFAF C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 8679997 SHIBSTMRCDJXLN-PXOHIOFNSA-N 390.520 2.575 0 3 GFAF in-vitro CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2CC[C@@H]1[C@](C)(CO)[C@@H](O)CC[C@]13C 2356326053 UDOUCXFBZBBUEB-NGEYSQDSSA-N 378.509 2.577 0 1 GFAF Cc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 3591465 GFGMHHHSHWSIIJ-UHFFFAOYSA-N 375.428 2.644 0 1 GFAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)NCc1ccc2c(c1)OCO2 104996290 BXQXDXJNUFKLBB-UHFFFAOYSA-N 393.428 2.595 0 1 GFAF O=C1OC(c2ccc(Cl)cc2)=N/C1=C\N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100542492 MPSSFGRDCKIQHY-NGIQAFILSA-N 395.846 2.766 0 1 GFAF CCCC(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 61896046 HETGSBPKIFSBDT-LJQANCHMSA-N 380.510 2.580 0 3 GFAF CC=C(C)C(=O)O[C@@H]1CC=C2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356429055 ILGDWQQRRLHSBQ-LLIABOKJSA-N 376.449 2.818 0 1 GFAF COc1cc(O)cc([C@@H]2OC[C@@H](C(=O)c3ccc(OC)c(OC)c3)[C@@H]2CO)c1 2356582509 KTIPQHCMSXAIBC-FVJLSDCUSA-N 388.416 2.597 0 1 GFAF Cc1ncc(Cc2nc(-c3nc(C(F)(F)F)n[nH]3)n3cccc(F)c23)cn1 73198052 PJHZRVIOQPMWLY-UHFFFAOYSA-N 377.305 2.967 0 1 GFAF C/C=C(\C)C(=O)O[C@@H]1CN(C)CC[C@@H]1c1c(O)cc(O)c2c(=O)cc(C)oc12 49018957 DSBBHVSUDLJUOE-ZKYNRCFLSA-N 387.432 2.810 0 1 GFAF NCCNC(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)cc1 45231088 VIDWZZINRCOUNU-UHFFFAOYSA-N 399.454 2.684 0 1 GFAF CN1C(=N)N[C@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)OCO3)C1=O 45245458 XEGBNTCEGJZIPQ-JOCHJYFZSA-N 386.411 2.717 0 1 GFAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCO[C@H](c5ccncn5)C4)c23)c1 224862244 MAXRJKNDOJGUOO-SFHVURJKSA-N 383.415 2.864 0 1 GFAF COc1ccc([C@@H]2NC(=O)C3=C(N2)N(c2ccccc2)C(=O)N2CCC[C@H]32)cc1 45259283 DECVRVFTPMBVQD-MJGOQNOKSA-N 390.443 2.729 0 1 GFAF NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)OCC[C@H]2CS1 145711669 NWARWEGTXXMRLX-XTZNXHDOSA-N 390.415 2.863 0 1 GFAF CN(C)[C@@H](C1=C(O)[C@H](c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1 95549434 MQHUSMJMGDZPKD-RBBKRZOGSA-N 393.487 2.807 0 1 GFAF NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccc3ccccc23)cc1 95587211 KSOJBPIIYODYPK-UHFFFAOYSA-N 379.441 2.832 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)C12CN(C(=O)NC(C)C)C2 95796523 MSODIOVDXIJOKS-RTWAWAEBSA-N 397.519 2.733 0 1 GFAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CCC1 95895561 HSESRDNFSLKVBL-VABKMULXSA-N 392.499 2.945 0 1 GFAF COc1cc2c3c(c1)O[C@@](Cc1cnn(-c4ccccc4)c1)(C(=O)O)[C@@H](C2)C3=O 587433395 XFKBZLSGILYWJC-HTAPYJJXSA-N 390.395 2.694 0 1 GFAF COc1cc(C)ccc1OCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587565114 WVBKQBRBBVCJTB-UHFFFAOYSA-N 375.450 2.709 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)C2CCOCC2)N1 587752600 DVBWRCWUKZZWHQ-HWPZZCPQSA-N 385.277 2.706 0 1 GFAF CCOC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]n1 587592878 IAWINVYQYDONOL-LPHOPBHVSA-N 380.356 2.995 0 1 GFAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cnccc3[nH]2)c1 586951636 SBPYZNYJCBDDQI-UHFFFAOYSA-N 393.266 2.828 0 1 GFAF N=c1[nH]c2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)nc-2c(Cl)[nH]1 587218267 HKBTXDDFPUOFAP-CYBMUJFWSA-N 378.823 2.890 0 1 GFAF Cc1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2n1 586945043 BWDVGOHFZRIOMM-CQSZACIVSA-N 386.477 2.699 0 1 GFAF CO[C@@H]1CN(Cc2ccccc2)CC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962927436 RBLZWGCOAWFGBV-ISKFKSNPSA-N 393.531 2.650 0 1 GFAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(S(=O)(=O)N(C)C)cc1 963614132 WFLPXSKIYQZJCY-RNODOKPDSA-N 390.505 2.578 0 1 GFAF CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 5070367 AMODCMJMLGQORR-LNLFQRSKSA-N 388.508 2.966 0 1 GFAF CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Br)N(C(N)=O)C(=O)N1 13820446 CUFVZMKVSMNLPY-ZDUSSCGKSA-N 396.241 2.820 0 1 GFAF CCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169363577 GILYTJDQDXXBEX-MCEDAWIOSA-N 381.472 2.616 0 1 GFAF CNC(=O)Nc1cc(Oc2cncc(C)c2)c(-c2ccc(OCCO)nc2)cn1 1857547647 YJSJVQSLHPYCCH-UHFFFAOYSA-N 395.419 2.762 0 1 GFAF Cc1ncc(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](CO)c4ccccc4)cc32)[nH]1 1857744313 CPLLVGAVDXMIQF-JZVSFUAJSA-N 388.427 2.674 0 1 GFAF CCOc1ccc(OCC)c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c1 3660523 SKNGPECBRQYJOJ-UHFFFAOYSA-N 397.431 2.894 0 3 GFAF Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3CC(N)=O)nc2n1 113420711 MZNLOGMCZYJZIJ-UHFFFAOYSA-N 392.488 2.987 0 1 GFAF COc1cccc2nc(C[C@@H]3CN(C4CCOCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356577712 NDMZDRRQMKQJPG-HUUCEWRRSA-N 387.480 2.706 0 1 GFAF COc1c2c(cc3c1OCO3)[C@H](c1cccc3c1OCO3)[C@H]1C(=O)OC[C@H]1C2 2356787134 UFEZQYFXESTBRQ-YKJXYISPSA-N 382.368 2.630 0 1 GFAF CC(=CC=C[C@H](C)CCCC(C)C)C(=O)NC(=N)NCCCCNC(=N)N 2356794095 HSTNRTWBUMDDSE-MRXNPFEDSA-N 378.565 2.855 0 1 GFAF O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CC(F)(F)C4)cc3)n2n1)C1CC1 1911573253 KEFMPRQEMHQDQO-UHFFFAOYSA-N 397.385 2.836 0 1 GFAF O=c1nc(N2CCCC2)[nH]c(N[C@H]2CCCNC2)c1-c1ccc2ccccc2n1 220576358 BCKQGDVVOACESK-INIZCTEOSA-N 390.491 2.749 0 1 GFAF CC[C@@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)Nc1cccc(O)c1 25427584 KVYVFBJIRIXGHX-CVEARBPZSA-N 375.469 2.521 0 1 GFAF biogenic CC/C=C/[C@]12[C@@H]3CCN1[C@@H]1C[C@H]2O[C@]32O/C(=C3/OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 238766470 XNUWGEPKIOWLHQ-HUOIRUNFSA-N 385.460 2.866 0 1 GFAF CCNC(=O)c1cc2c(c(-c3cccc(Br)c3)n1)[C@H](CCO)NC2 95668211 UMBDHWLSPKCZLF-AWEZNQCLSA-N 390.281 2.788 0 1 GFAF CC(=O)[C@H](C)N(CC(F)(F)F)C1=C[C@@H]2C(C(F)(F)F)=CC(=O)N[C@H]2C=C1 253674175 FZELBRBDZPJUMZ-KDDOJWQBSA-N 382.304 2.885 0 1 GFAF CCOC(=O)CNc1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1 587225783 UEXBNQWBQGQKCW-UHFFFAOYSA-N 393.491 2.957 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)N1 587789071 BQQHOLALLUAFJU-GXDOZVEJSA-N 395.316 2.935 0 1 GFAF CN(Cc1nc2ccc(Br)cc2[nH]1)S(=O)(=O)c1cccnc1 586929511 WZPVAAQCLSQXDL-UHFFFAOYSA-N 381.255 2.541 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)([C@H](C)/C=C/C(=O)O)N1 587825225 BQHRJWGVIZHDJK-YNVNSZPESA-N 386.217 2.679 0 1 GFAF COc1cccc2cc3c(nc12)[C@@]1(C=C(C)N(C[C@@H]2CCCO2)C(=O)C1)NCC3 963064014 FXNSWVZGTVZPJG-MBSDFSHPSA-N 393.487 2.900 0 1 GFAF Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)n1 205315997 SETRSHIBWOZCAE-UHFFFAOYSA-N 386.463 2.734 0 1 GFAF CNC[C@@H](O)[C@H](c1cccc(F)c1)n1c(=O)n(C(C)C)c2cccc(F)c21 35950616 XWEOTQVRTMMRCV-MSOLQXFVSA-N 375.419 2.832 0 1 GFAF CN(CC(=O)O)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 49068272 JJQJNSWZRQOMIG-UHFFFAOYSA-N 385.464 2.934 0 1 GFAF COc1ccc(NCC(=O)N2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1 49111527 YWLSBQPNEWXOBH-UHFFFAOYSA-N 393.491 2.718 0 1 GFAF O=C(O)C[C@@H]1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc21 73198833 JIYOUJVUEXKGMY-SNVBAGLBSA-N 385.363 2.867 0 1 GFAF O=c1ccnc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccn12 84757213 NAMFPZSGABLQTE-UHFFFAOYSA-N 396.520 2.668 0 1 GFAF Cn1cc2c(nc(NCCOc3ccccc3)n3nc(-c4ccco4)nc23)n1 95577417 WXPASSFLHJVUDM-UHFFFAOYSA-N 375.392 2.762 0 1 GFAF COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95873672 BMAVFVJRZCOPFO-WMTXJRDZSA-N 394.515 2.751 0 1 GFAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)NCc1cccnc1 96283112 CLJIQUIFVDETGQ-UHFFFAOYSA-N 381.457 2.914 0 1 GFAF N#Cc1cc(-c2n[nH]c3cnc(-c4cccnc4)cc23)cc(N2CCNCC2)c1 205265377 HIYIDCSIHKTRBL-UHFFFAOYSA-N 381.443 2.968 0 1 GFAF CC(=O)N1CCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1 205431072 VQQQQIRMJJMAFZ-UHFFFAOYSA-N 394.406 2.803 0 1 GFAF CCOC(=O)CCC[C@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441042 IYTIFDZKODLZHN-QVKFZJNVSA-N 390.432 2.868 0 1 GFAF O=C(Cn1ccccc1=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657592 AIMBMGHYTZHHTB-UHFFFAOYSA-N 393.349 2.844 0 1 GFAF COC(=O)[C@@H]1OCC(C)(C)[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961327731 UKLCLVVCHOTEBA-KSSFIOAISA-N 380.282 2.921 0 1 GFAF COCCOc1ccc(-c2nnc(-c3ccc4c(c3)C[C@](N)(CO)CC4)o2)cc1 1772636343 BNQFDYZDXGMLQB-QFIPXVFZSA-N 395.459 2.607 0 1 GFAF O=C1CC[C@@H](N2Cc3c(SCc4ccccc4F)cccc3C2=O)C(=O)N1 1857604187 QCORSKOYGDWRBU-MRXNPFEDSA-N 384.432 2.879 0 1 GFAF Cn1c(CO[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2F)nc2ccccc21 2356302018 JXYDPRLOTCGYOJ-YJBOKZPZSA-N 389.452 2.501 0 1 GFAF Cc1c(N2CC[C@H](N(C)C3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520842 HPCSEHOWZLDWHU-HNNXBMFYSA-N 399.466 2.996 0 1 GFAF Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)C(=O)N2 6817065 QVSVMSVEVCUDJY-JTQLQIEISA-N 393.852 2.976 0 3 GFAF O[C@@](CSC(=S)N1CCCCC1)(Cn1cncn1)c1ccc(F)cc1F 103264729 LRSSQQIBPYRVMN-QGZVFWFLSA-N 398.504 2.948 0 1 GFAF COc1ccc(-c2cn3c(n2)CO[C@H](CNC(=O)COc2ccccc2)C3)cc1 2356298794 BOIOEBWZUHIARU-LJQANCHMSA-N 393.443 2.653 0 1 GFAF O=C1NCCc2nc(-c3ccccc3)cc(Nc3ccc(C[C@@H](O)CO)cc3)c21 116991600 IOYVHHKDDAPMNR-GOSISDBHSA-N 389.455 2.674 0 1 GFAF O=C(O)C[C@H]1CCN(C2CCOCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356596860 UCUVMYPGWZNKPD-KGLIPLIRSA-N 375.444 2.836 0 1 GFAF CN1C[C@H](c2cn(C)cn2)[C@@H]([C@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 2356686941 XYZPRKPYRIPTFB-NRSPTQNISA-N 389.455 2.981 0 1 GFAF CC(C)(C)OC(=O)N1CCC[C@@H](OC[C@@H](O)CN2CCc3ccccc3C2)C1 219751759 FUBQOXCXAVTJNG-VQTJNVASSA-N 390.524 2.822 0 1 GFAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C2(CCO)CCO 72181654 ZEEGWZQGMVWCSH-UHFFFAOYSA-N 394.471 2.509 0 1 GFAF FC(F)(F)Oc1cccc(-n2nnc3ccc(OC4CCNCC4)nc32)c1 73280945 YUIAMVPBIZBXPI-UHFFFAOYSA-N 379.342 2.845 0 1 GFAF Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(O)cc2o1 84655065 JPWGMNSPCZZICA-UHFFFAOYSA-N 376.420 2.966 0 1 GFAF C[C@H]1C[C@@H](C)CN(C[C@H](O)CNC(=O)Nc2ccc(Br)cc2)C1 45230497 PERWFFOQCNSMAR-DVOMOZLQSA-N 384.318 2.909 0 1 GFAF CC(F)(F)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1 95574471 MOTAJVUUODSLCC-UHFFFAOYSA-N 378.408 2.679 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccnc(C(F)(F)F)n3)C2)cc1 142230397 FNZVHBKUPPTMFE-NSHDSACASA-N 380.370 2.960 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3\OC(=O)C(CO)=C31)O2 238784692 KZMMOGWSMBTTFY-VHYSJAFBSA-N 392.448 2.546 0 1 GFAF COc1cc2[nH]c3c(c2cc1OC)C[C@H]1C(=O)N[C@@H](C)C(=O)N1[C@H]3CC(C)C 653845345 TUPQWFMUKKBKJL-UVBJJODRSA-N 385.464 2.544 0 1 GFAF COC(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2n1 587014311 PJODKQJEUWEVAY-UHFFFAOYSA-N 389.437 2.893 0 1 GFAF O=C(Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1)n1ncc2ccc(Cl)cc2c1=O 587652415 RNYDATRWCYNYKC-UHFFFAOYSA-N 398.781 2.551 0 1 GFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)[C@@H](C)F)[nH]c2c1 587126064 VKTFOYCJJYPTHW-HWPZZCPQSA-N 378.429 2.730 0 1 GFAF CCOCCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587436970 WOHUWGBUISQQPB-ZHRRBRCNSA-N 379.412 2.721 0 1 GFAF CCc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)c4ccc(F)cc4)CC[C@@H]32)n(C)n1 12283177 DVBLOBPDORZOJL-APWZRJJASA-N 398.482 2.889 0 1 GFAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCCC=C2C(=O)Nc2ccccc2)cc1 13493962 NPQLVCVHYOYLMS-GOSISDBHSA-N 376.460 2.952 0 1 GFAF COc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 13560109 NJWNDAGSUKNZKV-UHFFFAOYSA-N 385.508 2.527 0 1 GFAF COC(=O)[C@@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19210530 WMTBKKBQNKWDRP-FBAVSBLXSA-N 396.418 2.516 0 1 GFAF O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1cccc2cccnc12 169309618 JNZQRBWGCFZPOE-OQTPBVATSA-N 388.423 2.583 0 1 GFAF Cc1c2c(nn1C)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2 169711745 AMXUNCQOHMEKKO-UHFFFAOYSA-N 377.427 2.843 0 1 GFAF Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccncc3)cc2)cc1 1857746511 CJKQJHWLBSJVGG-UHFFFAOYSA-N 395.484 2.799 0 1 GFAF Cc1ccsc1-c1nc(-c2c(C)ncc3c2CCN(C(=O)[C@H](C)N)C3)no1 23431314 WREYGAXWVAMSML-NSHDSACASA-N 383.477 2.709 0 1 GFAF Cc1ccc(CNC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)cc1 9287528 BZFOWYZSHZOHQG-UHFFFAOYSA-N 399.520 2.506 0 3 GFAF Cc1ccc(-c2cn3c(n2)CO[C@H](CNC(=O)c2ccc4c(c2)OCO4)C3)cc1 2356302174 NPTGPIUHHCAYHU-QGZVFWFLSA-N 391.427 2.916 0 1 GFAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OCC(F)(F)F)nn1 103201195 JRWIFELSIGWEJC-UHFFFAOYSA-N 376.241 2.658 0 1 GFAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1 61903927 RNHARTPBQDHXTI-KRWDZBQOSA-N 388.386 2.590 0 3 GFAF CNCCN1C(=O)[C@H](OC(C)=O)[C@@H](c2ccc(O)cc2)Sc2ccccc21 26962120 WRFWPKPPSGMXIS-RTBURBONSA-N 386.473 2.723 0 1 GFAF COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1OC 73138470 CHMCBJOSDHGBIQ-JLTOFOAXSA-N 397.431 2.733 0 1 GFAF c1cc(N2CCNCC2)nc(-n2ncc3cnc(-c4cncc(C5CC5)n4)cc32)c1 211047114 NZEBBXTUICPDQF-UHFFFAOYSA-N 398.474 2.560 0 1 GFAF CCc1ccc(Cc2cc([C@@H]3O[C@]4(CCCO4)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1 49112419 DDOXILQISMHBNE-URYYLNOGSA-N 398.499 2.809 0 1 GFAF O=C(Nc1ccc(F)cc1)Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1 40860857 IXLCSZMRCLEBJJ-UHFFFAOYSA-N 378.367 2.951 0 1 GFAF CCCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)CO 82061023 QVVDNRIPYKZICQ-IEZWGBDMSA-N 392.496 2.564 0 1 GFAF CN(C)CCN(C)C(=O)c1ccc(-c2cc3nc(O)c4ccccc4n3n2)cc1 43019467 BWHLRXMIYFBCCH-UHFFFAOYSA-N 389.459 2.889 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(OC4CCC4)ncn3)C2)cc1 142195619 WKCQQLHKIBAXEC-AWEZNQCLSA-N 382.464 2.873 0 1 GFAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cnccn4)c3CCN12 149093330 LZZDJGGNZRMJTC-UHFFFAOYSA-N 396.454 2.904 0 1 GFAF CCN1CCCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 147906933 ZFBMBXBBBNQNIN-OAQYLSRUSA-N 394.498 2.978 0 1 GFAF O=C(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 95667854 NTBBKECDPCPBFR-PKTZIBPZSA-N 399.494 2.937 0 1 GFAF O=C(Nc1ccccn1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658145 ICSDTVIQFLXYRE-UHFFFAOYSA-N 388.358 2.877 0 1 GFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 586941321 RXWCAWBWJAOORT-GIFJBRJJSA-N 385.449 2.685 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](C)NC(=O)CCC(=O)O)O2 587386385 ISAOBEVIFLPAHE-JLCFBVMHSA-N 396.443 2.807 0 1 GFAF C=CN1CC[C@H]([C@]2(c3cnccn3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475228 NJADLKYEGOHHKA-AOMKIAJQSA-N 393.443 2.987 0 1 GFAF CN(Cc1nc2ccc(Br)c(F)c2[nH]1)S(=O)(=O)c1cccnc1 586928510 DMTFQAOYYFGFIX-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 586923819 WRDDDIDFFZDVBR-UHFFFAOYSA-N 396.472 2.990 0 1 GFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 962942861 CGQLJUXRKAMLEI-DMZKTXOQSA-N 375.428 2.767 0 1 GFAF Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1)c1c(O)nc(O)nc1O2 1772573232 ZATSUJZRQNDZDL-JTQLQIEISA-N 375.182 2.968 0 1 GFAF COc1cccc(C(=O)NC[C@@H]2Cc3cccc(-c4ncccn4)c3O2)c1OC 11788984 QNIBYGLPHWYWNF-HNNXBMFYSA-N 391.427 2.894 0 1 GFAF O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccsc1)CC2)[C@H]1CCCO1 12209368 FHODVXBGWZBZCK-QGZVFWFLSA-N 392.502 2.613 0 1 GFAF CCOc1cc([C@@H]2[C@@H]3C(=O)CCCC3=Nc3nc(C(=O)OC)nn32)ccc1OC 169691344 CCCOBMJSQRJWQA-DLBZAZTESA-N 398.419 2.517 0 1 GFAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OC[C@@H]3CCCO3)ccc1-2 209698020 DFBLFEOEHLUIJI-ZWKOTPCHSA-N 398.459 2.582 0 1 GFAF Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2cc[nH]c(=O)c12 1857546647 KSCZXWRWRBMKMD-UHFFFAOYSA-N 387.461 2.763 0 1 GFAF COCN1C(=O)[C@@H]2CCCN2C(=O)c2cc(OC)c(Cc3ccccc3)cc21 3597057 ZROCCBGWOHSRHT-SFHVURJKSA-N 380.444 2.841 0 1 GFAF Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccn3)c(C)o2)cc1 4924780 JQKIHWSDLMQDJU-UHFFFAOYSA-N 399.472 2.585 0 1 GFAF c1cc(C2=NCCN2)ccc1C[C@H]1CCCN(c2ccc(C3=NCCN3)cc2)C1 5933280 SUXMEMWJKZRJOY-LJQANCHMSA-N 387.531 2.845 0 1 GFAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(=O)O 13836415 TYOKLUCZRWRWLV-BRDXMMLSSA-N 390.567 2.601 0 1 GFAF Cc1c(-c2cccc(Cl)c2)nn2c(=O)cc(CCCN3CCOCC3)[nH]c12 19557470 DUOVZTVVVGHPPX-UHFFFAOYSA-N 386.883 2.916 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@H]3CC[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1 35323312 XOHZZDFJOIMTMY-VWLPUNTISA-N 378.350 2.627 0 1 GFAF CCn1cc(-c2nc3ccccc3o2)c(=O)c2cc(F)c(N3CCNCC3)nc21 42966340 JXEDDFJRZMBVSQ-UHFFFAOYSA-N 393.422 2.773 0 1 GFAF COc1cc2ncnc(N3CCN[C@H](c4ccc5c(c4)OCO5)C3)c2cc1OC 43193795 XLFCKLVOPQITOU-INIZCTEOSA-N 394.431 2.527 0 1 GFAF CC1(C)Oc2ccc(-c3nc4cc[nH]cc-4n3)cc2[C@H](N2CCCC2=O)[C@@H]1O 100931747 MRDIKWSGQONRCK-OALUTQOASA-N 378.432 2.772 0 1 GFAF CCOC(=O)C(=O)N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1/C=C/c1ccccc1 103236289 CCSWPTLTJVYMES-SUHLXZCWSA-N 398.846 2.817 0 1 GFAF CCC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169296581 JPAYKFOGOBDDJL-QLDGJZPUSA-N 396.443 2.750 0 1 GFAF CC1(C)Oc2ccc(-c3cnc4[nH]ccc4c3)cc2[C@]2(COC(N)=N2)C12COC2 220966679 FIXVOAGHXZBUQU-JOCHJYFZSA-N 390.443 2.958 0 1 GFAF CCS(=O)(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924190 KPYPHBNZTZWJGF-KHPPLWFESA-N 376.459 2.801 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 587149599 HUYDHHDYOVHYFX-KRWDZBQOSA-N 394.447 2.920 0 1 GFAF Nc1cc(C(=O)O)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587249978 VDKIHELALCJLCO-UHFFFAOYSA-N 376.376 2.570 0 1 GFAF CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587436383 PQFYHEMLMPNKEB-WJONJSRFSA-N 379.412 2.859 0 1 GFAF COCCOc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)OCO2 587449255 AQOGAKHHSWQXTP-SPLOXXLWSA-N 384.384 2.938 0 1 GFAF CCSC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)OC(=O)c3ccccc3)[C@H]2[C@H]1C 653842121 LIZPSPYVQQOERJ-HBJVGIJOSA-N 375.446 2.758 0 1 GFAF O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@H](Oc2ccccn2)C1 1772657267 MCRVAAHURKFSNP-MRXNPFEDSA-N 385.374 2.591 0 1 GFAF C[C@@H](c1ccc(-c2cc(N3CCOCC3)nc(=N)[nH]2)cc1)[C@@H](C)N1CCCC1 1857593211 IYSMLXVQJXZLPA-IAGOWNOFSA-N 381.524 2.981 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(C=CCO)cc3[C@H]2CO)cc(OC)c1O 2356495448 SGRRPSBKBJVKJE-FOIQADDNSA-N 388.416 2.633 0 1 GFAF C[C@@H]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)[C@@H]1C 5067733 ZWHGMKZMKUQXOB-BFYDXBDKSA-N 389.521 2.796 0 3 GFAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1cccc(OC)c1OC)C2 12479509 NWBXAAQCNVGAEW-XJKSGUPXSA-N 388.464 2.987 0 3 GFAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CSCC(=O)N1Cc1ccco1 199230358 CALFXCLEHBSXIP-IBGZPJMESA-N 388.445 2.524 0 3 GFAF CCCCc1nnn2c1[C@H]1c3cc(Br)ccc3CCN1C(=O)C2 199736540 XMNJJDBTEOIBSJ-MRXNPFEDSA-N 375.270 2.871 0 3 GFAF COCCN[C@](C)(CCCCC(=O)O)c1nnnn1-c1c(C)cccc1Cl 206062455 KLVQSWACAUAPST-GOSISDBHSA-N 395.891 2.720 0 3 GFAF CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1 4257404 ZNMVYWBQTWPDEZ-UHFFFAOYSA-N 384.461 2.505 0 1 GFAF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc2c(c1)OCCO2 16042504 WZJJKUFFNLDKBI-QGZVFWFLSA-N 395.415 2.845 0 1 GFAF biogenic CCOCCn1cnc2sc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(C)c2c1=O 21146420 QZGKELKGSVECML-BETUJISGSA-N 377.510 2.921 0 1 GFAF C[C@H](CN1CCCCC1)OC(=O)[C@H]1CCCCN1C(=O)C(=O)c1ccccc1 25966952 XJAZQNWIEIGPLN-IEBWSBKVSA-N 386.492 2.668 0 1 GFAF CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(N3CCNCC3)nn2)n1 64527066 KHGITEBUGKISDS-UHFFFAOYSA-N 399.890 2.587 0 1 GFAF C[C@H]([C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118925229 MEGHYHKXGSKUIU-YFIPSIICSA-N 380.569 2.966 0 1 GFAF CCOc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)nn2)cc1 146982771 JTGDHRMRNSDTJE-HXUWFJFHSA-N 393.447 2.579 0 1 GFAF CC[C@H]1C[C@H]2CN3CC[C@@]4(Nc5ccc(OC)cc5C4=O)[C@](C(=O)OC)(C2)[C@H]13 238742854 ZZJBUKQZGMCYEE-FYXPUYRQSA-N 384.476 2.726 0 1 GFAF COc1cc(O)c(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1O 238780294 WARHVXWFMMHDLD-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF COC(=O)c1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2cn1 586974713 XOLYLEKSXPPSKT-QGZVFWFLSA-N 384.461 2.855 0 1 GFAF O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587556530 AYQUTFUMLYGCPE-OKILXGFUSA-N 390.399 2.783 0 1 GFAF CN1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C(F)(F)F)N1 587557429 ROQDFWXIDIDVLJ-ASZQFPGMSA-N 394.349 2.720 0 1 GFAF Cc1ccc([C@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587820151 AEPMWYRIGJNEDM-ZMZPIMSZSA-N 380.257 2.985 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(C2CC2)N1 587849107 JPHKRDQPVDUNBP-BJOHPYRUSA-N 376.291 2.772 0 1 GFAF COc1ccc2c(c1OC)[C@@](C)(c1ccccc1OCC(N)=O)N(C)[C@H](C)C2 962635291 RIBGTOXAQNYHKA-JLCFBVMHSA-N 384.476 2.708 0 1 GFAF CC(=O)n1[nH]c(C)c([C@]2(C)c3cccc(Br)c3CCN2C)c1=O 963281601 SLSGMTJYXMUVLR-KRWDZBQOSA-N 378.270 2.659 0 1 GFAF COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4c[nH]c5ccccc45)C[C@H]32)cc1 1204045671 NFKHAJOVXWEZKU-FGZHOGPDSA-N 391.471 2.788 0 1 GFAF biogenic Cc1cc(C(=O)N[C@@H]2[C@H](c3ccccc3C)C[C@@H](O)[C@H]2O)c(C(F)(F)F)o1 2356286619 IPAIZRMGIUBVEA-LCGIIJARSA-N 383.366 2.923 0 1 GFAF CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1 72136631 OXEUPRSTGYQNFU-ZDUSSCGKSA-N 397.440 2.516 0 3 GFAF CCOc1ccc(CO[C@@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 4177345 AOWCCGTVGMHYSD-VHPHOLNESA-N 394.464 2.998 0 1 GFAF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4295949 ANQWKEPJVMYPQU-CTNGQTDRSA-N 398.459 2.948 0 1 GFAF COc1ccccc1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 6839490 ZOJOFJDQPJUVAE-UHFFFAOYSA-N 383.429 2.635 0 1 GFAF CN(Cc1ccccc1F)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28572370 RBPUNCOZVARSRU-IBGZPJMESA-N 376.382 2.715 0 1 GFAF OC[C@H]1O[C@@H](c2nc3ccc(-c4nc(-c5cccs5)no4)cc3[nH]2)C[C@@H]1O 61904493 FWUJEIAEMOJWAL-BFHYXJOUSA-N 384.417 2.525 0 3 GFAF CNCC(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1 28896599 BKBYGIARQARTNG-UHFFFAOYSA-N 398.898 2.901 0 1 GFAF COc1cc2c(c(CO)c1OC)C=C1c3c(cc4c(c3OC)OCO4)CCN1C2 2356875403 ZPXOWECKEFANPH-UHFFFAOYSA-N 397.427 2.803 0 1 GFAF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(OCCN3CCCCC3)ccc12 45370487 NHBGIVPHKOJTLA-UHFFFAOYSA-N 385.508 2.718 0 1 GFAF Cn1nncc1C(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(N)n1 142686185 RRCJRMMIGQKZFZ-UHFFFAOYSA-N 378.314 2.610 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O 95693318 AZDABJQXNZGANX-CLCXKQKWSA-N 391.512 2.519 0 1 GFAF CC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95667122 NECLCUYHPCRDLO-BHDDXSALSA-N 382.504 2.845 0 1 GFAF Nc1ccccc1NC(=O)c1ccc(CNC2=NC(=O)[C@@H](c3ccccc3)N2)cc1 96273669 HMTJEOJSDFUEKT-HXUWFJFHSA-N 399.454 2.838 0 1 GFAF Cn1ccc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)n1 95565680 AHGJHLDDGBIVIE-UHFFFAOYSA-N 377.235 2.641 0 1 GFAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C)C1 95868674 GDXMEWNKGITLMI-NRFANRHFSA-N 391.515 2.919 0 1 GFAF COC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 261178027 VJUBLIXVVNAHIX-QAQDUYKDSA-N 389.496 2.842 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1nc[nH]n1 587586499 CMTBEGBHZRUGGB-UWJYYQICSA-N 386.367 2.811 0 1 GFAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(C)(C)C 587202843 BRFRZAYMJXHISF-CYBMUJFWSA-N 396.513 2.692 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(=N)[nH]cc32)N1 587742514 AIHAUROLCQRLNA-XYZCENFISA-N 377.261 2.905 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@]1(C[C@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)NCC2 962930835 MQJPNYWWERSNFZ-KEQGGVEFSA-N 385.508 2.759 0 1 GFAF N=C1NC(=N)N(OCCCOc2ccccc2Cl)C2(CCSCC2)N1 1772577264 JWIORTFSNGYPDE-UHFFFAOYSA-N 383.905 2.628 0 1 GFAF O=C(NC[C@H]1CCCCO1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166512040 LMLAHQXYKBGDEV-LJQANCHMSA-N 380.448 2.928 0 1 GFAF NCc1cc(Oc2cccc(C(=O)N3CC[C@H](O)C3)c2)nc(C(F)(F)F)c1 1857551136 LJHFUFVRZNYVMK-ZDUSSCGKSA-N 381.354 2.558 0 1 GFAF COc1ccc2c(c1OC)CN1[C@@H](C2)c2cc3c(cc2C[C@@H]1CC(=O)O)OCO3 1857616808 NUGPYECDTBLMCS-PBHICJAKSA-N 397.427 2.931 0 1 GFAF Cc1c(C(=O)N2CC[C@H](C(F)(F)F)C2)cnn1-c1nc(O)c2sccc2n1 1857618350 QBNSKJSOLRLIFT-VIFPVBQESA-N 397.382 2.915 0 1 GFAF CON(C)C(=O)c1sc(N2CCOCC2)cc1OCCc1ccccc1 1857763322 ZGVAOTVKLNIQPG-UHFFFAOYSA-N 376.478 2.840 0 1 GFAF COc1cc([C@@H](OC)[C@@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 215942148 KDVJSVPEOZSZGS-MXKXFIQMSA-N 390.432 2.799 0 1 GFAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2c(c1)OCCO2 4992538 FMCHJJRXXRRGPE-UHFFFAOYSA-N 377.356 2.553 0 1 GFAF C[C@@H](CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 21529593 UXGRIPVGYNNBJN-LBPRGKRZSA-N 396.534 2.732 0 1 GFAF CCOC(=O)[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 28091191 NGDXDQSSXJGFDM-GXJJEBCYSA-N 383.488 2.829 0 1 GFAF CC(C)(C)NCC(=O)N1CCC[C@H]1C(=O)c1noc(C2(C)CCCCC2)n1 28823357 SXIQXONEHUAAII-AWEZNQCLSA-N 376.501 2.853 0 1 GFAF O=C(NC1CCC(O)CC1)c1cnn2ccc(N[C@@H]3CCc4ccccc43)nc12 113758141 IJRFYMDEHNCGGT-LADRWXRNSA-N 391.475 2.862 0 1 GFAF Cn1cc(Nc2ncc(Br)c(Nc3cccc(C(N)=O)c3)n2)cn1 63540048 LDCRXINUMOULCK-UHFFFAOYSA-N 388.229 2.559 0 1 GFAF OC[C@@H]1[C@H](O)C[C@@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 2356462207 JXUBJTNCLGIIGI-CIAFKFPVSA-N 396.535 2.609 0 1 GFAF CC(=O)OCCCCCCCCCC[C@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1 2356792152 JJSYSSRCBRHORK-BEFAXECRSA-N 386.441 2.922 0 1 GFAF COc1cc(C)c2c(c1O)Oc1c(c(C)c(O)c3c1[C@H](OC)OC3=O)OC2=O 14588326 MITNJIOIWSCYFS-LJQANCHMSA-N 388.328 2.864 0 1 GFAF biogenic CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](C(C)C)N2 82206727 CECNKDRZGFOXCF-OAHLLOKOSA-N 376.501 2.779 0 1 GFAF CCCC[C@@H](O)C1=C[C@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@]3(O)C1 195296043 WBVBPFKXFKIIPB-JIRZZWRRSA-N 385.504 2.567 0 1 GFAF COc1ccc2cc([C@H]3SC(NC(C)=O)=NN3C(C)=O)c(Cl)nc2c1 98083027 GKIPLIGRSVIYQG-OAHLLOKOSA-N 378.841 2.898 0 1 GFAF COc1cc(-c2cn[nH]c2)cc2c(=O)nc([C@H](N)Cc3cccc(F)c3)[nH]c12 95591273 RVYJKUWZLONOCK-MRXNPFEDSA-N 379.395 2.703 0 1 GFAF COC[C@@H]1CCCN1c1ccc2c(c1)O[C@H](C)CCN(C1CC1)S2(=O)=O 96019150 ULVUGDVDJFRDSM-PBHICJAKSA-N 380.510 2.626 0 3 GFAF CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 261172568 UBQGHZHGVDBKTF-NNUKFRKNSA-N 382.461 2.786 0 1 GFAF N=c1nc(O)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c[nH]1 587253312 GVXCWDJCPFJUDC-UHFFFAOYSA-N 390.119 2.799 0 1 GFAF Cc1cc(-c2nc3cc(N)c(N)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126275 WTDRTMYLOVOJNT-UHFFFAOYSA-N 385.371 2.964 0 1 GFAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587080898 VATRFFHPLXBNGU-ZDUSSCGKSA-N 389.868 2.588 0 1 GFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(F)c(Br)c2[nH]1 587202654 FILSLBBSQKYFFC-JTQLQIEISA-N 385.237 2.543 0 1 GFAF CS(=O)(=O)Nc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 586950115 ATKDPLBDHICEAT-UHFFFAOYSA-N 385.218 2.898 0 1 GFAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587250433 ULBZWKANQGVODR-UHFFFAOYSA-N 390.193 2.895 0 1 GFAF N=c1[nH]c2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc-2c(Cl)[nH]1 587218268 HKBTXDDFPUOFAP-ZDUSSCGKSA-N 378.823 2.890 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnnc(O)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238194 BKBASZBGUXJPMC-VARDARPISA-N 389.456 2.614 0 1 GFAF COC(=O)C1(N)CCC2(CC1)NC1(CC1)Cc1ccc(Br)cc12 961617256 ULAYGNYKNLDNPS-UHFFFAOYSA-N 379.298 2.767 0 1 GFAF COc1ccc(Cc2c(Cc3cc(OC)c(O)c(OC)c3)nc(N)n2C)cc1 1772617974 SJFSZYHXRCBFOS-UHFFFAOYSA-N 383.448 2.915 0 1 GFAF CN1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1 1772649207 AWYBHCVXZFMJHV-UHFFFAOYSA-N 386.463 2.706 0 1 GFAF COC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1Cc1ccccc1OC 12478981 UGJHLRDXRAYTDU-HNNXBMFYSA-N 379.409 2.643 0 3 GFAF O=C(NCc1cccnc1)[C@@H]1CC=C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@@H]21 12479337 PMMNKUWMSUZIFG-NJYVYQBISA-N 375.472 2.939 0 3 GFAF C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccc(C(=N)N)cc2)cc1 13474297 JTXFYPDRKGTVII-UHFFFAOYSA-O 398.490 2.728 0 1 GFAF CSc1sc(C(=N)N)cc1-c1csc(NCCN2CCOCC2)n1 28013966 CUQLUXBWHFUDGN-UHFFFAOYSA-N 383.568 2.622 0 1 GFAF COc1ccc(CCn2ncc(C(=O)c3ccc(N(C)C)cc3OC)n2)cc1 40568296 XICAPTSDUTWFAV-UHFFFAOYSA-N 380.448 2.835 0 1 GFAF C[C@H](N)C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)N[C@@H]1CCCc2ccccc21 45245308 PBFOTDPMLSLTEY-NILFDRSVSA-N 384.505 2.652 0 1 GFAF CN(C)C(=O)Nc1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C 49112401 DISUNGYVPYEJON-UHFFFAOYSA-O 382.444 2.585 0 1 GFAF O=C(COCc1ncccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1 64573628 SKTPNSULHIIWFC-UHFFFAOYSA-N 381.263 2.649 0 1 GFAF COC(=O)CNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 66167048 CCMQYJVKWXJEKC-UHFFFAOYSA-N 397.519 2.854 0 1 GFAF O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 72175756 XHLJZYGFINEFMX-CEXWTWQISA-N 396.491 2.533 0 1 GFAF CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 72177091 ZXGBXINOLXYNIY-CEXWTWQISA-N 398.507 2.781 0 1 GFAF COc1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@@H](C)CN3)cc1 82210774 VJOFJFKWBVSBPT-HNNXBMFYSA-N 392.459 2.666 0 1 GFAF Cc1cc(-c2ccc3nc(Nc4cc[nH]n4)c(-c4nc(C)nc(N)n4)n3c2)on1 95553742 INKMULYTOXUNTN-UHFFFAOYSA-N 388.395 2.507 0 1 GFAF CC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CC1 95895600 AARISULFZWERSM-BHDDXSALSA-N 396.462 2.694 0 1 GFAF CCCNC(=O)N1[C@H](CNC(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)[C@@H]1CO 95895951 MJDWAAMJSXRTDT-HSALFYBXSA-N 399.466 2.504 0 1 GFAF O=C1c2cnn(-c3ccccn3)c2CCCN1C1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101668564 QDAUCYFWRJSXFP-ODFBWDJASA-N 378.476 2.595 0 1 GFAF NC1=N[C@]2(CO1)c1cc(-c3cccnc3F)ccc1OC1(CCC1)C21COC1 220714845 MIWGEPYDEJPCPW-OAQYLSRUSA-N 381.407 2.760 0 1 GFAF CCOC(=O)[C@H](CCc1ccccc1)S[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 253635090 JFGSPCGBBXYKKA-XIRDDKMYSA-N 393.505 2.748 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](C(=O)O)[C@@H]3C(=O)O 586991738 WEJXNNBRJQIQHN-ZBEGNZNMSA-N 389.363 2.967 0 1 GFAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587154921 GLWHKMLAVZOWLJ-UHFFFAOYSA-N 399.245 2.777 0 1 GFAF CC(C)(C)c1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2n1 587227823 ZHHQILSFZLETIK-UHFFFAOYSA-N 395.463 2.798 0 1 GFAF NCCOCCOCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587246090 KSZSWJIGSLJWFS-UHFFFAOYSA-N 396.207 2.879 0 1 GFAF CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587402293 BEQFSCAPEWKXQH-JOCHJYFZSA-N 397.427 2.969 0 1 GFAF COCCS(=O)(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587451778 ZTUQKFGEBGPBQS-UZLBHIALSA-N 388.441 2.604 0 1 GFAF Cc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc(NCCO)n1 653915617 FFCKOYHQDRKWGO-UHFFFAOYSA-N 398.898 2.717 0 1 GFAF CCOC(=O)CCCCC[C@@]1(C(=O)OCC)NCCc2c(C(=O)O)cccc21 963131820 OPLSREKFPQFEPJ-OAQYLSRUSA-N 391.464 2.803 0 1 GFAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCCc4cccnc4)c(=O)n1c23 1857576481 GXOQQRMUHYNEDF-GFCCVEGCSA-N 381.407 2.721 0 1 GFAF O=C1NC(=O)/C(=C/c2ccccc2OCN2C(=O)c3ccccc3C2=O)S1 1857649140 QWDQRUIRQPLFKJ-DHDCSXOGSA-N 380.381 2.643 0 1 GFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@H]2[C@@H]1C 2356313702 TUHNQKHRJJVJBN-XUUBIRNTSA-N 390.524 2.860 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCC(F)(F)CC2)n1 2356770931 LTOLZXYYIHXIBS-BSDSXHPESA-N 397.510 2.842 0 1 GFAF O=C(Nc1nccs1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2=CCCC2)nn1 2356851970 QLROOMIQQJMZOG-HRCADAONSA-N 384.509 2.651 0 1 GFAF COc1cccc(NC(=O)OCCN2CCN(Cc3ccccc3)CCC2=O)c1 8680082 UCYXGLLCSOHXDG-UHFFFAOYSA-N 397.475 2.978 0 3 GFAF CN(C(=O)CCCN1CCCC1=O)[C@H]1CCCN(Cc2ccccc2F)C1 11840312 HGSUQLIMCIMDFH-SFHVURJKSA-N 375.488 2.651 0 3 GFAF Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CC2CCCCC2)c1 61896329 CAONFAPQAHOMNB-FQEVSTJZSA-N 392.521 2.761 0 3 GFAF CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1=O 3958723 LUAXMFDQDVMEOQ-JENIJYKNSA-N 387.524 2.878 0 1 GFAF CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cccc(C(N)=O)c3)oc2c1 4030456 HFNAWPDKVYAEMN-FLFQWRMESA-N 378.432 2.709 0 1 GFAF O=C(CS[n+]1cc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1 45245961 MVYXWWVBQDKSTC-UHFFFAOYSA-O 392.457 2.957 0 1 GFAF Nc1ccccc1CNC(=O)CNC(=O)c1csc(Nc2ccccc2)n1 82084829 MBIXNCXCZKUUHA-UHFFFAOYSA-N 381.461 2.515 0 1 GFAF CCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc(C)c1 82145020 KWXSKPDWNPDEPY-KRWDZBQOSA-N 395.507 2.684 0 1 GFAF COc1cc(C(=N)N)cc(Br)c1OCc1cccc(C(=N)N)c1 96910495 JLVKTVJDRHOGEF-UHFFFAOYSA-N 377.242 2.605 0 1 GFAF Cc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110787259 PXXBCJNYKPSOBG-HUUCEWRRSA-N 381.413 2.904 0 1 GFAF O=S(=O)(c1ccc(Cl)cc1)n1cc2c3c(cccc31)N1CCNC[C@@H]1C2 169351350 UUAAWZUEHMOCBC-HNNXBMFYSA-N 387.892 2.866 0 1 GFAF O=c1n(Cc2cc3cnccc3n2CCCCO)c2cnccc2n1C1CC1 200619297 SWHVCEUPNYMLGC-UHFFFAOYSA-N 377.448 2.703 0 1 GFAF CC(C)(C)OC(=O)N1CCC[C@H](OC[C@@H](O)CN2CCc3ccccc3C2)C1 219751692 FUBQOXCXAVTJNG-PMACEKPBSA-N 390.524 2.822 0 1 GFAF COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 586929462 VEYUDGWOCPTORG-UHFFFAOYSA-N 393.852 2.824 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnnc(O)c3[nH]2)C[C@H]2CCCC[C@H]21 586957793 FCLNKVHMFTVRIW-WQVCFCJDSA-N 399.476 2.753 0 1 GFAF CC1=C(c2ccc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)NNC(=O)C1 587154840 SMLFPWSZTMJXCJ-LHSJRXKWSA-N 377.423 2.799 0 1 GFAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587164368 UBIDASYSCAMEDS-KRWDZBQOSA-N 376.457 2.603 0 1 GFAF COC(=O)C[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582611 QEMCPYHCPVKTOW-WIYYLYMNSA-N 394.383 2.546 0 1 GFAF COc1cc(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc(OC)c1OC 587652366 PYRSXPHXCBMEAX-UHFFFAOYSA-N 388.807 2.959 0 1 GFAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587938573 XOCGSWXTYXGGJI-XIKOKIGWSA-N 389.477 2.659 0 1 GFAF Cc1ccc([C@]2(CN)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1 962625369 CIKQGXCZUVDGMY-KSSFIOAISA-N 380.366 2.695 0 1 GFAF COc1ccc([C@]2(c3ccc(CC(=O)O)s3)c3c(cnn3C)CCN2C)cc1 963956310 WBAVLJGRYKJVOW-NRFANRHFSA-N 397.500 2.897 0 1 GFAF COc1ccc(CCN[C@@](C)(COC(C)=O)P(=O)(OC)OC)cc1OC 1857547199 JJTCQNKYXGGRHD-QGZVFWFLSA-N 389.385 2.601 0 1 GFAF CCC(C)=CC(=O)O[C@@H]1[C@H](O)C[C@@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356650961 XTIZBLMVEVBXHN-OIJUPCJXSA-N 378.465 2.633 0 1 GFAF O=C(N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]2C1)c1cccs1 2356829574 IZYRNZQVVFLTBI-SMDDNHRTSA-N 389.864 2.757 0 1 GFAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]2[C@H]1C 2356843130 NCEMRNJIGFOWAD-SSHXTSQHSA-N 393.572 2.756 0 1 GFAF O=C1C[C@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]2CCN1Cc1cccnc1 2356874099 YSOUPIAWQSNUPZ-MOPGFXCFSA-N 399.516 2.531 0 1 GFAF CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1ccc(OC)cc1OC 13130878 NLNPCDWXWFCGQI-CYBMUJFWSA-N 398.341 2.690 0 3 GFAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(OC)ccc2Br)C1 61906594 PGVUCTZGMWGNRH-QGZVFWFLSA-N 383.286 2.836 0 3 GFAF COC[C@H]1CN(CCc2ccc(F)cc2)S(=O)(=O)c2c(F)cccc2O1 96021266 TUJGRBQNPIUCDZ-OAHLLOKOSA-N 383.416 2.606 0 3 GFAF COc1cccc([C@H]2c3cc4c(cc3O[C@@H](NCCO)[C@@H]2C)OCO4)c1OC 1642709 CKUCWPTUZQKDGP-ZPDQPEGFSA-N 387.432 2.501 0 1 GFAF Cc1nc(N2CCOCC2)c2nc(-c3ccccc3)n([C@H](C)CN(C)C)c2n1 7991846 IJAKWMKRPYLNJT-OAHLLOKOSA-N 380.496 2.761 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)[C@H](C=O)[C@]12COC(=O)[C@@]13C[C@@H](CC[C@H]12)[C@H](C)C3=O 13339300 HZBMFLUUAAWLOC-BMSPFRSQSA-N 390.476 2.718 0 1 GFAF biogenic CCc1c(C(=O)C(N)=O)c2c(O[C@@H](C)C(=O)O)cccc2n1Cc1ccccc1 13445814 WTPLMBCNINDFBY-ZDUSSCGKSA-N 394.427 2.772 0 1 GFAF CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C)CCc1ccccc1 13492509 UADSCOQPDXPUEA-MJGOQNOKSA-N 375.513 2.580 0 1 GFAF O=C(NCc1nc(-c2ccccn2)no1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 23191940 QDHWFFNXSRTVOE-HNNXBMFYSA-N 397.479 2.709 0 1 GFAF CN(C(=O)CCCOc1ccc2c(c1)CN1NC(=O)NC1=N2)C1CCCCC1 26851645 PRAJWFNLPVTDJF-UHFFFAOYSA-N 385.468 2.668 0 1 GFAF CC(C)C[C@H]1CCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891907 OKVHTTCXTTYJSU-MOPGFXCFSA-N 390.549 2.990 0 1 GFAF Cn1cccc1C(=O)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 29059548 MVFJDAVYDKLWOL-UHFFFAOYSA-N 385.383 2.878 0 1 GFAF C/C=C1\CN2CC[C@H]1[C@@](COC(C)=O)(C(=O)OC)c1[nH]c3ccccc3c1C2 33839752 FFOLRDAPZBOCPV-JRYQBJNHSA-N 382.460 2.924 0 1 GFAF Cn1c(=O)c2cc3n(c2n(C)c1=O)C[C@H]1[C@H]3Nc2ccc(Cl)cc2C1(C)C 40867017 XDYWGVGVBQOVME-XJKSGUPXSA-N 384.867 2.766 0 1 GFAF COC(=O)c1[nH]c2ccc(OC)cc2c1[C@H](O)c1cc(O)c(OC)c(OC)c1 45334812 QGDREQAJEZGROA-GOSISDBHSA-N 387.388 2.768 0 1 GFAF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CCN(C3CNC3)C2)c2ccccc21 73221331 XPHCAEDIXCJNLS-HSZRJFAPSA-N 390.462 2.883 0 1 GFAF CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)C=C[C@@]3(C[C@@H]2N=S)[C@H]1C5 95584821 YRVBHJYAFWBJQF-LRVUYGIZSA-N 398.528 2.876 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)c2ccccc2)cc1 95895644 GORVFQJRTXHRGE-QGZYGICISA-N 378.472 2.825 0 1 GFAF CCOc1c(S(=O)(=O)CC)ccc(C(=O)c2c(C)nc(C)n2O)c1Cl 103205331 XFCAUTXVEDWYSG-UHFFFAOYSA-N 386.857 2.814 0 1 GFAF CCc1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1 117352267 XZQCTFIYSCYMLY-UHFFFAOYSA-N 377.488 2.968 0 1 GFAF CC(=O)NC[C@H]1CN(c2ccc(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1 207103482 PYDHGLFWYIKPKA-HNNXBMFYSA-N 379.508 2.815 0 1 GFAF COc1ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c2c1C[C@@H](C(C)(C)O)O2 238774349 RMTZLMXSFDXFBI-GUYCJALGSA-N 386.400 2.540 0 1 GFAF CC(C)NC(=O)[C@@H]1CCc2nnc(CNC(=O)c3ccc(Cl)cc3Cl)n21 299852939 ZQGVGRXIXGRURB-ZDUSSCGKSA-N 396.278 2.527 0 1 GFAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(S)nc(S)nc2[nH]1 587039899 XEHOMNHIIPQZJI-UHFFFAOYSA-N 383.484 2.796 0 1 GFAF CC1=C(c2ccc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c3c2)NNC(=O)C1 587170596 DLSWGXYNPUZBGE-UHFFFAOYSA-N 394.406 2.915 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc[nH]c(=N)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240281 RXUVEPNWVMKORF-GIQGCJHYSA-N 387.484 2.925 0 1 GFAF CCOC(=O)[C@@]1(c2nccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574902 CPYKZMNDZKMTTP-IIBYNOLFSA-N 394.383 2.546 0 1 GFAF CCN1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)OC)C1 587763553 ZUYQWFBGOCCLHB-YNKQFZHNSA-N 399.304 2.833 0 1 GFAF COC(=O)[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587812309 YKGPDZNZIUNDRL-CINOJJQCSA-N 384.245 2.860 0 1 GFAF O=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2cccn2)n1 653709722 SZVIONJDVJGJAN-UHFFFAOYSA-N 392.463 2.933 0 1 GFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356742124 URGORGLYIPMNMS-XEYPJELSSA-N 387.499 2.819 0 1 GFAF CC(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 2356874222 YTXZWHMDGDGJQL-HLAWJBBLSA-N 393.535 2.832 0 1 GFAF C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)Nc3nc[nH]n3)c1)c1ccccc1O2 6498255 FYOMRAZYCXZZDD-FOIQADDNSA-N 390.403 2.827 0 3 GFAF CCOc1ccc(NC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952418 RWTHQDLSSBOWBH-UHFFFAOYSA-N 381.432 2.898 0 1 GFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccccc2)cc1 4593139 QZILCGXCVLXCKE-SLDRDFCHSA-N 397.452 2.990 0 1 GFAF O=C(O)c1cn(C2CC2)c2c(F)c(N3C[C@@H]4CCC[C@@H]3CN4)c(F)cc2c1=O 101339658 RHGPNNXNRMVUCV-CMPLNLGQSA-N 389.402 2.644 0 1 GFAF CN(C(=O)CNC(=O)Cc1ccccc1)[C@H](CN1CCCC1)c1ccccc1 28130346 YJLSYEUKIODMDR-OAQYLSRUSA-N 379.504 2.641 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(OC)C[C@@H]12 2356663380 CZMOHCGAILDDJJ-OJVGRKDMSA-N 378.465 2.897 0 1 GFAF Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCCN4CCOCC4)sc3c2c1 34858021 BTIIVWBIOABCCC-UHFFFAOYSA-N 385.489 2.503 0 1 GFAF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN(C3CNC3)C2)c2ccccc21 73221222 XPHCAEDIXCJNLS-QHCPKHFHSA-N 390.462 2.883 0 1 GFAF CC(=O)NCCn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21 82178411 JDWFRQCMAQQQIC-UHFFFAOYSA-N 376.420 2.835 0 1 GFAF Cc1c(Sc2cccc(N)c2)n(COCC[Si](C)(C)C)c(=O)[nH]c1=O 195519375 IPUFHNMJYRIYFX-UHFFFAOYSA-N 379.558 2.891 0 1 GFAF O=C(C1CC1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196012 DNYRRVXKFADSRU-UHFFFAOYSA-N 394.397 2.849 0 1 GFAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](C(=O)OC)c3ccccc3)c2)n1 87612979 UPWRHUBPDVPZDS-SFHVURJKSA-N 393.447 2.856 0 1 GFAF Cc1cc(N)nc(CCc2cncc([C@H](CN)Cc3cc(C)cc(N)n3)c2)c1 98209390 HKLFDCGBVFYQPQ-KRWDZBQOSA-N 376.508 2.723 0 1 GFAF in-vitro O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 95893298 MGXVPKHTBGRHQO-AABGKKOBSA-N 380.419 2.551 0 1 GFAF O=S(=O)(c1ccccc1)N1CCN(c2noc3cccc(Cl)c23)CC1 299830431 WQEXDIRUOYNDCM-UHFFFAOYSA-N 377.853 2.992 0 1 GFAF COC(=O)c1ccc2cc(NS(=O)(=O)c3ccc(NC(=N)N)cc3)ccc2c1 299872013 ZQUIVBSSFRAUHP-UHFFFAOYSA-N 398.444 2.733 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(=N)N)cc4[nH]3)CC2)cc1 586954469 CZZUIQLUXPXXAS-UHFFFAOYSA-N 397.504 2.724 0 1 GFAF COC(=O)/C(=C/N(C)C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587758878 ZAHREFYDDWHPCX-APTBTBEPSA-N 385.277 2.956 0 1 GFAF CC(C)OC(=O)C1(c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CC(F)(F)C1 587131732 SJANLYITMDHBGV-UHFFFAOYSA-N 392.450 2.933 0 1 GFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2c(Cl)ncnc2N2CCCCC2)N1 962913192 RARDSRIIQKVVGT-BBRMVZONSA-N 390.846 2.948 0 1 GFAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC)n3)C2)cc1 1772606505 KWEWKRAYMROTKU-QFBILLFUSA-N 397.523 2.830 0 1 GFAF C[C@H](NCCc1ccc(N(C)CC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 11422459 IKLPSWXVJZEIMF-RBZFPXEDSA-N 392.883 2.821 0 1 GFAF CCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169363576 GILYTJDQDXXBEX-BCPMKPLCSA-N 381.472 2.616 0 1 GFAF COc1cnc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)nc1 169708473 OAQHRRNHJUTEMP-VDYXNGCNSA-N 392.431 2.798 0 1 GFAF CNC(=O)Nc1cc(Oc2cccnc2C)c(-c2ccc(OCCO)nc2)cn1 1857542162 LDKLCKNGZBNRNG-UHFFFAOYSA-N 395.419 2.762 0 1 GFAF CC1=C[C@@](CF)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O1 147616251 DBVVGCITZAIBBQ-LJQANCHMSA-N 383.358 2.758 0 1 GFAF CCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)Cc1ccccc1OC 4546794 ANBNCHJNGDHOSC-RBUKOAKNSA-N 390.524 2.940 0 1 GFAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC(C)(C)O2 5070076 VOHRLHXXIJIXNU-BQFCYCMXSA-N 376.497 2.558 0 1 GFAF CC(=O)N1CCOc2cc(S(=O)(=O)N(C)Cc3ccccc3)c(Cl)cc21 6893124 SIUDHUCWHZVZIH-UHFFFAOYSA-N 394.880 2.906 0 1 GFAF CC(=O)N1CC[C@H]2[C@@H]1C(=O)N(c1cccc(F)c1)C(=O)N2Cc1cccs1 25229184 IDMHHCRIJBNQMS-DLBZAZTESA-N 387.436 2.845 0 1 GFAF biogenic CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccccc1)CC(=O)C[C@@H]2c1ccccc1 35932104 NOSQTNLUUNHXBI-KDURUIRLSA-N 390.439 2.954 0 1 GFAF COc1ccc(-c2cc3c(C)nc(N)nc3n2[C@H]2CC[C@H](OCCO)CC2)cn1 103259797 YNFRHXFULXJLML-IYBDPMFKSA-N 397.479 2.885 0 1 GFAF Cn1c(N2CCN[C@@H](c3ccccc3Cl)C2)nc(-c2ccncc2)cc1=O 116774558 VEGNFCDCYREMAX-GOSISDBHSA-N 381.867 2.647 0 1 GFAF Cc1ccc(/C=C/C(=O)N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1 169312449 NKORIFURWSGRKJ-ZHACJKMWSA-N 398.470 2.948 0 1 GFAF Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@H](O)C1 205246748 QQLMYTBQUSPVAD-HNNXBMFYSA-N 389.463 2.690 0 1 GFAF COc1ncccc1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1F 221612478 WRQVCJKYDGXPHS-UHFFFAOYSA-N 391.406 2.868 0 1 GFAF C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)C(c2cccc(Br)c2)=N1 299832238 SSBRGYWKBCIRNI-LLVKDONJSA-N 394.294 2.752 0 1 GFAF CCOc1n[nH]c(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1Br 586979749 KJABKJFPUKLSKQ-UHFFFAOYSA-N 395.213 2.909 0 1 GFAF CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1Br 586979754 KPTNFOFMIABGSV-UHFFFAOYSA-N 376.214 2.999 0 1 GFAF Cc1cccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12 587181652 YLJSGRVPOWICPG-UHFFFAOYSA-N 382.161 2.575 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCN(C)CC3)cc1)O2 587400984 RTAUWCYODOPFCK-QFIPXVFZSA-N 395.503 2.910 0 1 GFAF CC(C)Oc1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587971220 WIWYEZQLHPVNTG-CNDDSTCGSA-N 383.198 2.611 0 1 GFAF C=CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 621485932 UQCQYWJEHLLCSW-CQSZACIVSA-N 380.853 2.877 0 1 GFAF Oc1ccc(N2CCN(C[C@H](O)COc3cccc4ccccc34)CC2)c(O)c1 1857600576 REVIVPUSKPEBSK-IBGZPJMESA-N 394.471 2.813 0 1 GFAF COc1ccc2c(c1O)N(C(C)=O)[C@@H]1[C@H]3CO[C@@H](C)[C@H]4CCC[C@]21[C@H](N)C[C@H]43 2356586682 KJVGBOUBESFLFR-BANWVVGSSA-N 386.492 2.556 0 1 GFAF C[C@@H](NC(=O)CCCc1nnc2n(C)c(=O)c3sccc3n12)c1ccccc1 6868336 GDFKLZMHROONIC-CYBMUJFWSA-N 395.488 2.843 0 3 GFAF COCCNC(=O)[C@H]1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 61930929 XPRZZQIGMHNJBH-KRWDZBQOSA-N 397.475 2.879 0 3 GFAF CCOC(=O)c1ccc(N[C@@H]2CCN3C(=O)c4ccccc4[C@@H]3C[C@H]2O)cc1 61959037 NZORHSBDUGHNCI-HSALFYBXSA-N 380.444 2.996 0 3 GFAF CSCCc1nc2nc(N(C)[C@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O 3955246 RHFNWKOXFCDWKK-ACJLOTCBSA-N 384.505 2.782 0 1 GFAF CC[C@H](C)CC(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 12195425 LLTKHVNWFVOTAA-KSFYIVLOSA-N 385.508 2.872 0 1 GFAF CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)Nc4cc(C)on4)cc3)C(=O)[C@H]21 13139172 MNXBSYVVUROKIR-OXXUSNJHSA-N 377.400 2.937 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]21C 14782106 BMPRGPGLZWJNOP-CSFMAXQQSA-N 378.465 2.897 0 1 GFAF endogenous,in-man CC(=O)N1CC[C@H]2[C@H]1C(=O)N(c1cccc(F)c1)C(=O)N2Cc1cccs1 25229189 IDMHHCRIJBNQMS-IRXDYDNUSA-N 387.436 2.845 0 1 GFAF biogenic COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccncc1)CC2 28009772 VQJJHBNJMWAOLA-UHFFFAOYSA-N 397.519 2.591 0 1 GFAF CNC(=O)[C@@H](N)Cc1cccc(-c2cc3nc(NC)c4ncc(C)n4c3s2)c1 28950794 MXCVCAHPICGSHU-AWEZNQCLSA-N 394.504 2.577 0 1 GFAF CN(Cc1nc2cccc(N3CCNCC3)c2[nH]1)[C@H]1CCCc2cccnc21 35950664 AIVVNDNIWAQWOH-SFHVURJKSA-N 376.508 2.877 0 1 GFAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2ccccc2)CC1 103225242 DEPLIXINVXNOOD-QHCPKHFHSA-N 395.547 2.656 0 1 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cnoc4-c4ccccc4)C[C@H]3C2)n1 116821749 YUZRTVCIPAHBMU-HDICACEKSA-N 389.459 2.957 0 1 GFAF Cc1ccc(-n2nc([C@H]3CCNC3)cc2NC(=O)c2cnn3cccnc23)cc1 142430470 OPKWCRLHNOCROL-HNNXBMFYSA-N 387.447 2.553 0 1 GFAF Nc1ncc(-c2ccc(C3(c4noc(N5CCC(O)CC5)n4)CCC3)cc2)cn1 149744339 JJVKVATVGFBOAC-UHFFFAOYSA-N 392.463 2.540 0 1 GFAF O=C(/C=C/c1ccccc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1 169312448 AARLYMRHCQVRJT-ZHACJKMWSA-N 384.443 2.640 0 1 GFAF O[C@@H]1CCN(CCOc2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 169708942 TVXSEYQIZAVRRR-YJYMSZOUSA-N 379.378 2.911 0 1 GFAF CO[C@H]1CC[C@H](C[C@@H]2COC(=O)[C@H]2C[C@H]2CC[C@H](O)[C@H](OC)C2)C[C@H]1OC 238754833 YYGRXNOXOVZIKE-QXKDGONPSA-N 384.513 2.562 0 1 GFAF CC1=C2C[C@H](O)[C@@H]3[C@@H](C)/C(=C\C(=O)OCCN(C)C)CC[C@H]3[C@@]2(C)CC[C@@H]1O 238759142 IACCOBWNMQUOBF-JDTHFHQYSA-N 391.552 2.922 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(OC)C[C@@H]12 523041672 CZMOHCGAILDDJJ-AKBSHIBUSA-N 378.465 2.897 0 1 GFAF biogenic CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586927124 UOIRSGAXXLBSHI-UHFFFAOYSA-N 397.456 2.667 0 1 GFAF COc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586945743 ATKCHJJHZQGTFH-OAHLLOKOSA-N 387.461 2.696 0 1 GFAF Cc1ccc(-c2nnc(SCc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)n2C)cc1 586964692 BPFVBSFWHVFPKY-UHFFFAOYSA-N 386.872 2.767 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587178084 PDEOKZMTZUUCCD-UHFFFAOYSA-N 399.245 2.777 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229891 KZNIIISZONMJMA-UHFFFAOYSA-N 379.445 2.884 0 1 GFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O 587651035 ZSJVTQSHWPNYHS-CQSZACIVSA-N 382.438 2.530 0 1 GFAF CC(C)c1ccccc1OCCN1CC(NS(=O)(=O)c2ccc(F)cc2)C1 653699946 VEDGZTHUZRJSLT-UHFFFAOYSA-N 392.496 2.991 0 1 GFAF CC[C@]1([C@@H](C)C(=O)OC)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623546 BPVXKSZXASHUJA-YRXQGLPXSA-N 375.343 2.599 0 1 GFAF CN1C(=O)C[C@H]2CN[C@](Cc3c[nH]c4ccccc34)(C(=O)O)c3cccc1c32 963034356 RFVHUKVFWKNMDY-XMHCIUCPSA-N 375.428 2.744 0 1 GFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(S(=O)(=O)N(C)C)cc1 963614137 WFLPXSKIYQZJCY-XCLFUZPHSA-N 390.505 2.578 0 1 GFAF Cc1ccccc1CN1CC2(C1)CN(c1cnnc(O)c1Br)C2 1857554987 FSOLWRXYFVHWJZ-UHFFFAOYSA-N 375.270 2.575 0 1 GFAF C[C@]1(O)CCN(Cc2ccncc2F)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356289517 WSLRIAZONWXYQC-SJBKTWHCSA-N 383.467 2.814 0 1 GFAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3Cc3ccc(C(=O)O)cc3)n2)=CN1 2356844054 PXKNPAXAYUXWFB-QGZVFWFLSA-N 394.455 2.656 0 1 GFAF Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NC1CCCC1 5058512 FABJJJQAYPSPMN-UHFFFAOYSA-N 380.441 2.763 0 3 GFAF Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)c3cnccn3)cc2c1 8578920 JHRMJTRTIBOYSV-GOSISDBHSA-N 392.459 2.756 0 3 GFAF O=C1[C@H]2C[C@@H](CN2C(=O)COc2ccccc2)Oc2ccccc2N1CC1CC1 2356290701 ZFQSSPYXHPMHKA-AZUAARDMSA-N 392.455 2.871 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100724910 MVELEQDHPIOVCZ-SLFFLAALSA-N 383.536 2.926 0 1 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)CCC1CCCC1 61903878 JPMSMRDFJSQGGC-IBGZPJMESA-N 396.484 2.592 0 3 GFAF C[C@]12[C@@H](O)C[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356506440 CSKIDXJFNAYMTR-JLLIVQJJSA-N 390.520 2.575 0 1 GFAF Cc1nc2ccccn2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 73297298 YUFAPQHGYPWKDY-UHFFFAOYSA-N 384.430 2.921 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H]3COC[C@H]3F)c2cn1)c1ccccc1 210788781 JVBCDEROAXMPTP-XFJVYGCCSA-N 384.415 2.989 0 1 GFAF CC(C)NC(=O)[C@]1(C)CSCC(=O)N1C1CCN(Cc2ccccc2)CC1 199231109 HFJOXZPQNHQWQT-NRFANRHFSA-N 389.565 2.510 0 3 GFAF O=C(N1CCOCC1)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)cc(F)c2)C1 199408007 PPPCVDIANOXWMB-APWZRJJASA-N 379.451 2.703 0 3 GFAF Cc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 95577428 YWMBSOPSEUFEGU-UHFFFAOYSA-N 381.827 2.926 0 1 GFAF C=Cc1c(C)nn(CCCN2CCCN(c3ccc(C)cc3)CC2)c(=O)c1N 473111571 AEKXQSWHKFPISU-UHFFFAOYSA-N 381.524 2.688 0 1 GFAF C/C=C/c1ccc(-c2cccc(CO[C@]3(C(=O)O)C[C@@H](O)[C@H](O)[C@H](O)C3)c2)cc1 299807713 GYDUJLBJHHFYQC-JKDYDRBWSA-N 398.455 2.603 0 1 GFAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C(F)(F)C1 587132028 HLWJYXLBWJWLTO-SECBINFHSA-N 394.378 2.863 0 1 GFAF CCOC(=O)[C@@H](C)[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962911213 YZUNVICECDNUBC-VZMUKZCBSA-N 377.437 2.929 0 1 GFAF Cn1ccc([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1=O 963187443 USGOGSYGGSHYOO-ABAIWWIYSA-N 386.757 2.746 0 1 GFAF COc1cccc2cc3c(nc12)[C@@]1(C=C(C)N(C2CC2)C=C1C(=O)O)NCC3 963046234 IQRJZZWQSVOAMY-QFIPXVFZSA-N 377.444 2.935 0 1 GFAF CCOC(=O)[C@H](C)[C@@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230312 XKCIZKIEFMUCDP-WQFPPAFTSA-N 396.365 2.791 0 1 GFAF CCN(C[C@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)S(C)(=O)=O 149596536 NWAJNYUYZADAOP-AWEZNQCLSA-N 382.432 2.715 0 1 GFAF O=C(O)C[C@@](O)(C[C@H](O)CCCCCn1ccc2cc(Cl)ccc21)C(=O)O 13781085 JEAOLDRXPIVSPY-BEFAXECRSA-N 397.855 2.897 0 1 GFAF C=CC(=O)N1CC[C@@H](n2cc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 1857542538 FDFIYCHWANQGQG-CQSZACIVSA-N 393.447 2.657 0 1 GFAF Cn1c(N2CCC(C)(N)CC2)nc(N)c(-c2cccc(Cl)c2Cl)c1=O 1857542570 MYVHJHFDMPHBRG-UHFFFAOYSA-N 382.295 2.654 0 1 GFAF COc1cc([C@H]2OC[C@@H]([C@@H](OC)c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 1857644789 KDVJSVPEOZSZGS-SORVUCRQSA-N 390.432 2.799 0 1 GFAF COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 4041894 BYAGHXIWVHNODW-TZIWHRDSSA-N 381.476 2.997 0 1 GFAF CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c1 4055223 VGJAMQQXZLGRKK-MJGOQNOKSA-N 388.851 2.939 0 1 GFAF COC(=O)c1ccc(Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)cc1 8605835 VRTLPAPLVRYMSD-UHFFFAOYSA-N 379.338 2.897 0 1 GFAF COc1cc2cc(-c3c(O)c(OC)cc4ccc(=O)oc34)c(=O)oc2cc1O 14556690 VASZAOYNXAEKGP-UHFFFAOYSA-N 382.324 2.995 0 1 GFAF biogenic CCC[C@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCc1ccccc1 26744387 APLONXQODRXDCE-VUVZNRFTSA-N 380.444 2.999 0 1 GFAF Cc1cc2nn(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)nc2cc1C 49808472 YMEKNVKFGJJVSA-LJQANCHMSA-N 384.390 2.506 0 1 GFAF CN1C(=O)[C@](c2cccc(-c3cncnc3)c2)(c2csc(Cl)c2)N=C1N 72183503 ABAOMGTVATUZIR-SFHVURJKSA-N 383.864 2.889 0 1 GFAF COc1ccc(Cn2cnc3c2C(=O)NC[C@@H](OC)N3Cc2ccccc2)cc1 96917335 XZTGGOGLZUIDPD-LJQANCHMSA-N 392.459 2.663 0 1 GFAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccnc4C(F)(F)F)C[C@H]3C2)n1 116825593 FEGRSJWBCANIGL-KBPBESRZSA-N 391.397 2.716 0 1 GFAF COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1OC 139155851 DNLBKTPXMZBOFK-UHFFFAOYSA-N 395.375 2.712 0 1 GFAF COc1cc(S(=O)(=O)c2ccc([C@H](C)O)cc2)cc2c3c(oc12)CCNC3 147530575 VXBLRROVYRJIDH-LBPRGKRZSA-N 387.457 2.973 0 1 GFAF O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3CO)nc12 149712995 RHFCOBKLSNCFAP-GOSISDBHSA-N 395.438 2.594 0 1 GFAF O=C(NN1CCCCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168329557 XQDCKWVQXJYZBM-UHFFFAOYSA-N 380.492 2.760 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccnc(OC)c4[nH]3)c2)o1 586923847 YJJCUAOKEBHOMY-UHFFFAOYSA-N 399.432 2.553 0 1 GFAF N=c1[nH]c2nc(Cc3csc(NC(=O)c4cccs4)n3)nc-2c(Cl)[nH]1 587019206 HKGZUBNDSBHRDK-UHFFFAOYSA-N 391.869 2.732 0 1 GFAF NC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144060 HVXOHUATLDXAQX-GFCCVEGCSA-N 377.217 2.806 0 1 GFAF CC(C)Oc1cc2nc(CCOCCOCCN)[nH]c2cc1Br 587245634 BSDJDJBNIYPAAT-UHFFFAOYSA-N 386.290 2.647 0 1 GFAF CN1CCN(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587599040 YNRFGTXBAJAFMF-UGKGYDQZSA-N 396.487 2.996 0 1 GFAF COC(=O)/C(=C/N(C)C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756269 QPKALWZLZIGICN-YGUVRBNJSA-N 385.277 2.956 0 1 GFAF Nc1nnc(CC[C@@]2(c3ccccc3)NCCc3nc4ccccn4c32)s1 962991976 WGWZSQVRXAGVID-FQEVSTJZSA-N 376.489 2.790 0 1 GFAF C[C@@H](O)Cc1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)n1 1772595656 KEDNYIUWWVFLPM-CYBMUJFWSA-N 380.423 2.718 0 1 GFAF O=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5067128 XUTLBYKAKTWHOR-SFHVURJKSA-N 395.484 2.704 0 3 GFAF CCc1ccccc1NC(=O)[C@@H](Cc1cccc(OC)c1OC)c1nn[nH]n1 5674482 QTWXICORQBEVBH-HNNXBMFYSA-N 381.436 2.744 0 3 GFAF C[C@H](NC[C@@H](O)CN[C@H](C)CCc1ccccc1)[C@@H]1COc2ccccc2O1 4023819 BEQAAXDTEYGDBU-YNQURBJZSA-N 384.520 2.776 0 1 GFAF biogenic O=P(O)(O)OCCOC1CCC(=CC=C2CCC(OCCO)CC2)CC1 6293081 OZTBGMTXOWWCDF-UHFFFAOYSA-N 390.413 2.859 0 1 GFAF in-vitro COc1ccc(-c2noc(N3CCC[C@H](C(=O)Nc4cccnc4)C3)n2)cc1 9118959 AGLIZYAOHDWDLZ-HNNXBMFYSA-N 379.420 2.995 0 1 GFAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)O)c1 10450415 DJEUDZPTYLCVHJ-NSHDSACASA-N 397.836 2.702 0 1 GFAF CCN(C(=O)[C@@H]1CCC=C1C(=O)NCc1ccc(C(=N)N)cc1)c1ccccc1 13493950 TYBOHAPHMIGLFE-HXUWFJFHSA-N 390.487 2.976 0 1 GFAF COc1c([C@@]2(O)COc3cc(O)cc(O)c3C2=O)ccc(O)c1CC=C(C)C 14648391 LMFCHRAKSGPODM-NRFANRHFSA-N 386.400 2.784 0 1 GFAF biogenic CC[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@@H]1CC(=O)N1CCC(O)CC1 25434108 WLWLZVFWPODUFR-HUUCEWRRSA-N 393.915 2.597 0 1 GFAF biogenic CC[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)cc3n21 27525680 ZLGFTTBBGWHGDS-CQSZACIVSA-N 377.441 2.605 0 1 GFAF CN(CCCc1ccccc1)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 28524114 AVNLNNOUFCZJOC-NRFANRHFSA-N 377.488 2.940 0 1 GFAF O=C(O)C[C@H](N[P@@](=O)(O)CNC(=O)OCc1ccccc1)c1ccccc1 29399423 OIWDLUFNGFJOBA-INIZCTEOSA-N 392.348 2.861 0 1 GFAF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccc(C(F)(F)F)cc3)ncc1CC2 49784152 HJKBVLZABNNRFO-UHFFFAOYSA-N 388.353 2.837 0 1 GFAF COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C1=CCC(=O)N(C(F)F)C1 64549100 OSVAIIKSAAXQGJ-UHFFFAOYSA-N 392.358 2.607 0 1 GFAF COCCN(CCCF)c1nc(C)nc2c(-c3ccc(OC)nc3)c(C)nn12 71330092 BLOMLVIWSNVQDS-UHFFFAOYSA-N 388.447 2.624 0 1 GFAF CCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc(C)c1 82145022 KWXSKPDWNPDEPY-QGZVFWFLSA-N 395.507 2.684 0 1 GFAF Cn1c(OC[C@@H]2CCN(c3ccsc3)C2)nc(-c2ccncc2F)cc1=O 146504819 MXYNEGBCQKVKQT-CYBMUJFWSA-N 386.452 2.948 0 1 GFAF CN(C)CCOc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 169726094 UWCXUAJDHXYHCN-QZTJIDSGSA-N 379.485 2.858 0 1 GFAF Cc1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(=O)oc2c(C=O)c(O)ccc12 221058063 JHTMPGWOWOCSIF-UHFFFAOYSA-N 393.395 2.759 0 1 GFAF Cc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 254121255 ZPKWWRSEUAPMJU-ZVGUJKQYSA-N 395.846 2.547 0 1 GFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 586941831 XAAGGECPNFSQKB-VOTSOKGWSA-N 383.433 2.544 0 1 GFAF COc1cc(Br)c([C@@H](N)c2nc3cc(F)cnc3[nH]2)cc1OC 586977157 YMOSDFRUTHUFEP-CYBMUJFWSA-N 381.205 2.925 0 1 GFAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cncnc2[nH]1 587109590 ZRDZCGXDXSKKQM-LBPRGKRZSA-N 397.382 2.898 0 1 GFAF COC(=O)c1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn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c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3 2356672632 RJDBEBSQZKELFD-OALUTQOASA-N 380.352 2.820 0 1 GFAF O=C(NC[C@@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1ccncc1 2356677992 MKEUSUGTEPNJHZ-CYBMUJFWSA-N 376.338 2.951 0 1 GFAF CCCCCc1cc(O)c(CCCC)c(O)c1[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O 2356727311 BXDSSSHSCHNSBQ-QBFXCGHZSA-N 382.497 2.716 0 1 GFAF COc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)N2CCCN(C)CC2)cc1C 12201706 BQWJSUQMKWXLSN-FQEVSTJZSA-N 385.552 2.770 0 1 GFAF CCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cccc(OC)c21 12237970 ZTTIICUFHXUACO-HNENSFHCSA-N 390.486 2.633 0 1 GFAF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Cc1ccccc1 13446648 JSRPPNHORAJQLL-FQEVSTJZSA-N 375.428 2.512 0 1 GFAF O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)C(=O)c1c[nH]c2ccc(Cl)cc12 27556595 LDONMJLBYXFQJN-MRXNPFEDSA-N 386.791 2.522 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 31357251 JNTNUSUPTSNMNJ-AULARHRYSA-N 388.504 2.783 0 1 GFAF biogenic O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2n1 38590070 VLZQIWLNRAJLAZ-UHFFFAOYSA-N 395.894 2.835 0 1 GFAF 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587386658 LCJIHBQGUNFDNV-NSHDSACASA-N 383.189 2.622 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1 587136066 AYXOSTKAJYCUBF-UHFFFAOYSA-N 377.445 2.564 0 1 GFAF COc1cc(C(=O)N[C@H](C)CO)ccc1OC1CCN(C2CCCC2)CC1 11662035 INHSEOYGXYOKAO-OAHLLOKOSA-N 376.497 2.592 0 1 GFAF CN(CCc1ccccn1)CC[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)O 12480774 VFRYVLCZPPOAOB-ROUUACIJSA-N 399.491 2.792 0 1 GFAF biogenic COc1ccc([C@@H](C)NC(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 169299482 QXDNINQOTQLSMY-RUERPSORSA-N 380.444 2.901 0 1 GFAF O=c1n2c(c(O)n1S(=O)(=O)c1ccc3ccccc3c1)Cc1ccccc1C2 169692735 GIVNZXGERUKOMV-UHFFFAOYSA-N 392.436 2.698 0 1 GFAF CNc1nn2c(C)cc(-c3ccncc3)nc2c1S(=O)(=O)c1ccccc1 169699838 FLMBPFVSVIWLEY-UHFFFAOYSA-N 379.445 2.974 0 1 GFAF Cc1nnc(NS(=O)(=O)c2ccc(-c3sc(S)nc3O)cc2)s1 169715198 DAWJOTVOQPJCCJ-UHFFFAOYSA-N 386.505 2.765 0 1 GFAF COc1ccc2c(c1)O[C@H]1Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)[C@@]21O 2356396232 FIMAXIYZYKLKSA-SFTDATJTSA-N 384.384 2.797 0 1 GFAF CC(=O)O[C@@H]1[C@H](O)[C@H](C)[C@]2(CC[C@]3(CO[C@H](O)C3)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356403041 XUFKRKJXYWRSRT-LUKCVOBHSA-N 396.524 2.788 0 1 GFAF CCc1ccc(S(=O)(=O)c2cn(C)c3cc(OC)c(OC)cc3c2=O)cc1 6738920 ABCFBWYGBWLYDP-UHFFFAOYSA-N 387.457 2.951 0 3 GFAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccncc1 2356302566 ZENKZFSDFRRVRC-ZJOUEHCJSA-N 393.443 2.618 0 1 GFAF COc1ccc([C@@H]2C3=C(O)OCC3=Nc3c2c(O)nc(=O)n3CC(C)C)cc1 103663281 KUTHYPIZRGNPNI-CQSZACIVSA-N 383.404 2.631 0 1 GFAF CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC[C@H]2C(=O)OCCO[N+](=O)[O-])cc1 103284237 FLLBPVMOJOZHOR-QAPCUYQASA-N 392.452 2.731 0 1 GFAF COc1cccc(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1F 114005501 GQVNLDQKGBHOIC-UHFFFAOYSA-N 395.394 2.981 0 1 GFAF CCS(=O)(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 20289803 DEVUKPIITHAFLP-QFBILLFUSA-N 393.578 2.939 0 1 GFAF CCCC(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 61896045 HETGSBPKIFSBDT-IBGZPJMESA-N 380.510 2.580 0 3 GFAF CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCCC1 82082301 OFUCUKYBGMUIOO-GOSISDBHSA-N 399.447 2.837 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc(C)c2)n1 82160098 WLBZNCWZFNBRAS-UHFFFAOYSA-N 383.496 2.728 0 1 GFAF CC(C)C[C@H]1Oc2ccc(-c3cncnc3)cc2[C@@]2(COC(N)=N2)C12COC2 220716369 QQPOTGIGKATGCB-NQIIRXRSSA-N 380.448 2.508 0 1 GFAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1cccnc1)C1CCCC1 95871848 XQMDQACQSHSLRS-YPAWHYETSA-N 379.504 2.717 0 1 GFAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncc(F)cn3)C[C@H]2CS1 146170263 ALCLTLZWLVVXCX-YCELRVBUSA-N 380.395 2.929 0 1 GFAF CCN(CC)CCN(C)c1ccc(CO)c2c1C(=O)c1ccccc1[S@]2=O 254074719 DKFBADJXESVXLK-HHHXNRCGSA-N 386.517 2.668 0 1 GFAF Nc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1N 586970011 ROKFNWMCBDNQLA-UHFFFAOYSA-N 382.405 2.798 0 1 GFAF COc1cc(Br)c([C@@H](N)c2nc3c(Cl)ncnc3[nH]2)cc1OC 586974931 HFECVHHUTULVKY-SNVBAGLBSA-N 398.648 2.834 0 1 GFAF O=S(=O)(c1ncccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1)C(F)(F)F 587127036 LAJOOVSENZDOHH-UHFFFAOYSA-N 397.260 2.679 0 1 GFAF CC(=O)OCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587762027 WTJKRVUKTCOWTH-BMLIUANNSA-N 396.260 2.971 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1c(I)cnn1C)[C@@H](C2)C3=O 587428304 NPGHTMZZDZGSEG-VFZGTOFNSA-N 396.184 2.522 0 1 GFAF C[C@H](O)Cc1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)n1 1772611216 KEDNYIUWWVFLPM-ZDUSSCGKSA-N 380.423 2.718 0 1 GFAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCCOC2)c1O 1772648552 CNOJOAOTZIGTKX-SNVBAGLBSA-N 376.862 2.528 0 1 GFAF COc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 169686039 DFMVDXRXZFVYQK-KBPBESRZSA-N 399.453 2.764 0 1 GFAF O=C(N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O)c1ccncc1 13835622 WSGJYHTZWBITFF-NRFANRHFSA-N 382.423 2.578 0 1 GFAF CC[C@]12C=CCN3CCc4c(n(c5c(OC)cccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 14829355 HXLJZBYCWRILKD-BVSLBCMMSA-N 382.460 2.737 0 1 GFAF biogenic COc1ccc(CN(CCc2ccc(NS(C)(=O)=O)cc2)C(C)=O)cc1 26749770 TZCVDFMUSBTBIY-UHFFFAOYSA-N 376.478 2.658 0 1 GFAF COc1ccccc1N1CCN(CCOc2ccc3c(c2)NC(=O)CS3)CC1 27523577 UEPLQEKCOOGMMA-UHFFFAOYSA-N 399.516 2.940 0 1 GFAF CC(C)(C)OC(=O)NCCCCNC(=O)C[C@@H]1CC(c2ccc(O)cc2)=NO1 34633591 SDSVEMLPYFFBLM-INIZCTEOSA-N 391.468 2.696 0 1 GFAF Cc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NC(C)C 43553271 CWRWQTRDMVLOPB-QTAXSFQDSA-N 380.554 2.782 0 1 GFAF biogenic NC(=O)c1ccsc1NC(=O)Cc1ccccc1I 71329450 HIVANCGVXVVVLQ-UHFFFAOYSA-N 386.214 2.633 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc(F)cc3)C[C@@H]21 95894389 COQCCZHPEFFMAY-XUVXKRRUSA-N 397.450 2.734 0 1 GFAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCOc1ccc(C(F)(F)F)cc1 96933064 GZFFICOVDLXSHT-INIZCTEOSA-N 399.413 2.881 0 1 GFAF Cc1cc(C)c2c(n1)[nH]n1c(=N)c(C(=O)Nc3nc4ccccc4s3)nnc21 101667480 OXWVLECUOULOKA-UHFFFAOYSA-N 390.432 2.564 0 1 GFAF COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12 113652902 DURNYYKOVXELMP-UHFFFAOYSA-N 394.460 2.871 0 1 GFAF Cc1onc([C@@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC(C)C)cn1 169685424 QOUJVWJBFJLZDL-ZBFHGGJFSA-N 376.432 2.858 0 1 GFAF Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cn2)c2c(N3CCC3)ncnn12 169697310 CSENBHMOZDDBTJ-UHFFFAOYSA-N 380.843 2.759 0 1 GFAF C[C@]1(c2cc(NC(=O)c3ccc(OCF)cn3)ccc2F)N=C(N)OC[C@@H]1F 169702941 NTRJCURAORAYRG-MAUKXSAKSA-N 394.353 2.677 0 1 GFAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F 216200960 MTLBFICNPHIMDF-UHFFFAOYSA-N 378.853 2.584 0 1 GFAF CC[C@H](O)[C@H](O)C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO 238762332 YTWKAWSYURUHGL-LXTJUJQXSA-N 386.529 2.638 0 1 GFAF NS(=O)(=O)c1ccc(CCc2nc3cccc(Br)c3[nH]2)cc1 586930000 KSRIYBBSEWEQSP-UHFFFAOYSA-N 380.267 2.758 0 1 GFAF COc1nccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c12 586936854 NWZSRTIZKXNSFB-CQSZACIVSA-N 392.506 2.739 0 1 GFAF CCCOc1cc2nc(CCOCCOCCN)[nH]c2cc1Br 587246286 OQHLLMMXTZPUQB-UHFFFAOYSA-N 386.290 2.649 0 1 GFAF COC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587441261 SCHMGTUWMAHPLJ-SPLOXXLWSA-N 384.384 2.744 0 1 GFAF CCOC(=O)/C(=C/N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571826 MNNGLVUXYTYMST-KJQCKKKXSA-N 383.400 2.731 0 1 GFAF Cc1c(O)ccc2c1[C@]1(CCC[C@@H]1CNC(=O)OC(C)(C)C)N[C@H](C(=O)O)C2 963471338 NUPSCCIXOMOUNL-LRAJWGHMSA-N 390.480 2.820 0 1 GFAF OCc1cc2nc(N3CCOc4ccccc43)nc(N3CCOCC3)c2s1 1772637212 FDJMFUPBFCVPKM-UHFFFAOYSA-N 384.461 2.551 0 1 GFAF CC(C)C1(C(C)C)NC(=O)N(CN2CCN(c3ccc(F)cc3)CC2)C1=O 1857545986 XSWPMQOMJZCYNT-UHFFFAOYSA-N 376.476 2.508 0 1 GFAF CC=C1CN2[C@H](OC)C[C@@]34C(=Nc5c(OC)cc(OC)cc53)[C@H]2C[C@H]1[C@H]4C(=O)O 2356494935 XYBVYJHXXUTYAN-WZEFODBPSA-N 398.459 2.755 0 1 GFAF O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(N3CCSCC3)ccc21 96020558 QELLTEFJGYRFLQ-MRXNPFEDSA-N 390.530 2.522 0 3 GFAF Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2Cc1ccc(Cl)cc1 2485210 ADYVOQKXTKBNLJ-UHFFFAOYSA-N 395.850 2.737 0 1 GFAF N=C(NCCCc1c[nH]cn1)NC(=O)C[C@@H](c1ccccc1)c1ccccn1 40899796 XPEMILVWHHWGBE-SFHVURJKSA-N 376.464 2.600 0 1 GFAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)c1ccco1 43526999 HPFQUDSAXOSSGU-HLAWJBBLSA-N 379.504 2.778 0 1 GFAF biogenic O=C(c1cnsn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 64573351 GLQAZINVOQYMEQ-UHFFFAOYSA-N 392.912 2.699 0 1 GFAF CCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccccc2OC)CC1 66066567 RFWXEJYULOPPSR-UHFFFAOYSA-N 392.459 3.000 0 1 GFAF Oc1cccc(-c2cc(NCCc3ccccn3)nc(N3CCOCC3)n2)c1 66252299 CXHWACFUYFVHNL-UHFFFAOYSA-N 377.448 2.735 0 1 GFAF CNC(=O)c1cn2c(-c3ccc(OC)cc3)nc3c(NC)c(F)cc(c1=O)c32 101704925 CTVWCTAUAFYIOO-UHFFFAOYSA-N 380.379 2.502 0 1 GFAF O=C1COc2ccc([C@]3(O)c4ccccc4C(=O)N3c3cccc(O)c3)cc2N1 116254610 ZIWAPRHNXHFNHQ-QFIPXVFZSA-N 388.379 2.577 0 1 GFAF Cc1cccnc1-c1cc(N2CCC(CNS(C)(=O)=O)CC2)ncc1Cl 146852090 NAFXJLDKWAEQQL-UHFFFAOYSA-N 394.928 2.871 0 1 GFAF CC(=O)O[C@H]1CC[C@@]2(C)C[C@]23CC[C@H]2C[C@@](C)([C@H](O)CO)C[C@@H](O)[C@]2(C)[C@@H]13 238766140 ZSNIMPKKVQQYAC-RNOWWLKFSA-N 380.525 2.655 0 1 GFAF COc1ccc(-c2oc(C)nc2C)cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1 299834349 SQJOFJIMEYBNGW-SHTZXODSSA-N 380.466 2.549 0 1 GFAF CCOC(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 586952018 AJUZGQJDDJZFIL-UHFFFAOYSA-N 379.482 2.738 0 1 GFAF COc1cc2c3c(c1)O[C@@](c1ccc(N4CCCCC4)cc1)(C(O)O)[C@@H](C2)C3=O 587441272 FLVHIIIYGNMORG-FDDCHVKYSA-N 395.455 2.639 0 1 GFAF CCn1c2c(c3cc(C(=O)O)ccc31)CCc1cc3c(O)nc(O)nc3nc1-2 587557944 NFXBOCGAPIRXCX-UHFFFAOYSA-N 376.372 2.874 0 1 GFAF COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCN 1772644503 CPNKKQNFAYJGSS-UHFFFAOYSA-N 391.541 2.695 0 1 GFAF CCn1cc(-c2n[nH]c(NC(=O)c3ccc(F)cc3)n2)c(=O)c2ccc(C)nc21 1857556751 SDPKTQFQWZBZGL-UHFFFAOYSA-N 392.394 2.901 0 1 GFAF COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CCC(=O)CC[C@@H](O)CC(=O)C2 2356821267 FYSVSOAMDIXBBX-ZYHUDNBSSA-N 398.839 2.605 0 1 GFAF O=C(NC[C@H]1CCCN(C(=O)NCc2ccccc2)C1)c1ccc2c(c1)OCO2 11953404 PQBSTFDUJAUNBO-QGZVFWFLSA-N 395.459 2.767 0 3 GFAF CCN(CC)CCn1c(-c2ccccc2)nc2c(N3CCOCC3)nc(C)nc21 7991867 BILWQMIGXVVHDY-UHFFFAOYSA-N 394.523 2.980 0 1 GFAF CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2ccccc2)CC1 103229719 FXEKOZSZGNWFIV-UHFFFAOYSA-N 398.484 2.837 0 1 GFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(O)n(-c2ccccc2F)n1 101564248 IEDAIKJCQCZLIQ-HNNXBMFYSA-N 383.379 2.971 0 1 GFAF O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2ncnc3c2cnn3-c2ccccc2)C1 103958925 QWYGLTNELAHRCK-HZPDHXFCSA-N 384.443 2.601 0 1 GFAF Cc1cnc(NC(=O)C2=C(O)c3ccc(Cl)cc3S(=O)(=O)N2C)s1 28098542 BNFQYEGYMWNJIO-UHFFFAOYSA-N 385.854 2.604 0 1 GFAF NS(=O)(=O)c1ccc(CCNc2ccn3nc(-c4ccccc4)cc3n2)cc1 61904671 YAKIQPHYCRONGL-UHFFFAOYSA-N 393.472 2.698 0 3 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)CC1CCCC1 61902239 HGTUXNPRTXTMNF-SFHVURJKSA-N 398.912 2.716 0 3 GFAF O[C@@H](CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 64539940 LKDUKYSSAMAXEU-INIZCTEOSA-N 384.505 2.690 0 1 GFAF C[C@@H](O)[C@@H]1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)C1 225553878 PKMNBMNENSNPSE-UKRRQHHQSA-N 389.463 2.628 0 1 GFAF Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cccnc4C)cn23)n1 95555206 LFOJPPGMFCXNEE-UHFFFAOYSA-N 398.434 2.914 0 1 GFAF O=C1c2ccc(O)cc2O[C@@]2(CC[C@H]3[C@H]2CN[C@H]3C(=O)O)[C@@H]1c1ccc(F)cc1 587346286 LNIQUHIVAHASQO-OMNPOQOLSA-N 397.402 2.712 0 1 GFAF O=C(c1n[nH]cc1I)n1nc2cc1Oc1ccc(F)cc1-2 587874217 XOZBVIKXZQJEJE-UHFFFAOYSA-N 396.119 2.811 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2nc[nH]n2)N1 587792548 OTAGVGPRIWGEQE-QGHHPUGFSA-N 388.244 2.927 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C)C1=NCCS1 963146362 NAMGPTATPKUPSO-QFYYESIMSA-N 383.495 2.750 0 1 GFAF CCn1nc(C)c([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1 962925088 XXDAVUSWTUPDCU-ICSRJNTNSA-N 394.431 2.793 0 1 GFAF CC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nnc1N1CCOCC1 1857638689 NRXDUUWPTAOKES-UHFFFAOYSA-N 384.524 2.991 0 1 GFAF CN(C)Cc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3C3CC3)ccc2n1C 142954723 DXYYDYSKZKOKMB-UHFFFAOYSA-N 381.432 2.876 0 1 GFAF Cc1nc(O)nc(S)c1C(=O)NC1[C@H]2CCCC[C@H]2N[C@@H]2CCCC[C@@H]12 17256215 ABTZKNNKLUKWHH-RQPOKHFESA-N 376.526 2.599 0 1 GFAF CC(C)[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](COC(C)(C)C)C(=O)N21 26960795 BMEMIDCWPDBZLO-ZIFCJYIRSA-N 383.492 2.932 0 1 GFAF CCOC(=O)/C(=C/c1ccc(O)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 66080259 UAEMUTRJXTULAX-LFIBNONCSA-N 376.430 2.908 0 1 GFAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(F)c(F)c3)C2)CC1 73159226 IJQXDFSCRFNWAM-OAHLLOKOSA-N 395.450 2.780 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 95796644 AWLFNFDCGKZKJX-HZPDHXFCSA-N 385.430 2.573 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)C(=O)NC2CCCC2)cc1 95895756 HQXBDHRGIAAEDE-CLUXDEMPSA-N 399.535 2.979 0 1 GFAF CCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]2(C)CCc1ccccc1 96909516 CCYYRIRDVPAGJO-JPYJTQIMSA-N 398.503 2.569 0 1 GFAF COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cnccn5)C[C@@H]3N4)cc2)cc1 100108029 NAGSQVHNDMUYLK-ZBYYUNFXSA-N 386.455 2.732 0 1 GFAF Cc1ccc2nc(Sc3nnc(-c4cccnc4)o3)c3nnc(N)n3c2c1 103206996 BJEASXPLCSRDAL-UHFFFAOYSA-N 376.405 2.764 0 1 GFAF CC1=C(C)C(=O)N(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O 139688030 POIBLRBHRDKEJN-UHFFFAOYSA-N 381.407 2.588 0 1 GFAF COC(=O)/C=C/c1ccc(OC(=O)C[C@H](C)OC(C)=O)c(/C=C/C(C)(C)O)c1 238780786 JOCMICFBSDGOAQ-NXFAGNFXSA-N 390.432 2.904 0 1 GFAF CCOC(=O)[C@H](CCc1ccccc1)S[C@H](C)C(=O)N1CCC[C@H]1C(=O)O 253634709 JFGSPCGBBXYKKA-PVAVHDDUSA-N 393.505 2.748 0 1 GFAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc[nH]c(=N)c2[nH]1 586935602 FKYASUUZCHHXGZ-CYBMUJFWSA-N 379.873 2.699 0 1 GFAF N=C(N)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144290 KZHICFMTSJNSLY-LBPRGKRZSA-N 376.233 2.991 0 1 GFAF Nc1cccc(C(=O)O)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587248745 VLIPQRWCSQWGBC-UHFFFAOYSA-N 376.376 2.570 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588496 KWQKFLRQYADXFI-ACJLOTCBSA-N 396.355 2.701 0 1 GFAF COC(=O)[C@]1(C)COCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587832793 CYDCJPDIUKYVPY-GPNNCHTKSA-N 386.261 2.917 0 1 GFAF C[C@]1(c2cc(O)ccc2N)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962659518 FQTXWYUTBCANIA-FGZHOGPDSA-N 377.444 2.885 0 1 GFAF CC(C)c1nn(C)c2c1[C@](C)(CCCN1C(=O)c3ccccc3C1=O)NCC2 962905403 DQTCDGRJFRVULU-QFIPXVFZSA-N 380.492 2.981 0 1 GFAF CCn1ncc2cc3nc(c21)CCCO[C@@H](CO)[C@@H](c1ccccc1)NC(=O)N3 1772587289 ILQXAAGAKNRVJZ-PKOBYXMFSA-N 395.463 2.638 0 1 GFAF O=C(CNCCCc1ccccc1)Nc1ccc2nc3n(c(=O)c2c1)CCC3 1857638977 QUSVCPDTRANDHH-UHFFFAOYSA-N 376.460 2.504 0 1 GFAF COc1ccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2O)cc1 2356320615 VYAYILQKLCEELC-MLHJIOFPSA-N 395.377 2.722 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2ccc(Cl)cc12 3591478 PPILNZIIFRDGQQ-UHFFFAOYSA-N 395.846 2.989 0 1 GFAF CC[C@H]1C[C@H]2N3CC[C@]4(O)C(=Nc5ccc(OC)cc54)[C@@]2(C(=O)OC)C[C@H]1C3 2356518801 CKWXDLJHOHJWOX-IFMAQRSRSA-N 384.476 2.652 0 1 GFAF O=C1c2ccccc2-c2onc3c2[C@H]1[C@H](NC1CCCCC1)C=C3NCCO 101414610 WZYDCGZTCKJLKJ-SJLPKXTDSA-N 379.460 2.849 0 1 GFAF COc1cc2c(cc1OC)[C@@]1(C)C(=O)c3cc4c(cc3[C@H]1N(C)C2=O)OCO4 28524058 YDHMVJMARJXLAH-WIYYLYMNSA-N 381.384 2.713 0 1 GFAF CCCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26502368 OSFBWGGLZKVPHN-INIZCTEOSA-N 378.494 2.998 0 1 GFAF COc1ccc(Oc2ccc(S(=O)(=O)Cc3cccn(O)c3=O)cc2)cc1 29130142 WKRVNRRBAKSSCD-UHFFFAOYSA-N 387.413 2.860 0 1 GFAF COc1ccc(CCNC[C@@H](O)COc2ccc(-c3ncco3)cc2)cc1OC 26017612 FQYFINCLEJASOP-GOSISDBHSA-N 398.459 2.931 0 1 GFAF CC[C@H]1CC[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc3ccccc23)C1 28892092 HFCVJZGCTXOFHH-AOIWGVFYSA-N 390.549 2.990 0 1 GFAF CCn1/c(=N/C(=O)c2ccc3cc4n(c3c2)CCCNC4=O)[nH]c2ccccc21 73221631 NRGYMIVHSWOTKI-UHFFFAOYSA-N 387.443 2.819 0 1 GFAF COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82086166 QRBBVTJVAGMEBS-OAHLLOKOSA-N 386.429 2.891 0 1 GFAF COc1ccc(CN2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]3NCC[C@@H]32)cc1 25228927 OPJRQROUEXPUJC-VQTJNVASSA-N 393.443 2.597 0 1 GFAF biogenic Cc1nccc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 587002758 NPXJXHGLQYSZRI-UHFFFAOYSA-N 387.237 2.997 0 1 GFAF CN1CCN(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587592685 IOEFRXSELHVQIJ-UGKGYDQZSA-N 382.460 2.750 0 1 GFAF COC(=O)c1cccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587201754 CCWGSXVWUBFANO-OAHLLOKOSA-N 397.387 2.792 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)/C=C\C(=O)O)cc1)[C@@H](C2)C3=O 587433792 WPKLUOSGNNBDFW-MBOLGOQCSA-N 393.395 2.937 0 1 GFAF Cc1c(I)cnn1[C@H](C)c1nc2nc(Cl)c[nH]c-2n1 587183111 VMULBIKYQKRIOR-ZCFIWIBFSA-N 388.600 2.677 0 1 GFAF COC(=O)c1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2n1 587094160 LHKSWDHQHVXSKM-AWEZNQCLSA-N 386.355 2.502 0 1 GFAF CCOC(=O)[C@H](C(F)(F)F)[C@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963231804 ZEYHHXZFVRXEKV-RLFYNMQTSA-N 396.365 2.791 0 1 GFAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)O)[C@H](C)[C@@H]3[C@@H](O)C(=O)[C@@H]12 164978530 AKJOHBVQTUCYSB-VVSDSEEMSA-N 378.465 2.589 0 1 GFAF O=C(Nc1ccccc1)C1=COC2=NC(=O)N(Cc3ccc(F)cc3)CCN12 205233229 GSAYLQYFVWJMFE-UHFFFAOYSA-N 380.379 2.930 0 3 GFAF Cc1ncc(-c2nc(=N[C@H]3CCC(F)(F)C3)[nH]c(=N[C@H]3CCC(F)(F)C3)[nH]2)[nH]1 1857656333 WXUIXALGZVQUGH-QWRGUYRKSA-N 399.396 2.613 0 1 GFAF CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCO)cc1 4152175 YJJJWZRZUODGAE-FPOVZHCZSA-N 398.459 2.684 0 1 GFAF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205705 XSPGLZYRJJSRHE-MJGOQNOKSA-N 388.851 2.557 0 1 GFAF CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@H](OCCC(C)C)C1 13450279 GPPOIHPRUJCQTN-ICSRJNTNSA-N 393.504 2.904 0 1 GFAF COc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1 13839370 SAEHJLWUBHWWAI-UHFFFAOYSA-N 378.476 2.617 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C\C(=O)O)cc3[C@@H]2C(=O)O)ccc1O 15153040 JTHPLBUVRLOJBB-ZKCZIEJHSA-N 386.356 2.809 0 1 GFAF endogenous,in-man COc1cc(C2=NN(C(N)=O)[C@H](c3ccc(C)cc3)C2)ccc1OCC(=O)O 28713544 HEKVOBCVCRDJMR-INIZCTEOSA-N 383.404 2.697 0 1 GFAF O=C(O)[C@@H]1CN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1 64447275 AYWYOYAKLYFQAR-SSPYTLHUSA-N 376.500 2.982 0 1 GFAF CS(=O)(=O)N1CCC([C@](O)(c2ccc(Cl)cc2)c2cccnc2)CC1 72103153 JJZCZBVWCVYBTR-GOSISDBHSA-N 380.897 2.643 0 1 GFAF O=C(O)C[C@H]1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc21 73198834 JIYOUJVUEXKGMY-JTQLQIEISA-N 385.363 2.867 0 1 GFAF CN1CC[C@]23c4c5ccc(NCc6cccc(O)c6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 84669460 FJGKBJIDYMKFRE-UPQYSNQFSA-N 390.483 2.810 0 1 GFAF C[C@]1(c2cc(NC(=O)c3ncc(Cl)cn3)ccc2F)N=C(N)OCC1(F)F 95604170 CZXDOHMWCZCKBD-OAHLLOKOSA-N 399.760 2.717 0 1 GFAF O=C1CCCN1CCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 98083430 IKJUTZUFTFGUMS-JQBYJRRVSA-N 386.451 2.501 0 1 GFAF Cc1csc(-c2nc(C(=O)NCCCCC(=O)NO)c(C3CC3)s2)n1 147365090 XBZQADSWPXBGTG-UHFFFAOYSA-N 380.495 2.858 0 1 GFAF CN(C)c1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311442 VOTXOQTXELYMHT-UYAJJBPWSA-N 391.537 2.730 0 1 GFAF Cn1cc(-c2cc3c(-c4cccc(N5CCCC[C@H](N)C5)n4)n[nH]c3cn2)cn1 205254287 GZYQOEDEZRBOFO-HNNXBMFYSA-N 388.479 2.738 0 1 GFAF CC[C@@]1(C)CN(C(=O)CN2C[C@@H](C)NC[C@@H]2COC)c2cc(Cl)ccc21 205484568 RQHFOWITPJFASQ-KKVAFCGZSA-N 379.932 2.663 0 1 GFAF CC[C@H]1C[C@H]2CN3CC[C@]4(Nc5ccc(OC)cc5C4=O)[C@](C(=O)OC)(C2)[C@H]13 238752231 ZZJBUKQZGMCYEE-BZSJDKIMSA-N 384.476 2.726 0 1 GFAF O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CN1C(=O)c2ccccc2C1=O 299848338 LRPSJAPNXHWPGP-ZTFGCOKTSA-N 398.459 2.555 0 1 GFAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 299884243 SSFJQRCRWPWGQK-IRFCIJBXSA-N 381.476 2.732 0 1 GFAF O=C(O)CCC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351492 KARMBSWNOVHXLS-YLJYHZDGSA-N 388.347 2.969 0 1 GFAF CCn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2N2CCOCC2)c(C)n1 587650977 XSLIARVQJMQNGN-UHFFFAOYSA-N 388.493 2.600 0 1 GFAF O=C(O)c1cc(O)n(-c2cc(Br)cnc2Br)c1O 587940912 QHILEUMAKAQYLV-UHFFFAOYSA-N 377.976 2.507 0 1 GFAF COc1cc2ccncc2cc1OC(=O)CCN1C(=O)NC(=O)[C@H]2CCCC[C@H]21 618016144 STBJOJXXQQBKHS-JKSUJKDBSA-N 397.431 2.650 0 1 GFAF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](C)(CO)N2C(=O)OC(C)(C)C 962713483 MVSLEJDEDQGUFF-VQTJNVASSA-N 379.428 2.684 0 1 GFAF O=C1Nc2ccc(C(=O)N[C@H](CO)Cc3ccccc3)cc2/C1=C/c1ccc[nH]1 1772612145 PJCPSQMZDDTRCV-YNGKYYQNSA-N 387.439 2.841 0 1 GFAF FC(F)(F)c1cc(-c2ccc(I)cc2)nc2nnnn12 1857551076 WMFSVECNEABPQY-UHFFFAOYSA-N 391.094 2.810 0 1 GFAF CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)cc1 4054933 YABXQEQNSCSLAS-MJGOQNOKSA-N 388.851 2.939 0 1 GFAF CCCS(=O)(=O)NCCc1cc(CCC(=O)O)cc(Cc2cccnc2)c1 13765919 NEWMAOXVMHXXRT-UHFFFAOYSA-N 390.505 2.562 0 1 GFAF O=c1c2c3c(sc2nc(CN2CCNCC2)n1-c1ccccc1)CCCC3 19367603 ZVWVSENURKSMAZ-UHFFFAOYSA-N 380.517 2.731 0 1 GFAF Cc1ccc(NC(=O)Nc2nc(N(C)C)nc3nc(-c4ccco4)nn23)cc1 49115012 QPLYILIGJGWUDW-UHFFFAOYSA-N 378.396 2.798 0 1 GFAF NS(=O)(=O)c1cc(C(=O)CSc2nc3ccccc3[nH]2)ccc1Cl 64526424 IOGPBPHFHWRISB-UHFFFAOYSA-N 381.866 2.839 0 1 GFAF O=C1c2cc3c(cc2OCN1CCc1cccc(F)c1)C(=O)N1CCC[C@H]1O3 72127949 ZIKNBGOCKMBXMD-LJQANCHMSA-N 382.391 2.815 0 1 GFAF Brc1ccccc1-c1nc(CNCCCN2CCOCC2)co1 72184364 FITNVTXLABKBGD-UHFFFAOYSA-N 380.286 2.916 0 1 GFAF c1cn(-c2nsc(N(CCCNCc3ccc4c(c3)OCO4)C3CC3)n2)cn1 73158531 KWJNUJWVPOSTGG-UHFFFAOYSA-N 398.492 2.601 0 1 GFAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21N=C(N)N(C)C1=O 140540631 RVLIRWFNCYASBC-ZTUNLMCQSA-N 392.297 2.563 0 1 GFAF CC(C)N1CCN(C(=O)O[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1 223475409 PKJXWHAOERGKFE-OAHLLOKOSA-N 386.418 2.842 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 586952322 IGJKMVBGHGYTQV-UHFFFAOYSA-N 387.408 2.804 0 1 GFAF Nc1ncnc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc12 587170561 QJASFTOLCNYAMR-UHFFFAOYSA-N 390.425 2.604 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12 587175955 DBDOVVWZQSKJCU-UHFFFAOYSA-N 385.424 2.750 0 1 GFAF CCn1cc(Cl)c([C@]2(CC(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587418559 BZNNTMOTYUYORN-CWTRNNRKSA-N 390.823 2.771 0 1 GFAF Nc1nc(Cl)c2cnn(Cc3cc4c(cc3Br)OCO4)c2n1 1772599969 BIABSXPPEYWVER-UHFFFAOYSA-N 382.605 2.601 0 1 GFAF Cc1nnc2sc(C(=O)NC3CN(c4ccncc4Cl)C3)c(N)c2c1C 1772640709 UOFOOYDDUPYZTI-UHFFFAOYSA-N 388.884 2.557 0 1 GFAF NCc1cc(Oc2cccc(C(=O)NCC3(O)CCC3)c2)nc(C(F)(F)F)c1 1857589982 XBCVWRJFZFHAKX-UHFFFAOYSA-N 395.381 2.996 0 1 GFAF Cc1sc2ncnc(SCC(=O)N3CCn4c(C)nnc4C3)c2c1Cl 1911572490 VABLXLRKBBOFNC-UHFFFAOYSA-N 394.913 2.688 0 1 GFAF O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNCC1 1911578748 HOYXFXCLPCBVPO-QGZVFWFLSA-N 382.851 2.619 0 1 GFAF Cc1cc(S(=O)(=O)N2CCc3c(nc(CC(C)(C)C)n3CC3CC3)C2)no1 1911584915 AEFXBQPOQUXMPD-UHFFFAOYSA-N 392.525 2.925 0 1 GFAF CCOCc1c(C(=O)OCC(=O)Nc2ccccc2C(N)=O)oc2ccccc12 7982863 JSWWBRPNGVQODJ-UHFFFAOYSA-N 396.399 2.864 0 3 GFAF NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)nn1-c1ccccc1 8343353 SIASZZHYJRJPRQ-FQEVSTJZSA-N 386.455 2.802 0 3 GFAF CCCc1cc(C(C)=O)ccc1OCCCON1C(=N)NC(=N)NC1(C)C 45187038 XKZWCOLTUDDSMR-UHFFFAOYSA-N 375.473 2.643 0 1 GFAF O=C1NCC2(CNC2)c2oc3c(c21)CCc1cnc(-c2cccc(F)c2)cc1-3 72110250 WNLOCCXVPMELDQ-UHFFFAOYSA-N 375.403 2.831 0 1 GFAF Cc1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O 82231495 NPSSOJBOHKOCNP-UHFFFAOYSA-N 389.381 2.972 0 1 GFAF O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95667307 SRBZLHJAULXRLX-YADHBBJMSA-N 391.515 2.927 0 1 GFAF O=C(NCCc1ccccc1)c1c(-c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] 102236968 BXLRPPDBZUOYCD-UHFFFAOYSA-N 385.423 2.746 0 1 GFAF O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1 118406957 SPMMQJFOUIZPPM-UHFFFAOYSA-N 397.460 2.649 0 1 GFAF C[C@@H]1O[C@H]2[C@@H](OC(=O)[C@@H]2C)[C@@H]1[C@@H]1CCCCN2[C@H]([C@H]3C[C@@H](C)C(=O)O3)CC[C@H]12 257496724 NSVYJHREGGWCHW-VTTWSISWSA-N 391.508 2.536 0 1 GFAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@H]5[C@]6(CCC[C@@]5(C)CO)CO[C@H](C[C@H]1[C@@H]2OC(C)(C)O4)[C@@H]36 504623692 SPKBKHBTOCOHGF-ICECTASOSA-N 390.520 2.935 0 1 GFAF biogenic CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc[nH]c(=N)c2[nH]1 586935612 FKYASUUZCHHXGZ-ZDUSSCGKSA-N 379.873 2.699 0 1 GFAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(=N)[nH]cc2[nH]1 586938291 QAAXWFBQVLIYMD-HNNXBMFYSA-N 379.873 2.699 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(N)=O)(c1ccc(Br)cc1)O2 587373334 UEUURONOUCZZAZ-QGZVFWFLSA-N 375.222 2.686 0 1 GFAF CCN1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OC)C1 587763160 XFJJZCWMRVUMEQ-CDNVCLAFSA-N 399.304 2.833 0 1 GFAF Cc1cc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1-n1cnnc1 962731222 QHLRWSDZTCCCKY-IAGOWNOFSA-N 389.381 2.743 0 1 GFAF CC(=O)O[C@H]1O[C@@H](c2ccoc2)C[C@]12[C@H](C)C(=O)C[C@@]13COC(=O)C1=CC=C[C@H]32 1857576471 AVKKLSULAQTUAJ-DQPPEXAQSA-N 398.411 2.881 0 1 GFAF O=C(O)c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc32)cc1 1857758116 LQIWWJBTBVTTDD-HKUYNNGSSA-N 393.443 2.816 0 1 GFAF COC(=O)C1=C(OC)C(=O)O[C@H]1c1c(Cl)c2cc(C)c(C)cc2oc1=O 1911571341 KEVFCEYGDJFMPR-AWEZNQCLSA-N 378.764 2.735 0 1 GFAF CC(=O)O[C@H]1CC[C@@](C)(C(=O)O)[C@H]2CC[C@@]34C[C@H](CC[C@H]3[C@]12C)[C@@](O)(CO)C4 1911583488 GLYXKFVXOWIRGZ-WXSZOULWSA-N 394.508 2.749 0 1 GFAF COc1ccc(CN2C[C@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cn1 2356302410 UTPRYTCLNHUXDW-MJGOQNOKSA-N 379.460 2.869 0 1 GFAF COC(=O)C1=COC[C@@H](CCO)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 2356440814 RGHFKJLQDFUAFT-PBHICJAKSA-N 380.444 2.971 0 1 GFAF CC(C)=C[C@@H]([C@]12C[C@H](CO)N[C@@H]1Nc1ccccc12)S(=O)(=O)c1ccccc1 205718095 CKERSPCCJZLLLN-IDZYALCFSA-N 398.528 2.839 0 3 GFAF COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(SC)nc2c1 2969838 JVHVFLNQLWRIDV-UHFFFAOYSA-N 384.413 2.682 0 1 GFAF CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4258132 JTGLGPBZTRBHOC-HYVNUMGLSA-N 392.496 2.826 0 1 GFAF COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@@H]3C[C@@H]21 14827787 WMMZYEBFJWWUJX-OYVJFENOSA-N 384.476 2.656 0 1 GFAF COc1ccc2c(c1O)N(C(C)=O)[C@@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OCC4 39205520 QGGACCULAHXNDK-CIQXWFTPSA-N 384.476 2.770 0 1 GFAF CN(C)CCN(C)Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O 49067806 KQGKBJVLEOOULK-UHFFFAOYSA-N 387.487 2.931 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1 82133624 YFZMGOXDWAVDHD-UHFFFAOYSA-N 389.459 2.622 0 1 GFAF C/C1=C\[C@@H](O)C(C)(C)CCC[C@](C)(O)[C@@H](O)C[C@H]1OC(=O)c1ccc(O)cc1 87723344 PTXVSFQAEBBMCK-CKMSWJDBSA-N 392.492 2.937 0 1 GFAF Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)C1CCCCC1 96905491 OHJQDFMOZCZJJY-UHFFFAOYSA-N 380.495 2.879 0 1 GFAF O=C(c1ccno1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1 115094010 FASMAFXPGNMCOD-IBGZPJMESA-N 380.791 2.536 0 1 GFAF NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144736499 LTASFVMKXRIDCK-APWZRJJASA-N 390.361 2.555 0 1 GFAF NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@@H](CC1CC1)C21COC1 149293347 FKWYDOXONAHPDE-YOEHRIQHSA-N 379.254 2.567 0 1 GFAF CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OCc2ccccn2)n1)C(N)=O 150096724 LWRNCHYFUYKQCI-SFHVURJKSA-N 382.464 2.563 0 1 GFAF CN(C)CCc1c[nH]c2ccc(O)c(N3c4ccccc4[C@@]4(O)CCN(C)[C@@H]34)c12 169588269 LJSAOKIBMQABTP-GOTSBHOMSA-N 392.503 2.979 0 1 GFAF NC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)c1 199999898 CQUTZNUBABXTRE-UHFFFAOYSA-N 395.746 2.533 0 1 GFAF O=C1C=C2C[C@H](NCCc3c[nH]c4ccccc34)[C@@H]3C[C@@]2(O1)[C@@H]1CCCCN31 238781597 IWVPJLXKLFDSTF-FKEBYFGASA-N 377.488 2.921 0 1 GFAF O=C1Nc2ccc(I)cc2[C@@]1(O)c1c[nH]c2ccccc12 299828353 JDTSZMJOIVPVPW-MRXNPFEDSA-N 390.180 2.961 0 1 GFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586942096 ZYTNMDUABXVANO-VOTSOKGWSA-N 389.408 2.799 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587229456 AWVUJEGFZFQJCP-KBPBESRZSA-N 385.443 2.924 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C=C(CN4CCCCCC4)OCC1=O)[C@@H](C2)C3=O 587441106 DJLLWKFEFAPWGL-HTAPYJJXSA-N 383.444 2.541 0 1 GFAF O=C1c2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2NC2=CCCN12 587655279 ZJOJWCFSVWPURS-UHFFFAOYSA-N 392.802 2.851 0 1 GFAF CCn1cc([C@]2(CC(=O)C(=O)OC)c3c(F)cccc3C[C@H]3CCCN32)c(C)n1 963100751 JDAPZJQRZJARDJ-OPAMFIHVSA-N 399.466 2.747 0 1 GFAF CC1(C)CCC[C@]2(CO)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3 2356717367 PTADPNLCURKKPJ-FGSXEWAUSA-N 386.444 2.980 0 1 GFAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc3ccccc3c2)C1 61903188 HLFKKGNADDZYIS-HXUWFJFHSA-N 388.489 2.548 0 3 GFAF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc(F)c1 198217920 SHPMNXUZYSXICA-UHFFFAOYSA-N 382.439 2.536 0 3 GFAF COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3)C(=O)C[C@H]12 206392743 HSKVHRZUQPEYNA-INIZCTEOSA-N 398.846 2.997 0 3 GFAF CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2[C@@H](C)CCC[C@H]2C)C1=O 2934161 LUAXMFDQDVMEOQ-SCTDSRPQSA-N 387.524 2.878 0 3 GFAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H](CC(=O)O)C3=O)c(F)c1 3810234 XNQTZNPDLAFJJK-NSHDSACASA-N 383.379 2.582 0 1 GFAF CN(Cc1ccccc1)C(=O)CCCOc1ccc2c(c1)CN1CC(=O)N=C1N2 26953744 STLROJSENJQWLD-UHFFFAOYSA-N 392.459 2.628 0 1 GFAF COc1ccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C[C@H](O)[C@H]2O)cc1 2356320616 VYAYILQKLCEELC-WNRNVDISSA-N 395.377 2.722 0 1 GFAF C1=CC(c2noc([C@H]3CCCN3Cc3ccccc3)n2)=CN[C]1N1CCOCC1 2356833110 KNJXZIXJBMXMNB-LJQANCHMSA-N 392.483 2.729 0 1 GFAF CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)C1 82204009 MPVPPQZRPZUUSS-XOYOTBSWSA-N 375.517 2.505 0 1 GFAF COc1ccc2c(c1)C1=NN(C(=O)CO)[C@@H](c3ccc(OC)c(F)c3)[C@H]1CC2 84757602 MFOQOEQVAJMYLB-BTYIYWSLSA-N 384.407 2.685 0 1 GFAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN(C2=O)[C@@H]13 238766407 UBXFBXUBYUBVPO-IMDACWRGSA-N 382.460 2.790 0 1 GFAF CN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccncc1 95604807 XSFWAVUYQBWYGE-BHIFYINESA-N 377.488 2.837 0 1 GFAF COc1cccc2cc([C@H]3SC(NC(C)=O)=NN3C(C)=O)c(Cl)nc12 98083025 JIBCBBONBHZBKD-OAHLLOKOSA-N 378.841 2.898 0 1 GFAF O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2CCO)C[C@@H]2CC[C@H]1N2 96175215 GSGOSZTWXXTXDZ-KBXCAEBGSA-N 382.485 2.816 0 1 GFAF Cc1ccc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)c(S(N)(=O)=O)c1 143471062 KSXCBPVRMHGLIE-BQYQJAHWSA-N 386.882 2.708 0 1 GFAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@@H](O)C[C@H]1N1CCN(C)CC1 299849268 BSGGUNAZMRJFTD-UEQSERJNSA-N 396.531 2.939 0 1 GFAF COc1c(-c2cc(=O)n3nc(C)c(-c4ccccn4)c3[nH]2)ccc2c1OCO2 653670656 JTTFPUUJGJZWOI-UHFFFAOYSA-N 376.372 2.797 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)[C@@H](C2)C3=O 587426707 ATUXHNAYMQGNCQ-MRRFBWAASA-N 391.420 2.569 0 1 GFAF COC(=O)[C@]1(C)COCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619561 YCPQOKONMUZFGV-NDXORKPFSA-N 384.384 2.692 0 1 GFAF CN(CCO)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587567942 AWEOWSXPGFOKBM-UGKGYDQZSA-N 392.411 2.919 0 1 GFAF CCn1cc(Cl)c([C@@]2(CC(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)n1 587379507 IXKOHPCRAKLQLU-SFHVURJKSA-N 377.828 2.871 0 1 GFAF CC(C)(C)OC(=O)N[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)C1CCCC1 587227274 XWCNZQZRIHJBPV-AWEZNQCLSA-N 394.497 2.966 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4C[C@@H](O)[C@@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587435141 DBZSARWPRNMTGX-WPCBAXQWSA-N 391.467 2.979 0 1 GFAF COc1cccc2c1C[C@H](NCCCCN1C(=O)c3ccccc3C1=O)CO2 12356246 FVFQQWRAUZNCPU-HNNXBMFYSA-N 380.444 2.665 0 1 GFAF O[C@]1(c2ccc(I)cc2)c2ccccc2C2=NCCN21 13760561 LUUUMVZNPJBMBU-MRXNPFEDSA-N 376.197 2.560 0 1 GFAF Cc1nc2nc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(O)n2n1 15942108 DMUPUIQWXNKEQY-UHFFFAOYSA-N 375.454 2.545 0 1 GFAF O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 3045970 JVYIHVGHQASSRH-UHFFFAOYSA-N 397.585 2.826 0 1 GFAF CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c1 4206714 KRKYMDCCPLGTQZ-PKOBYXMFSA-N 388.851 2.939 0 1 GFAF CO[C@@H]1C[C@](C)(NC(=O)c2ccccc2)[C@@](O)(C(=O)c2ccccc2)[C@H](C)O1 2356699376 QATRQQPVLUNGNR-UYIIBVGGSA-N 383.444 2.570 0 1 GFAF CS[C@]1(Cc2ccccc2)NC(=O)[C@](Cc2ccccc2)(SC)NC1=O 13449648 JNYUWTYXFKBOOZ-PMACEKPBSA-N 386.542 2.836 0 1 GFAF biogenic O=C(O)c1cn(C2CC2)c2c(c1=O)C=C(F)C1=NN=C(c3ccccc3)CN12 1911578073 ZMDRJIWCDGKGPJ-UHFFFAOYSA-N 378.363 2.828 0 1 GFAF CCCCNc1nc(N2CC[C@@H](NC(C)=O)C2)nc2cc(OC)c(OC)cc12 82129773 PJBKETKUHPYQFT-CQSZACIVSA-N 387.484 2.574 0 1 GFAF CCCCCCc1ccc(NC(=O)Cn2ccc3c2c(=O)n(C)c(=O)n3C)cc1 82155796 ANSVBJGYIJAUDS-UHFFFAOYSA-N 396.491 2.800 0 1 GFAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cc(F)cc(F)c1 221916742 GJCKVKJRXJEBFW-ATEUNZGCSA-N 382.342 2.773 0 1 GFAF O=C(C1CCOCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 95600564 REIPENKEAUIUGY-KBRIMQKVSA-N 395.297 2.552 0 1 GFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2ccccc2F)[nH]1 95557410 DGGLFHJMXJUSDG-HNNXBMFYSA-N 383.379 2.559 0 1 GFAF in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H](C(=O)O)[C@H](C(=O)O)C2)N1 587829406 WNROCAIKOWJULP-SZEHBUNVSA-N 386.217 2.513 0 1 GFAF CC(C)C[C@H](O)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 1772605550 NKPFRENCVAJZHX-SFHVURJKSA-N 376.478 2.511 0 1 GFAF Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)c(N)c2c1C 1772581246 TWGRWAKYZYJOSV-UHFFFAOYSA-N 389.431 2.787 0 1 GFAF O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)CCc1ccccc1 13446663 LUILJFDJESPEOO-OAQYLSRUSA-N 389.455 2.902 0 1 GFAF O=C(O)Cn1c2ccccc2c(=O)n1Cc1ccc(Br)cc1F 13649918 JGUBZMJTJQQLOP-UHFFFAOYSA-N 379.185 2.838 0 1 GFAF CS(=O)(=O)Oc1ccc(CCCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101226385 IXWNDVRUEDVCRD-RHNCMZPLSA-N 386.466 2.592 0 1 GFAF COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc2c1OCO2 5999032 GROYKMASYUMFER-GESALYCCSA-N 382.368 2.630 0 1 GFAF biogenic N[C@@H](CC(=O)N1CCCc2n[nH]c(C(F)(F)F)c21)Cc1cc(F)ccc1F 14948988 BTGOECKMNYMNRJ-LLVKDONJSA-N 388.340 2.946 0 1 GFAF O=C(O)c1ccccc1OC(=O)[C@@H]1CCCN1C(=O)CC[C@H](O)c1ccccc1 29337963 GVVIUPKACUDUER-ROUUACIJSA-N 397.427 2.795 0 1 GFAF CC(C)Cn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O 45349339 ZYPXRLCRQCQKNI-UHFFFAOYSA-N 378.432 2.774 0 1 GFAF NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1 45364613 QFZPYOASMMLHOZ-UHFFFAOYSA-N 390.896 2.977 0 1 GFAF CC(C)NC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 45505714 RYMKTVKTAIKRTD-VAWYXSNFSA-N 390.417 2.840 0 1 GFAF CCN1CCN(CCC(=O)Nc2ccc3[nH]c(-c4cccn4C)nc3c2)CC1 72112155 DLZLZPHDVNRVPG-UHFFFAOYSA-N 380.496 2.535 0 1 GFAF COC(=O)[C@@]1(CCC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1Cc1ccc(OC)cc1 72119662 FOGRDLRBGQSAET-LHSJRXKWSA-N 391.464 2.707 0 1 GFAF CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)CC[C@]3(C[C@@H]2C(C)(C)O)[C@H]1C5 100660201 HAVHKPLHNCEBIW-OTMCPCFHSA-N 399.531 2.998 0 1 GFAF O=C1c2ccccc2-c2onc3c2[C@@H]1[C@@H](NC1CCCCC1)C=C3NCCO 101414601 WZYDCGZTCKJLKJ-WMZOPIPTSA-N 379.460 2.849 0 1 GFAF NC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)CCC(=O)Nc1cccc(Cl)c1 102938395 ZFTJOYJEPJVCAJ-KRWDZBQOSA-N 384.823 2.563 0 1 GFAF CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NCCCCN1CCCC1)C21CC1 168408483 YDGLHCZRCYMSLI-MTQWCTHYSA-N 387.568 2.723 0 1 GFAF CC(=O)OC[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@H]2CC[C@H](C1)N2C 195020662 MVWNKMDSLAYMKY-IIDMSEBBSA-N 381.856 2.819 0 1 GFAF CS(=O)(=O)c1ccc(-c2[nH]c3nc(N)nc(N)c3c2-c2ccccc2)cc1 299823896 BXYDFLNJEPWNMO-UHFFFAOYSA-N 379.445 2.860 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc5c(cc41)OC(F)(F)O5)[C@@H](C2)C3=O 587424332 NJLUKPDFOCEYNU-YPMLDQLKSA-N 387.294 2.612 0 1 GFAF Cc1nn(C)cc1[C@@]1(CN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587517055 ZYNLZGJDJGCGIT-QHCPKHFHSA-N 395.503 2.800 0 1 GFAF CCOC(=O)[C@@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582778 QXZPWPJXQZKNPX-UTKZUKDTSA-N 394.383 2.546 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)N1 587794042 SMXUYAGDBOEOBO-UQCKNUTBSA-N 395.316 2.935 0 1 GFAF COc1cc2c(cc1NS(=O)(=O)c1ccccc1OC)cc(C)c(=O)n2C 1772641938 IZMOHAYBKYXBRM-UHFFFAOYSA-N 388.445 2.665 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2cccc(n2)NCC=CCOc2ccc(Cl)c1c2 1857626724 NNZXXIHLUGBLFO-INIZCTEOSA-N 387.823 2.521 0 1 GFAF CC(C=C[C@H](O)CC=C(C)C=C[C@H](O)C[C@H]1OC(=O)C(C)=C(O)[C@H]1C)=CCO 2356327823 JGMRIWYAEMPDLG-OJAHFUOMSA-N 392.492 2.879 0 1 GFAF Cc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)O)cc1 6727265 QCACEHGEERYHKI-VQTJNVASSA-N 396.487 2.952 0 3 GFAF COc1cc(CCCN2C(S)=NC[C@@H]2CCCCN)cc(OC)c1OC 15952981 GZZJGTUVFGNJAC-HNNXBMFYSA-N 381.542 2.744 0 3 GFAF COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C[C@H]1COC(=O)[C@@H]1C2)OCO3 1575125 YIIRKVZAEAXDAD-DZGCQCFKSA-N 398.411 2.996 0 1 GFAF CCS(=O)(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 20289809 DEVUKPIITHAFLP-APWZRJJASA-N 393.578 2.939 0 1 GFAF COC(=O)N1CCc2cc3c(cc2[C@@H]1c1cc(OC)c(O)c(OC)c1)OCO3 26479608 XVOCYWMZZOGIKO-SFHVURJKSA-N 387.388 2.852 0 1 GFAF CC[C@H]1C(=O)OCc2c1c(C(=O)OC)c1n(c2=O)C[C@H]2Cc3ccccc3C[C@H]12 27420670 ZBPGREPSDSAIEH-OAGGEKHMSA-N 393.439 2.698 0 1 GFAF O=C(NC1CCCC1)[C@@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21 28115369 UHDFKZQJFVDYLF-GOSISDBHSA-N 377.448 2.659 0 1 GFAF COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(CCN(C(=O)C(C)(C)C)C1)N2 28529365 KLUVDKRQHGIFCK-OAQYLSRUSA-N 398.463 2.822 0 1 GFAF CCCC[C@@H](OC)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 29487827 MGHBICCSEQIBOM-ZAMCGSHUSA-N 382.497 2.876 0 1 GFAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N[C@@H](Cc1ccc(O)cc1)C(=O)O 58608685 RKAXPZDQSWHDEN-VKMIYFSISA-N 381.384 2.502 0 1 GFAF O=c1cc(N2CCOCC2)nc(Cc2nc3c(-c4ccccc4)cccc3[nH]2)[nH]1 84759461 WOQUVNKDDWFSGT-UHFFFAOYSA-N 387.443 2.741 0 1 GFAF CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2C(=O)O)c1 96921173 MAYFJTYZURTIMR-UHFFFAOYSA-N 394.424 2.807 0 1 GFAF O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101637711 RGDWGHPAMAPZLW-MUJYYYPQSA-N 384.505 2.748 0 1 GFAF O=C1C(=O)N(c2ncccn2)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)c1ccco1 110725004 DMPPKPOTCKPWDT-CABCVRRESA-N 381.775 2.879 0 1 GFAF CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cc(O)cc12)c1cccc(Cl)c1 114345999 REICLTJSLHAADW-INIZCTEOSA-N 385.855 2.803 0 1 GFAF O=C(c1ccno1)N1CCN2C(=O)c3ccncc3[C@@]12c1ccc(Cl)cc1 115094011 FASMAFXPGNMCOD-LJQANCHMSA-N 380.791 2.536 0 1 GFAF CC(C)Nc1nc(-c2ccc3c(c2)NC(=O)C(C)(C)O3)cc2ncn(C)c(=O)c12 115622741 IAKOKIJOYYLWCV-UHFFFAOYSA-N 393.447 2.925 0 1 GFAF CCOc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](O)CC3)c2=O)cn1 116016148 YTNNVODUWWRSRY-GASCZTMLSA-N 395.463 2.619 0 1 GFAF Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C 169711487 WOJKYHBOHSQZDW-UHFFFAOYSA-N 383.448 2.918 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3ccnc(Br)c3[nH]2)CC1 586952765 NDNUCHIVFNUSCY-UHFFFAOYSA-N 387.303 2.640 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnnc(O)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238191 BKBASZBGUXJPMC-FTNGCUSPSA-N 389.456 2.614 0 1 GFAF COC(=O)[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587358019 PHLQTWJRBNJPOF-YRISNDGFSA-N 386.375 2.839 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4C[C@H](O)[C@@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587435140 DBZSARWPRNMTGX-VNXYZTLMSA-N 391.467 2.979 0 1 GFAF CN1C(=O)C[C@H]2CN[C@H](c3cccc(CN4CCOCC4)c3)c3cccc1c32 963023903 IZYAVYOMXRVNPM-FDDCHVKYSA-N 377.488 2.662 0 1 GFAF O=C(O)CCCCN1C(=O)[C@H](CC(=O)O)N=C(c2ccccc2)c2ccccc21 1772577396 AQWXALQNWXWYLI-KRWDZBQOSA-N 394.427 2.969 0 1 GFAF CCn1ncc2cc3nc(c21)CCCO[C@H](CO)[C@H](c1ccccc1)NC(=O)N3 1772585194 ILQXAAGAKNRVJZ-MJGOQNOKSA-N 395.463 2.638 0 1 GFAF CCOC(=O)[C@](NC(=O)c1ccccc1)(OCC1(CC)COC1)C(F)(F)F 3103160 FXWCHPIFGPJLMO-KRWDZBQOSA-N 389.370 2.681 0 3 GFAF COc1ccc(Cc2nc3ccc(C(=O)N[C@@H]4CCOC4)cc3o2)cc1OC 12716530 KOMVTGMHKUQUCL-OAHLLOKOSA-N 382.416 2.955 0 3 GFAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NCCCCc1cccnc1 27109966 AOSKFDSVVWUMLV-SFHVURJKSA-N 387.524 2.907 0 1 GFAF COc1cc2c(cc1[C@@H](O)[C@H]1CCCN(Cc3ccccc3)C1=O)OCCO2 103282815 CWBXTSZZIXFNRG-IERDGZPVSA-N 383.444 2.939 0 1 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H]1CCCC[C@@H]1O 29326028 KJZIHOYWZYDQEJ-DLBZAZTESA-N 383.920 2.676 0 1 GFAF CSc1ccc(CN2[C@@]3(CC(O)=NC3=O)c3ccccc3S2(=O)=O)cc1 27523926 WTIRGYHDDYEHPH-SFHVURJKSA-N 388.470 2.695 0 1 GFAF CC(=O)S[C@H](C(=O)c1ccc(Cl)cc1)[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O 27314956 DOZOYSPQHWWQPB-JJMVLAAESA-N 397.880 2.883 0 1 GFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356694776 HMFMZNOIEXKYSR-BURNTYAHSA-N 399.535 2.592 0 1 GFAF CC(C)Cc1ccc([C@@H](C)C(=O)OCCOCCOCCOCCO)cc1 27658077 PAOXYFXYDDJJBB-GOSISDBHSA-N 382.497 2.574 0 1 GFAF O=c1ccc(C(F)(F)F)cn1-c1ccc(NCCOCCO)cc1Cl 73297543 HIUOREFAEDKYLP-UHFFFAOYSA-N 376.762 2.931 0 1 GFAF O=C(CCc1cc2ccccc2[nH]1)N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O 45385754 ZHWBKERXDYLTJJ-GOSISDBHSA-N 376.416 2.789 0 1 GFAF Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)o1 82175703 LXYXKQXJCYUCTK-ZDUSSCGKSA-N 381.411 2.948 0 1 GFAF CC1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)CC1 82140843 GDWOFSZPGNSVDD-UHFFFAOYSA-N 384.455 2.991 0 1 GFAF COc1cc(F)c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(F)c1 95577667 FZZUWACJRQRLAZ-AZUAARDMSA-N 387.430 2.804 0 1 GFAF CCn1c(NC(=O)c2ccc3cc4n(c3n2)[C@H](C)CNC4=O)nc2ccccc21 147160698 QKXWJSXDKHCSDT-GFCCVEGCSA-N 388.431 2.963 0 1 GFAF COC(=O)C1=COC[C@H](CCO)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 238771860 RGHFKJLQDFUAFT-YOEHRIQHSA-N 380.444 2.971 0 1 GFAF CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95895563 HSESRDNFSLKVBL-DNVJHFABSA-N 392.499 2.945 0 1 GFAF COc1ccc(-c2cn([C@H]3CC[C@H](OCCO)CC3)c3nc(N)nc(C)c23)cn1 261100488 GFLOESCMAVVOIE-WKILWMFISA-N 397.479 2.885 0 1 GFAF CCCCCCO[P@](=O)(O)OCCSC(=S)N1CCN(C)CC1 299822440 AJTNVICSNKYVGG-UHFFFAOYSA-N 384.504 2.966 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(Cl)c3[nH]2)[C@H](C)O)cc1 586940053 ZQUIBSWRVNSSOE-BONVTDFDSA-N 395.868 2.625 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C[C@H](N)C(=O)O)(c1ccccc1N)CC2=O 587468396 GBHOWSBQWLTUBA-HRAATJIYSA-N 384.432 2.590 0 1 GFAF O=S(=O)(O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967348 UVBQABBTMKXTSS-UHFFFAOYSA-N 389.418 2.547 0 1 GFAF Cc1ccn2c(CNCc3cnn(C)c3)c(C(=O)N3CCCCCC3)nc2c1 11936130 XORNYMLETRLFJA-UHFFFAOYSA-N 380.496 2.682 0 3 GFAF O=C(NCCCN1CCNCC1)c1cccc(-c2cc(O)c3ncccc3c2)c1 169303039 SGNVUUHKDPFHBE-UHFFFAOYSA-N 390.487 2.633 0 3 GFAF O=C(NCCn1cccn1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167122884 LUDQDOYHHRTUDV-UHFFFAOYSA-N 375.432 2.861 0 1 GFAF Cc1ccc(-n2cc(Cn3cnc4c(cnn4-c4ccccc4)c3=O)nn2)cc1 1857648246 JWKAOXYPPDYRIL-UHFFFAOYSA-N 383.415 2.520 0 1 GFAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCOCCO 4213636 RNEIXQNGCLCKKE-UXHICEINSA-N 392.496 2.834 0 1 GFAF CC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC2CCCCC2)CC1 4411486 IHXVAVRMVALHER-UHFFFAOYSA-N 375.488 2.702 0 3 GFAF Cc1noc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)n1 113397085 CIUYUJJQZDDGTM-UHFFFAOYSA-N 391.309 2.801 0 1 GFAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C[C@]3(O)OC(=O)C=C3[C@]2(C)O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356461846 WIHSWORKGXEYFX-FSEIJRKOSA-N 392.492 2.713 0 1 GFAF CN[C@H](Cc1c[nH]c2cc(Br)c(Br)cc12)C(=O)O 13450958 GMRVWTILWKKKRC-LLVKDONJSA-N 376.048 2.908 0 1 GFAF biogenic Cc1ccnn1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 71932871 BQOAZNQACLTPKI-IBGZPJMESA-N 399.514 2.534 0 1 GFAF CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S(C)(=O)=O)n2C)ccn1 137964277 PDLGJZRWMPSCGJ-UHFFFAOYSA-N 388.424 2.650 0 1 GFAF O=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1N1CCC[C@H](O)C1 84586984 ANIBRQLOFDBMAF-AWEZNQCLSA-N 387.436 2.563 0 1 GFAF COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82085508 KJLMATWMORFLJP-OAHLLOKOSA-N 376.434 2.605 0 1 GFAF C[C@@]12[C@H]3C[C@H]([C@H](O)C3)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O 140333715 LTGSMLGJNCDBLF-JCGRBJNKSA-N 386.395 2.502 0 1 GFAF O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 95893307 IGXMDRPGAHRYCD-XUVXKRRUSA-N 395.434 2.943 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)NC2CCCC2)C3)cc1 95869312 MIGFEENCITXICD-PSROHBQZSA-N 397.519 2.733 0 1 GFAF CC/C=C/[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 263638854 XNUWGEPKIOWLHQ-DTZFGYHDSA-N 385.460 2.866 0 1 GFAF NC(=O)c1ccc2cncn2c1Nc1ccc(I)cc1F 299828461 WAVSNGNSMMWBRX-UHFFFAOYSA-N 396.163 2.921 0 1 GFAF CN1CCN(C(=O)[C@@H]2C[C@@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)CC1 299870368 VNXBDWUNAYPTRF-BVKGHAHHSA-N 398.547 2.609 0 1 GFAF in-vivo COc1cccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599865 IJBJAIHBIBULMS-PGRDOPGGSA-N 394.379 2.569 0 1 GFAF C[C@]1(c2cnc(C(=O)O)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585790 GHHXUMWZFOLDPH-OXJNMPFZSA-N 378.340 2.757 0 1 GFAF Cc1cccc(NC(=O)Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1C 587238950 JNLIGBXKKJVHRS-UHFFFAOYSA-N 386.477 2.611 0 1 GFAF Cc1c(F)ccc2c1[C@@H]([C@@H]1CCN(C(=O)CNC(=O)OC(C)(C)C)C1)NCC2 962378575 SVXHBTINJJEAKN-DNVCBOLYSA-N 391.487 2.694 0 1 GFAF CCOC(=O)C[C@]1(c2ccc(C)o2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219191 DCQSCIUYRGTXGA-GCJKJVERSA-N 394.427 2.932 0 1 GFAF CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)ccn2)COc2ccccc21 1772641843 BYZLFSSTPKOLGN-IBGZPJMESA-N 387.439 2.826 0 1 GFAF C[C@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)[C@@H]1C 13115635 RXYOYKPUJVQAKL-YNEHRVOUSA-N 393.434 2.673 0 1 GFAF Cc1nn(C)c2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711747 NMBOADHXCHYWOE-UHFFFAOYSA-N 377.427 2.843 0 1 GFAF COc1ccc2c(OCc3nnc4ccc(-c5cn(C)nn5)cn34)ccnc2c1 200457799 HPNRWMFZEOBIAK-UHFFFAOYSA-N 387.403 2.661 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2C(=O)O)ccc1O 1646889 JTHPLBUVRLOJBB-VCPQXCNPSA-N 386.356 2.809 0 1 GFAF in-vitro CS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1 7978484 BMOCJSHEKDJYHA-UHFFFAOYSA-N 376.825 2.577 0 3 GFAF COC(=O)C1(N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)CCCC1 101678149 MBFDPKDUVMZYND-UHFFFAOYSA-N 392.839 2.549 0 1 GFAF O=C(NC[C@@H]1CCCO1)c1onc(CSc2ccccc2F)c1C(=O)O 8691347 OXSQJMMJDJKGLR-JTQLQIEISA-N 380.397 2.713 0 3 GFAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc3c(c2)OCO3)CC1 2356286398 QVLFUYHVWOSPCW-DFQSSKMNSA-N 399.535 2.587 0 1 GFAF CNCCN1C(=O)[C@@H](OC(C)=O)[C@@H](c2ccc(O)cc2)Sc2ccccc21 26962114 WRFWPKPPSGMXIS-RBUKOAKNSA-N 386.473 2.723 0 1 GFAF CNC(=O)[C@H](c1ccc(OC)cc1)N1CCC[C@@H]1C(=O)NCC1CCCCC1 2356536555 XGNBKMKOEVFVQW-UXHICEINSA-N 387.524 2.643 0 1 GFAF CCOc1ccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)cc1 28520714 XMZKLZIMZQPMOX-UHFFFAOYSA-N 388.445 2.927 0 1 GFAF COC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@@H]1CN1CCN(c2ccccn2)CC1 36286670 BRQLSMYVLSQFBJ-DYESRHJHSA-N 385.895 2.988 0 1 GFAF CS(=O)(=O)N1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72184526 UGBIIEXMKKUYJV-KRWDZBQOSA-N 399.438 2.767 0 1 GFAF COc1ccc(COC(=O)[C@H](N)C(C)C)c2nc3cccc(C(=O)O)c3nc12 14455257 PIEWZDRTLBDIHP-OAHLLOKOSA-N 383.404 2.516 0 1 GFAF biogenic COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(C)CCO)n2)cc1 82066512 GGSZJGVYSDXZPG-UHFFFAOYSA-N 399.426 2.852 0 1 GFAF Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)N2CCOCC2)cn1 141376025 NOHQUOGZZBIOMG-UHFFFAOYSA-N 398.394 2.631 0 1 GFAF CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(Br)cc4)cc23)CC1 95596442 DSBUVAUEIHFCMH-UHFFFAOYSA-N 387.285 2.721 0 1 GFAF COc1cc(F)ccc1-c1ccc([C@H]2C[C@@H]2NCC(=O)N2CCN(C)CC2)cc1 96172309 JKNORQWARHRIRT-RTWAWAEBSA-N 397.494 2.721 0 1 GFAF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN3C[C@@H]2CC[C@H]1O 238777726 NXFSMEXZBFREEO-RBZAMRJTSA-N 384.476 2.656 0 1 GFAF CCCNC(=O)N1[C@H](CN(C)C(C)=O)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO 95895504 CXKRCVITKQIBGN-BHIFYINESA-N 399.535 2.981 0 1 GFAF CC(C)NC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3ccccc3)C[C@H]21 95893563 CUGWRXNQOXUBLM-AQNXPRMDSA-N 394.475 2.985 0 1 GFAF COc1cccc(-c2cnn(C(C)(C)C(=O)NCc3ccc4c(c3)OCO4)c2)n1 618008020 AZLAPFITBNXORP-UHFFFAOYSA-N 394.431 2.734 0 1 GFAF CCCCOc1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2cc1Br 586923310 QHNHBEWQRXWMED-VIFPVBQESA-N 392.190 2.682 0 1 GFAF COc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1Cl 586930601 TWGKKRRAJGKOBV-UHFFFAOYSA-N 381.841 2.760 0 1 GFAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(O)nc(O)nc3[nH]2)cc1 586950036 NGKDUAASPYDMRH-UHFFFAOYSA-N 397.416 2.540 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN1CCC[C@H](NCc2ccccc2F)C1 1772587163 VCFSRKUPNNIFRY-KRWDZBQOSA-N 381.451 2.676 0 1 GFAF COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@]5(C[C@@H]4C(C)(C)O)[C@@H](C2)N(C)CC[C@]315 5941570 MKWFKXIKUBABHP-YXUNAXOOSA-N 399.531 2.910 0 1 GFAF COc1cccc(NC(=O)C[C@@]2(C)N=C(c3ccc4c(c3)OCO4)N(C)O2)c1 205229538 ITLNPOSCEBFARM-FQEVSTJZSA-N 383.404 2.793 0 3 GFAF COc1ccc(-c2cc(-c3cccc4c3OCO4)nc3[nH]c(=O)[nH]c(=O)c23)cc1 2464124 XRZIPOYDPBSFFN-UHFFFAOYSA-N 389.367 2.683 0 1 GFAF COc1ccccc1/C=C1\CNC[C@H]2[C@@H](c3ccccc3OC)NC(=S)N[C@@H]12 103231013 LWWIMYKKFBLYLV-MBCNZHBVSA-N 395.528 2.894 0 1 GFAF O=C(NC[C@@H]1CCCO1)c1onc(CSc2ccc(F)cc2)c1C(=O)O 8691338 BTFBLJZPCPPPEU-NSHDSACASA-N 380.397 2.713 0 3 GFAF COC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)n1 28902252 WAJPPCPVOSTBOR-QMMMGPOBSA-N 384.417 2.510 0 1 GFAF CC[C@H](C)[C@H](CO)NCCCn1cnc2c(OCc3ccccc3)ncnc21 61922696 XZUNGFMLGIECCM-WMZOPIPTSA-N 383.496 2.792 0 3 GFAF CC=C(NC(=O)C[C@@H](CCCCC)NC(=O)C[C@H](N)CCCCC)C(=O)O 2356541662 VWSNLVVBVKAHGF-HZPDHXFCSA-N 383.533 2.844 0 1 GFAF CC[C@@H]1C(C(=O)OC)=C2Nc3cc(OC)ccc3[C@]23CCN2C(=O)C=C[C@@H]1[C@@H]23 2356645810 GAFRJVYOKFJQKI-CDAWJECPSA-N 380.444 2.612 0 1 GFAF O=S(=O)(c1cn([C@H]2CCNC2)c2ncccc12)c1cccc2cccnc12 28862272 SRQPELDDXIRLNJ-HNNXBMFYSA-N 378.457 2.952 0 1 GFAF O=C1N[C@](c2ccccc2)(C2CC2)C(=O)N1CN1CCN(c2ccccc2)CC1 72124428 UNZGCLUCLKDDNO-HSZRJFAPSA-N 390.487 2.623 0 1 GFAF O=C(CSc1nc2c(c(=O)[nH]1)[C@@H]1CCCC[C@@H]1S2)NCc1ccco1 45356815 XJRPOETWODPJGX-NEPJUHHUSA-N 377.491 2.903 0 1 GFAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCc1cccc(F)c1 82213005 DKLMADGODPMEKK-UHFFFAOYSA-N 379.443 2.653 0 1 GFAF C[C@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1 221607034 UJEXESQYZPLJHO-AWEZNQCLSA-N 378.451 2.934 0 1 GFAF CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCNC(C)=O 82187567 RJUJLQLBRRRPFY-UHFFFAOYSA-N 384.459 2.709 0 1 GFAF CC(=O)N1[C@H](CNC(=O)C2CC2)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO 95896000 JPCTYBULYRPUFB-BHIFYINESA-N 378.472 2.555 0 1 GFAF CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4C[C@@]5(NC(=N2)N43)O[C@@H](C)CC[C@H]5O)O1 238778461 PVERDUFTDYLFAY-YLWQIKDNSA-N 375.513 2.670 0 1 GFAF C=CS(=O)(=O)N1CCN(Cc2ccc(C(F)(F)C(F)(F)F)cc2)CC1 618020270 VTGSUWMTLHPQOM-UHFFFAOYSA-N 384.370 2.932 0 1 GFAF CN(C)[C@@H](Cn1c(O)cc(CCC(=O)O)c1O)c1cccc(Br)c1 587940486 PNIKNXOSPJHGGH-AWEZNQCLSA-N 397.269 2.982 0 1 GFAF NNc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccn1 587661593 RQHQHCINWZNBMM-UHFFFAOYSA-N 375.363 2.572 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 586953579 VBCRGPDTIRXEQN-UHFFFAOYSA-N 376.404 2.896 0 1 GFAF CCCCS(=O)(=O)N[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)C(C)C 586933339 PQDFNPMYVYMZEL-JTQLQIEISA-N 379.408 2.740 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587791944 NGTZKSSOLUQIQR-JVXZTZIISA-N 398.232 2.817 0 1 GFAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1 587785836 PCGNHYGQWZMCLD-GJZGRUSLSA-N 399.472 2.757 0 1 GFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1ccc(OCC(=O)N(C)C)cc1 963609783 OJXUGSZOWLRHHW-CMJOXMDJSA-N 398.503 2.969 0 1 GFAF CC(C)NC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5835048 RILZGKZVARWTMN-CYBMUJFWSA-N 387.455 2.998 0 1 GFAF O=C(OCN1C(=O)c2ccccc2S1(=O)=O)c1c(Cl)cccc1Cl 13528184 BICFHPJPQCDSDL-UHFFFAOYSA-N 386.212 2.952 0 1 GFAF CC[C@]12C=CCN3CCc4c(n(c5cc(OC)ccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 14829335 HTWQPFKEAAOZFQ-BVSLBCMMSA-N 382.460 2.737 0 1 GFAF biogenic Cc1onc([C@@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC(C)C)cn1 169685426 QOUJVWJBFJLZDL-HOCLYGCPSA-N 376.432 2.858 0 1 GFAF CCCN1CCN(c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1 1857619843 SJSVMGMRQLCIER-UHFFFAOYSA-N 385.533 2.970 0 1 GFAF COC(=O)[C@H]1CCC(=O)N1[C@@H](c1ccccc1)c1cc(OC)c(OC)c(OC)c1 1645067 UWZLSLHQRNSPOI-UZLBHIALSA-N 399.443 2.966 0 1 GFAF CC1=C[C@H](CNC(=O)c2ccncc2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356333505 SJOCBVLRYKNBPB-PWRODBHTSA-N 399.535 2.915 0 1 GFAF C[C@@H]1CCC[C@H](NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)[C@@H]1C 6839544 JANSESFGIKWRTR-IOASZLSFSA-N 387.505 2.929 0 3 GFAF CC(=O)Nc1cccc(Cn2c(Br)nc3c(N(C)C)ncnc32)c1 26162382 ASBWFWJXEYDVLR-UHFFFAOYSA-N 389.257 2.662 0 1 GFAF COc1cc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CO)cc(OC)c1OC 58581061 GDYKQKGRZSIIOL-KRWDZBQOSA-N 384.432 2.691 0 1 GFAF Nc1cccc(-c2nnc(O)n3c(Br)c(Br)nc23)c1 28006590 OPGLYDRYUMWULZ-UHFFFAOYSA-N 385.019 2.604 0 1 GFAF O=S(=O)(NCCNCc1ccc(Cl)cc1)c1cccc2cnccc12 27558348 BYFHXOZXGILNEN-UHFFFAOYSA-N 375.881 2.956 0 1 GFAF C[C@H](c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21 43195555 MHPVRYQHDKYIDU-LLVKDONJSA-N 389.444 2.778 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@@H]2CC(CO)(C4)C3)C1 43208323 OMHBDFLGWZXMSG-JTWCTLTRSA-N 394.512 2.909 0 1 GFAF CC(C)(C)N(CC(=O)O)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146202171 DDLFJFSBORNDAE-UHFFFAOYSA-N 397.422 2.651 0 1 GFAF COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccco2)c(OC)c1 195379293 OOWFXNSFZDCAJZ-VPCNSNALSA-N 396.443 2.990 0 1 GFAF Cc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)c2)nc1 95605829 ZCNHRJGLINKQLI-QGZVFWFLSA-N 378.354 2.977 0 1 GFAF C[C@@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95665129 FKVAGPIVUGMOCL-DYVFJYSZSA-N 377.485 2.534 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3C)cc2)C12CN(C(C)=O)C2 95668400 FSGGOOOBEUIMMP-JTHBVZDNSA-N 392.499 2.960 0 1 GFAF O=C(Nc1nc2cccc(-c3cccc(CN4CCOCC4)c3)n2n1)C1CC1 96174617 OAAYBVHGHNLLIA-UHFFFAOYSA-N 377.448 2.577 0 1 GFAF CO[C@](C)(C(C)C)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 95583452 PXRPXQKBRGMQJJ-IIBYNOLFSA-N 398.486 2.998 0 1 GFAF O=C1Nc2ccc(I)cc2[C@]1(O)c1c[nH]c2ccccc12 299828351 JDTSZMJOIVPVPW-INIZCTEOSA-N 390.180 2.961 0 1 GFAF C=Cc1c(CC)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 473113857 HQHGHAFWUQCPEA-UHFFFAOYSA-N 381.524 2.552 0 1 GFAF CCO/C(O)=C1\SC[C@H](C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)N=C1C 299872720 RGWAGRFRXKORFR-MGTMEOADSA-N 383.558 2.811 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCCN(C)C 587869415 JGXIJCXRIOBFSI-UHFFFAOYSA-N 387.431 2.647 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516673 ZIOINKZQDNSTHX-JOCHJYFZSA-N 379.412 2.953 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@H]3CCS(=O)(=O)C3)c1)CC2=O 587489505 CQULMIRQTFEXLL-SCLBCKFNSA-N 390.461 2.607 0 1 GFAF COc1cc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1C 587204208 WAEQPSHVDNZBQC-INIZCTEOSA-N 383.404 2.802 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)O2 587388190 XMGBKPNKFJQKMG-BFUOFWGJSA-N 378.425 2.669 0 1 GFAF CC(=O)n1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1=O 587795084 QOKOBEDCIRTSAM-CQLKUDPESA-N 396.260 2.844 0 1 GFAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587971272 XVNWJPZRACJYNG-KVSKUHBBSA-N 393.115 2.843 0 1 GFAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587142294 RYWJSDOKQVZEPJ-UHFFFAOYSA-N 388.193 2.918 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587438860 RQDSOPRJNUBUGQ-KSFYIVLOSA-N 377.396 2.888 0 1 GFAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 1772584346 HIDGSHNRMYFZHS-HJWRWDBZSA-N 395.434 2.826 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@H]2C[n+]3ccc4c([nH]c5cc(OC)ccc54)c3C[C@H]12 13312043 VRYXFFIRTZBTQN-OAUYIBNBSA-O 379.436 2.881 0 1 GFAF N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 169342733 VPFQXVNSENBLHV-LSDHHAIUSA-N 390.447 2.676 0 1 GFAF CCC(CC)O[C@@H]1C=C(C(=O)Nc2ccc(F)cc2)C[C@H](N)[C@H]1NC(C)=O 1857632488 USOPQAMJMCACKQ-IPMKNSEASA-N 377.460 2.500 0 1 GFAF Cc1ccc2nc(NC(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)sc2c1 4564629 UUQVNFOOLZYPIP-LZDSYCOUSA-N 381.457 2.740 0 1 GFAF CCCC(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)O[C@@H](C(C)(C)O)C2 13429616 KJESFZJNOLYRHM-GXTWGEPZSA-N 390.432 2.999 0 1 GFAF biogenic CNS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1 13470483 KLYOKJDELSPRDU-WQLSENKSSA-N 386.458 2.610 0 1 GFAF COc1cc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@H]2O)ccc1O 14648278 LGBAIPUTDBEARD-PMACEKPBSA-N 386.400 2.998 0 1 GFAF biogenic c1ccc(CO[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5ccco5)n4)CO[C@@H]23)cc1 25434275 SLYWBELHRIKZSK-AFYVEPGGSA-N 379.416 2.900 0 1 GFAF biogenic Cc1c(O)c2ccccc2c2c1sc(NCCCN1CCN(C)CC1)[n+]2C 27726398 MENKDXKIGJOLSE-UHFFFAOYSA-O 385.557 2.942 0 1 GFAF O=c1[nH]c2ccccc2n1C1CCN(C[C@@H](O)C2=COc3ccccc3O2)CC1 28105682 LNKPJEIVCYIHAB-GOSISDBHSA-N 393.443 2.640 0 1 GFAF NCCc1cn(C2=C(c3c[nH]c4ccc(F)cc34)C(=O)NC2=O)c2ccccc12 29125632 OGOHPXYRSBGPRP-UHFFFAOYSA-N 388.402 2.788 0 1 GFAF COc1ccc(Oc2ccc(S(=O)(=O)Cn3cccc(O)c3=O)s2)cc1 29129987 LJTOKVQVUWPBDT-UHFFFAOYSA-N 393.442 2.848 0 1 GFAF O=C1NC(=O)C(c2c3n(c4ccccc24)CC[C@@H](CO)C3)=C1Nc1ccccc1 34034927 XKPHPTHLQNGXJQ-CQSZACIVSA-N 387.439 2.676 0 1 GFAF O=C1OC(c2ccccc2)=N/C1=C/N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 34172431 ZYOIGLDLVVSCCT-BOFQVRIASA-N 375.384 2.598 0 1 GFAF O=c1c(-c2ccc(O)cc2)c(CNC2=NCCS2)oc2cc(O)cc(O)c12 40413594 LNODPFGTNSVVGA-UHFFFAOYSA-N 384.413 2.769 0 1 GFAF O=C(Nc1ccc(Cc2ccc(NC(=O)[C@@H]3CCCN3)cc2)cc1)[C@@H]1CCCN1 66166776 LVQGCEVXZHUBBK-SFTDATJTSA-N 392.503 2.658 0 1 GFAF O=S(=O)(NCCCCCN1CC[C@H](F)C1)c1cccc(Br)c1 71329103 AWLIDFLGIPHLLW-AWEZNQCLSA-N 393.322 2.942 0 1 GFAF CN(C)C(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72185032 SJJVAXMSZLVBMY-KRWDZBQOSA-N 377.851 2.658 0 1 GFAF CC(C)NC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccc(F)cc1)C2 95667453 VFAANSOBOJRXPV-LEWJYISDSA-N 397.494 2.958 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]1CNC(C)=O 95895056 VHZPWRJIRZNYCG-SJBKTWHCSA-N 384.451 2.694 0 1 GFAF C[C@H]1CN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S(=O)(=O)C1 149366582 MHPZNUCALZUBKC-SWLSCSKDSA-N 394.443 2.715 0 1 GFAF CN1CC[C@H](CN(C)Cc2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1 167427771 OMKVIACUQYBDSS-KRWDZBQOSA-N 398.526 2.762 0 1 GFAF COc1cc(OC)c2c(=O)cc(-c3ccc(OC[C@H](O)CN(C)C)cc3)oc2c1 169351487 RXVZTZWNSGJWEW-OAHLLOKOSA-N 399.443 2.779 0 1 GFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1c(F)cc(Br)cc1F 199937354 HOKDJRNWYDZHHK-UHFFFAOYSA-N 380.214 2.878 0 1 GFAF O=S(=O)(Nc1nc(C2CCC2)n[nH]1)c1cnccc1N[C@@H]1C[C@H]2CC[C@H]1C2 299813513 CWSNZLKGGODPSS-CORIIIEPSA-N 388.497 2.869 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c(C)ccc(C)c3[nH]2)[C@@H](C)O)cc1 586936228 HZBPYYWMESMEBU-ACJLOTCBSA-N 389.477 2.589 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586944259 ILQQEVYLBNCVRL-UHFFFAOYSA-N 375.237 2.882 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cnc3[nH]2)CC1 586953758 ZDCRTPQFPGKTKP-UHFFFAOYSA-N 387.303 2.640 0 1 GFAF C[C@@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173307 BNEWURBQBWHWDJ-KRWDZBQOSA-N 376.365 2.577 0 1 GFAF CCn1ncc(I)c1[C@@]1(C)NCCc2ccc(O)cc21 963330115 VQWHSHJELVSQHW-HNNXBMFYSA-N 383.233 2.622 0 1 GFAF Cc1cc(-c2c(C)nn(CCC(=O)N3CCc4ccccc4C3)c2C)nc(O)n1 1857613165 MNDHRJOQGOJKDV-UHFFFAOYSA-N 391.475 2.946 0 1 GFAF O=C(N=c1cc[nH]cc1)C(=O)Nc1c(C(=O)C2CC2)[nH]c2cc(Cl)ccc12 1911584895 UYPSPZLXFBWFLX-UHFFFAOYSA-N 382.807 2.808 0 1 GFAF CN(C)CCc1cc2c(cc1C=C1OC(=O)c3c1ccc1c3OCO1)OCO2 2356426418 XTKRQNDALPUYMD-UHFFFAOYSA-N 381.384 2.917 0 1 GFAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356727733 RUPBFDUQQBBEAU-MZKRTTBSSA-N 378.472 2.920 0 1 GFAF CCN(CC)c1ccc(NC(=O)CN2CCN(c3nc(C)cc(C)n3)CC2)cc1 2939681 RIROJFDGNNMEAS-UHFFFAOYSA-N 396.539 2.700 0 3 GFAF CN(C)C[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 5848717 VWXSNQMSAGBLPD-NSHDSACASA-N 391.418 2.701 0 1 GFAF CCC(=O)N1[C@H](C(=O)NCc2ccc(CC)cc2)CSC12CCN(C)CC2 6943625 HQCUQAWIPLHHIQ-SFHVURJKSA-N 389.565 2.641 0 1 GFAF COC(=O)c1ccccc1OCC(=O)NCc1ccc(OC(F)F)c(OC)c1 7096862 FTTSYVPVPAGOEV-UHFFFAOYSA-N 395.358 2.778 0 1 GFAF biogenic CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCC(C)C)ncnc21 82221627 CHRQVIJKHJEXDG-UHFFFAOYSA-N 380.496 2.816 0 1 GFAF O=c1[nH]c2ccc(N3CCC[C@H](O)C3)nc2nc1CSCc1ccccc1 82231298 WMYLWMFOBKQKGH-HNNXBMFYSA-N 382.489 2.713 0 1 GFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95893676 CEGBGEYQWQMGBL-XUVXKRRUSA-N 379.460 2.595 0 1 GFAF Cc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175535 NYWHRANFOZUPSG-UHFFFAOYSA-N 386.419 2.739 0 1 GFAF NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@H](CC1CC1)C21COC1 149293770 FKWYDOXONAHPDE-PBHICJAKSA-N 379.254 2.567 0 1 GFAF O=C(C[C@@H]1C/C=C\CCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1 169328858 XOSBLLGXOWRWPW-SWQCVOCJSA-N 392.883 2.752 0 1 GFAF Cc1cnc(NOC(C)C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 169693411 KTVHOVUGTUOCOY-GOSISDBHSA-N 395.463 2.995 0 1 GFAF COCc1ncnn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1 205296816 ZWVFFJIFPLUQDG-ZIAGYGMSSA-N 375.436 2.670 0 1 GFAF Cc1ccc([C@@H](Nc2c(Nc3ccc[nH]c3=O)c(=O)c2=O)[C@H]2CCCS2)o1 207395346 XETXTFIIXKTWPQ-ZIAGYGMSSA-N 385.445 2.665 0 1 GFAF Cc1ccc(NC(=O)c2cccnn2)cc1-c1ccnc(N2CCOCC2)c1 220602917 QFSJWERPFONKIA-UHFFFAOYSA-N 375.432 2.936 0 1 GFAF Cc1ccc2nc(Cn3c(=O)n(C4CC4)c4ccncc43)c(CCCCO)n2c1 299851694 ILTSOXVMRMHVSW-UHFFFAOYSA-N 391.475 2.852 0 1 GFAF O=C(COc1ccccc1-c1nc2c(O)ncnc2[nH]1)Nc1ccccc1F 587153919 FADKZJLHNBNMAU-UHFFFAOYSA-N 379.351 2.882 0 1 GFAF O=S(=O)(N[C@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1)c1ccc(F)cc1 587170826 TVJZXWMGDAKBSQ-MRXNPFEDSA-N 398.419 2.871 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587229461 AWVUJEGFZFQJCP-KGLIPLIRSA-N 385.443 2.924 0 1 GFAF COc1cc2c3c(c1)O[C@](C(=O)O)(C14C[C@H]5C[C@@H](CC(O)(C5)C1)C4)[C@@H](C2)C3=O 587451938 SEVVDOKNVOVCQY-UWZCIDOPSA-N 384.428 2.597 0 1 GFAF CCn1cc(N)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587656305 JGZGBKVQFVSXHB-UHFFFAOYSA-N 395.369 2.829 0 1 GFAF CC(C)COc1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2cc1Br 587970588 KXUSDBPEDAEORR-STQMWFEESA-N 397.225 2.859 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)C(=O)Nc2c(C(F)(F)F)cccc21 962923619 ITGUEROROXIUED-IBGZPJMESA-N 389.377 2.749 0 1 GFAF O=C([C@@H]1CCCN(c2ccc3nc(-c4cncc(F)c4)[nH]c3n2)C1)N1CCCC1 1772601110 HUSRXDWKJDYEBV-CQSZACIVSA-N 394.454 2.998 0 1 GFAF CS(=O)(=O)c1cc(-c2ccccc2)cc([S@@](=O)c2cnc(CN)s2)c1 1857543311 ICADULBBTPQEHK-XMMPIXPASA-N 392.527 2.839 0 1 GFAF COc1ccccc1-c1nc(C(N)=O)[nH]c1-c1ccnc(NC(=O)C2CC2)c1 1857557467 MIWKNDSMBBQRHQ-UHFFFAOYSA-N 377.404 2.595 0 1 GFAF Cc1cc(-c2n[nH]c3cc(NS(=O)(=O)NCc4ccccc4)ncc23)ccn1 1857563398 FPWWAEKIUQVAOY-UHFFFAOYSA-N 394.460 2.775 0 1 GFAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)NCc2ccco2)CC1 2356285945 BAVBZWWNFSAJQP-IPMKNSEASA-N 390.597 2.686 0 1 GFAF CC(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356529279 ZYSAQDSHHWKJOQ-MMKMLUHNSA-N 387.499 2.819 0 1 GFAF CC1=C2C[C@H](O)[C@@H]3[C@H](C)C(=CC(=O)OCCN(C)C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O 2356583797 IACCOBWNMQUOBF-AFLHIHGISA-N 391.552 2.922 0 1 GFAF CC[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)C(=O)N2)c1cccs1 6817300 PWEGFSWBJWARFZ-ZYHUDNBSSA-N 393.490 2.704 0 3 GFAF COc1ncccc1C(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1 12387468 DXUAQXPTDVNXNZ-UHFFFAOYSA-N 385.468 2.749 0 3 GFAF COc1ccc(-c2[nH]ncc2CN2CCN(C(=O)c3ccco3)CC2)cc1F 13595352 DHGSFSJXYSZXFM-UHFFFAOYSA-N 384.411 2.775 0 3 GFAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 2356362658 DNNZSDGXOAZXGM-NCYKPQTJSA-N 383.536 2.773 0 1 GFAF CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)O[C@H]2C[C@@H]3CC[C@@H]2C3)c1C 101091146 YUCQEDZULBKWMG-ZACQAIPSSA-N 389.496 2.623 0 1 GFAF Cc1nn(-c2ccccc2)c2c1N(CC(=O)NCc1ccccc1)C(=O)CS2 9686956 XNNZKGWQRKKYLY-UHFFFAOYSA-N 392.484 2.936 0 1 GFAF CCOc1ccccc1N(C)C(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O 100594938 LPLXIUGZJDSSNU-UHFFFAOYSA-N 376.416 2.891 0 3 GFAF O=C(O)C(Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)O 27105011 RQINCNIUAGVISL-UHFFFAOYSA-N 385.416 2.830 0 1 GFAF O=S(=O)(Cc1ccccc1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3o2)C1 2356755344 BHHXOSVFGRUPFD-YJBOKZPZSA-N 390.436 2.897 0 1 GFAF c1ccc(OCc2cn([C@@H]3CO[C@@H]4[C@H](NCC5CCCCC5)CO[C@@H]43)nn2)cc1 2356828204 ITOWZWWTAQIUIR-GXRSIYKFSA-N 398.507 2.734 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC 14646732 PFCOJAPJHVVASV-GJZGRUSLSA-N 386.400 2.713 0 1 GFAF biogenic CCOc1ccccc1C(=O)NCC1(N2CCN(C)CC2)Cc2ccccc2C1 72142467 HPJFFNWIDLWWHW-UHFFFAOYSA-N 393.531 2.600 0 1 GFAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(COC)nc12 138935229 GZJOODXEUFJDCY-UHFFFAOYSA-N 381.415 2.669 0 1 GFAF CN1CC[C@]23Cc4nc5cccc(O)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95559632 MOPHMVVEDCHXCA-WXFUMESZSA-N 388.467 2.674 0 1 GFAF CC(C)n1nc(-c2cnc3c(c2)C(C)(C)C(=O)N3)cc1C1CN(C2COC2)C1 146497557 FMQCNCIQEVUKLM-UHFFFAOYSA-N 381.480 2.554 0 1 GFAF CCOCC(C)(C)[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 95565006 UJFDLBWYYFZXDS-GCCKKIBJSA-N 382.497 2.734 0 1 GFAF in-man CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)c1cccc(F)c1 95895398 ZJXUDCKKEIQJBB-VAMGGRTRSA-N 399.466 2.504 0 1 GFAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4nnc(C)s4)ncc23)ccn1 261180535 VZIIRUGQJYTQKQ-UHFFFAOYSA-N 380.437 2.810 0 1 GFAF COc1cc2ccncc2cc1OC(=O)CCN1C(=O)NC(=O)[C@H]2CCCC[C@@H]21 618016142 STBJOJXXQQBKHS-HOTGVXAUSA-N 397.431 2.650 0 1 GFAF c1ccc(CC2CCN(CCCN3CCN(c4ncccn4)CC3)CC2)cc1 653730843 JPYWGNUWNWCHEH-UHFFFAOYSA-N 379.552 2.943 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C(C)=O)CC4)cc1)[C@@H](C2)C3=O 587441722 GYHILPVBNJHSAS-CVDCTZTESA-N 392.455 2.852 0 1 GFAF COC(=O)c1cc(OC)cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963234674 VEKJSTASYQUFSM-VQTJNVASSA-N 392.411 2.718 0 1 GFAF C[C@@]1(C2CCN(C(=O)C3=CCCC3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 12281623 PBJFOWFIPUJCCL-QFIPXVFZSA-N 399.466 2.985 0 1 GFAF CN(CCN(C)c1cnccn1)C[C@H](NCc1ccccn1)c1ccc(F)cc1 203807670 APHMJYSANZQSPT-NRFANRHFSA-N 394.498 2.910 0 1 GFAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2ccccc2n1 3818867 KJOPIOBFTIRSBW-MRXNPFEDSA-N 387.439 2.791 0 1 GFAF CCOC(=O)C[C@@H]1COc2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2C1 27328838 KAAYOGTWGNBKKY-CYBMUJFWSA-N 381.432 2.727 0 1 GFAF CN(C)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccc(Cl)cc21 28767293 ADHUPTQXZUIYGN-UHFFFAOYSA-N 379.869 2.705 0 1 GFAF O[C@@](Cn1cncn1)(Cn1nnc2ccccc21)c1ccc(Cl)cc1Cl 28894754 JNGOHDZGIOQQIB-KRWDZBQOSA-N 389.246 2.918 0 1 GFAF C1=CC(c2noc([C@H]3CCCN3Cc3cccnc3)n2)=C[C](N2CCCC2)N1 2356848224 BAKRDUJAZACGPS-GOSISDBHSA-N 377.472 2.887 0 1 GFAF O=C(O)/C=C\c1nc2c(C(=O)Nc3ccc(Cl)cc3)n3c(c2c(=O)[nH]1)CCC3 45318056 LYEHADSVWDVSBP-FPLPWBNLSA-N 398.806 2.674 0 1 GFAF O=C1Nc2ccc(Br)cc2C(c2ccccc2)=N[C@@H]1OCCO 49088358 XGTTZGULRZEUCT-QGZVFWFLSA-N 375.222 2.574 0 1 GFAF CN1CCN(C(=O)c2cccc(-c3nc4ccc(O)c(C=O)c4s3)c2)CC1 221064378 OMBCPYUBSRTKNV-UHFFFAOYSA-N 381.457 2.869 0 1 GFAF CN1c2ccc(NC(=O)c3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O 95588633 CVWIHCVTHLIUHE-UHFFFAOYSA-N 386.408 2.617 0 1 GFAF CSc1nc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(Cl)cc2)n1 143796301 VOHQBMBMUOZAMA-UHFFFAOYSA-N 380.882 2.957 0 1 GFAF CC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95895255 NIPDWBSESJFELC-VSKRKVRLSA-N 378.472 2.555 0 1 GFAF O=C(NCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1cccc(C(F)(F)F)c1 587113042 XTWBLVYMOHFSEQ-UHFFFAOYSA-N 399.350 2.758 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583841 VIBMAVZEVBEBHO-VPKVUBIPSA-N 397.427 2.607 0 1 GFAF COc1ccc2c(c1OC)[C@](C)(C(C)(C)n1cncn1)NCC21CCOCC1 963195737 WEDFSOIOVJAUHS-HXUWFJFHSA-N 386.496 2.597 0 1 GFAF COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3c(OC)ccc(OC)c32)cn1 963605700 HBFHCFKLRSDFNM-LRTDBIEQSA-N 386.448 2.750 0 1 GFAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(C)CCn1cccn1 963153485 WANJAGIDXZAXLR-ACJLOTCBSA-N 392.481 2.892 0 1 GFAF COC(=O)Cc1c(C2=Nc3ccccc3[C@]2(O)CC(=O)OC)[nH]c2ccccc12 5848148 WBWVDTAYKSZQHO-JOCHJYFZSA-N 392.411 2.769 0 1 GFAF CN(CCc1cnn(C)c1)C(=O)CCc1nnc(CCCc2ccccc2)o1 11661618 RGHIGPITBYXVEY-UHFFFAOYSA-N 381.480 2.612 0 3 GFAF O=C(Cn1cncn1)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 12758490 XTYIVYGHUDOTNH-SFHVURJKSA-N 387.915 2.692 0 1 GFAF COc1ccc(OCCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 13832624 DSQZYCDCIAEFNI-UHFFFAOYSA-N 395.503 2.893 0 1 GFAF C[C@@H](CCn1cccn1)NC(=O)c1coc(CN2CCc3ccccc3C2)n1 19772122 PKSIWPIKDQUIHX-INIZCTEOSA-N 379.464 2.638 0 1 GFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccncc1 203532231 KWVYNPDEZQGPAF-UHFFFAOYSA-N 387.823 2.963 0 1 GFAF NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccccc31)n2CCCCO 1857633472 ONQJPQGGUKJTCX-UHFFFAOYSA-N 390.487 2.846 0 1 GFAF O=C(CCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1)NO 146902092 VQOMRPVLCGWPHT-GOSISDBHSA-N 383.448 2.880 0 1 GFAF CC(C)CCn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccsc2c1=O 2925084 NGCKMSMLZJOIMB-CYBMUJFWSA-N 395.550 2.891 0 1 GFAF COCCNC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 8599935 ZYNGFEFDNZOFJY-UHFFFAOYSA-N 382.386 2.628 0 1 GFAF N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC12CC2 9133396 JPKXWJYRVJVZOY-ZDUSSCGKSA-N 391.830 2.755 0 1 GFAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@H]3O)cc(-c2ccccc2)c1 13807594 JXLHDKZZPKZBDM-GOSISDBHSA-N 376.416 2.978 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646744 GDOAQHHMFNQXLJ-CABCVRRESA-N 384.384 2.727 0 1 GFAF endogenous,in-man Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)c1 66075364 DCLTXESZXADNCF-UHFFFAOYSA-N 375.432 2.775 0 1 GFAF COc1cccc(CN2c3ccc(Br)cc3[C@H](O)CS2(=O)=O)c1 72138104 NBHQTLLSRPTQKY-MRXNPFEDSA-N 398.278 2.841 0 1 GFAF CCOC(=O)N1CCC(CN2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 95591410 RRTGKUQTNXZEPG-UHFFFAOYSA-N 385.508 2.909 0 1 GFAF CC(=O)N1CCC(c2cccnc2OC2CN(C(=O)OC(C)(C)C)C2)CC1 96168887 ZFJIGWBLGDXANH-UHFFFAOYSA-N 375.469 2.806 0 1 GFAF COc1ccc(CC(=O)OCCOC2=C(c3ccccc3)C(=O)OC2)cc1OC 96914298 FIVGSTJQSRAJDY-UHFFFAOYSA-N 398.411 2.774 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(OC)c2)cc1 100101597 INMDHFQDXGLXMO-UKTBEZCDSA-N 384.501 2.857 0 1 GFAF CNC[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(F)cc2)cc1Cl 103213898 MLEYXECALDJFKX-SFHVURJKSA-N 376.819 2.970 0 1 GFAF CSc1nn(-c2ccccc2)c2nc(Nc3ccccc3F)n(N)c(=O)c12 103220972 PTTCIMUROQCDSP-UHFFFAOYSA-N 382.424 2.901 0 1 GFAF CCN1[C@H]2CC[C@@H]1C[C@H](OC(=O)CCC(=O)O[C@@H]1C[C@@H]3CC[C@H](C1)N3CC)C2 103234039 OFFKZSGHNGBIJX-BVFILSHUSA-N 392.540 2.884 0 1 GFAF O=C(Nc1ccc(C(=O)N2CCC3(CCN3)CC2)cc1)N1Cc2ccncc2C1 167131775 LSEWCNXTUOZRNK-UHFFFAOYSA-N 391.475 2.597 0 1 GFAF CCOc1cccc(C(=O)[C@@H]2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(C)o2)c1 169687190 WGHTZYCMNVJQDY-QZTJIDSGSA-N 385.416 2.585 0 1 GFAF COc1cc(C(=O)n2nc(Nc3ccc(C)c(C)c3)nc2N)cc(OC)c1OC 299827601 LJAKQYQTFGHBMV-UHFFFAOYSA-N 397.435 2.935 0 1 GFAF Nc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1 299871896 ZJSZAJIVTPGWRO-KRWDZBQOSA-N 385.427 2.536 0 1 GFAF CN(C)C[C@@H]1Cc2ccccc2[C@@]2(C)C[C@@]3(C(=O)Nc4ccccc43)C(=O)N12 473125485 PYTLNKIXAVDVTP-PBNUPURSSA-N 375.472 2.511 0 1 GFAF O=C(O)c1cc(Br)cc2nc(CSc3cccc[n+]3[O-])[nH]c12 586970407 ZIHDMERUCPOMFM-UHFFFAOYSA-N 380.223 2.949 0 1 GFAF COc1nccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 587184961 HWWKPLIRHNAMKS-NSHDSACASA-N 394.216 2.814 0 1 GFAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CC[C@@H](N)C4)[nH]c3c2)cc1 587245994 CEJNITHTFYCNNZ-QWHCGFSZSA-N 386.477 2.967 0 1 GFAF Cc1nc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)co1 1772587033 GBRGCYPLTRHZCZ-ACZUWMGVSA-N 393.494 2.583 0 1 GFAF C[C@@H](O)c1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)cc1 1911576049 FSNBHIJYWMXLPZ-CYBMUJFWSA-N 389.463 2.694 0 1 GFAF CC1=C[C@H](CNC(=O)NC(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 2356743231 LZILUPAEBYWYLC-XUVXKRRUSA-N 392.588 2.713 0 1 GFAF COc1ccccc1C[C@@H](O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C 4062093 GTNAWQUISZAGQC-IAGOWNOFSA-N 385.460 2.955 0 3 GFAF COc1ccccc1OC[C@H](CNC(=O)Oc1ccc(NC(C)=O)cc1)OC 27321605 KJFVDCSVSFQOPY-KRWDZBQOSA-N 388.420 2.836 0 1 GFAF CC(C)C(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 28104609 WXJKTTVGVITSOL-XWGGYKFUSA-N 395.499 2.862 0 1 GFAF O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)c1ccccc1 64553527 FAHSOSPRDWQWIH-UHFFFAOYSA-N 393.487 2.697 0 1 GFAF c1ccc(-c2cc(N3CCOCC3)nc3nc(N4CCOCC4)ccc23)cc1 32063600 VALMOXRAOQAKTB-UHFFFAOYSA-N 376.460 2.970 0 1 GFAF Nc1nc(Cl)c2ncn(CCC[C@@H](c3ccccc3)P(=O)(O)O)c2n1 31851676 WPPBSFQOQFLEDC-NSHDSACASA-N 381.760 2.761 0 1 GFAF O=c1c2ccccc2nc2sc(NS(=O)(=O)c3ccc4c(c3)CCC4)nn12 72137793 YWSAUYXVUBCACW-UHFFFAOYSA-N 398.469 2.594 0 1 GFAF CN1CCC(C(=O)N2Cc3c(n[nH]c3NC(=O)c3ccc(F)cc3)C2(C)C)CC1 34104559 IRQVBNQXTXFQTM-UHFFFAOYSA-N 399.470 2.720 0 1 GFAF O=C1c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H](O)c2cc(O)cc(O)c21 14637624 QLUPKRIWOVDUPU-PXNSSMCTSA-N 380.352 2.625 0 1 GFAF biogenic CCOC(=O)CCc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231678 SFBIYFXNTMTPKB-YOEHRIQHSA-N 384.480 2.973 0 1 GFAF Cc1ccsc1C(=O)N1CCN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CC1 45315664 JVNJNHPCULRSJG-UHFFFAOYSA-N 399.447 2.844 0 1 GFAF CCN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CC1)C(=O)c1ccccn1 95895652 YIACDIBXRYVPNT-FKBYEOEOSA-N 379.504 2.783 0 1 GFAF O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2cnccn2)C1 95565180 ZOBLHYIDECUIHB-UHFFFAOYSA-N 375.219 2.698 0 1 GFAF COC(=O)C1=C2CCC3=C2[C@@]2(C1)C(=O)[C@H]1C[C@@]4(O)N(C[C@H]1C)C[C@@H](CC3)[C@]42C 653803756 VJXKSOWKEXWLGU-PLNFOGQJSA-N 383.488 2.596 0 1 GFAF O=C1C[C@@]2(CC=Cn3c2ncc(C(=O)O)c3=O)Oc2c1ccc1c2CCCC1 587528372 YJAJTZLVCAWCSP-OAQYLSRUSA-N 378.384 2.555 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O 587447871 FQFHNPQCTSHELD-SGTLLEGYSA-N 393.848 2.659 0 1 GFAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(S(N)(=O)=O)ccc2[nH]1 587149669 PGDUQXLRWOQPQG-UHFFFAOYSA-N 389.387 2.556 0 1 GFAF COC(=O)Cc1cc(OC)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1OC 587938530 YXSRZLVMXVKFBM-UHFFFAOYSA-N 396.399 2.970 0 1 GFAF COc1ccc(N2C[C@@H](C(=O)n3ncc4ccc(Cl)cc4c3=O)CC2=O)cc1 587654524 KXTIBPPTAPGJEJ-ZDUSSCGKSA-N 397.818 2.752 0 1 GFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1ccccc1-c1nn3nnnc3nc12 962946853 MBBYBOVSQDRGOQ-AMXDTQDGSA-N 394.442 2.592 0 1 GFAF COc1cc(C(=O)O)c(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl 13673975 OGQQBJREOAKVPS-UHFFFAOYSA-N 382.731 2.853 0 1 GFAF O=C1NC[C@@H](CC2CCCCC2)C(=O)[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1 169727276 ODEXRFIYCPSBSB-VQIMIIECSA-N 394.475 2.713 0 1 GFAF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(-n4cncn4)cc3)C2)cc1OC 1857545458 UKCXZPYLFIKBLZ-IBGZPJMESA-N 391.431 2.982 0 1 GFAF Cn1c(-c2cnnn2CC(=O)O)nc(-c2ccc(F)cc2)c1-c1ccncc1 103258517 XIBMCFIOXRRCSB-UHFFFAOYSA-N 378.367 2.631 0 1 GFAF O=C(NCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)/C=C/c1ccccc1 29223682 UWZYWPDFYNJEEU-BBKFTCMMSA-N 384.501 2.810 0 1 GFAF O=C(O)C[C@H]1CCN(C(=O)c2cccc(F)c2)C[C@H]1Cc1nc2cnccc2[nH]1 2356588261 NIMHPVMUVISVMY-UKRRQHHQSA-N 396.422 2.893 0 1 GFAF NS(=O)(=O)c1ccc(/C=C2/C(=O)Nc3ccc(Br)cc32)cc1 64560257 WKEXHYHSAHUFKA-NTUHNPAUSA-N 379.235 2.589 0 1 GFAF N#Cc1ccc2nc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)[nH]c2c1 218276872 SRYWIXAMNRCZBU-UHFFFAOYSA-N 384.399 2.775 0 1 GFAF C[C@H](O)[C@H]1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)C1 225553909 PKMNBMNENSNPSE-ZFWWWQNUSA-N 389.463 2.628 0 1 GFAF Cn1cc(-c2ccc3[nH]nc(-c4cc(N5C[C@@H]6CC[C@H](C5)O6)ncn4)c3c2)cn1 221104807 NJYACNPJXDDAQI-IYBDPMFKSA-N 387.447 2.788 0 1 GFAF COc1ccc(C(=O)OCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC 95585811 ZVBIOWHNUFCMRG-INIZCTEOSA-N 386.448 2.606 0 1 GFAF CC(C)(C)OC(=O)N1CCC[C@]2(CCc3nc4nc(O)nc(O)c4cc3C2)C1 587556744 DJUIAFKFUJMTKT-HXUWFJFHSA-N 386.452 2.942 0 1 GFAF CCOC(=O)c1cccc([C@@]2(C(=O)OCC)NCCc3c2c(C(C)C)nn3C)c1 962917554 FRQQOQMKVAKSJV-JOCHJYFZSA-N 399.491 2.673 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(-c3nnc(O)o3)c12 1772601000 ADEMCJMRJWSOKD-SECBINFHSA-N 395.379 2.605 0 1 GFAF NC(=O)CCCCC[C@H](CNS(=O)(=O)c1ccccc1)c1cccnc1 13730287 XLAYHEAUOHRNHS-QGZVFWFLSA-N 375.494 2.580 0 1 GFAF CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169300757 RJLMGMCXBGHCTN-PZTGFMGMSA-N 398.484 2.828 0 1 GFAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4295935 QYZZSINNHNEXJF-DLVCFXQMSA-N 398.459 2.683 0 1 GFAF CCc1nnc(NC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)s1 7001967 MTJBDBCEGPAEPO-LLVKDONJSA-N 389.510 2.598 0 1 GFAF O=C(Nc1ccc2c(c1)CN(C(=O)CSc1ccccn1)CC2)[C@H]1CCCO1 11665111 NTDPWQOSVVYYRU-GOSISDBHSA-N 397.500 2.876 0 1 GFAF CCCNC[C@@H](O)Cn1c(C)c(C(=O)c2ccccc2)c(=O)n1-c1ccccc1 13555944 ZDTBXQFNLCGHOS-HXUWFJFHSA-N 393.487 2.539 0 1 GFAF COc1cc(O)c(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O 15271494 KMDMMDZJQFJXCU-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic,in-vitro O=C(C(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12 28770137 QCDKBYHARZQRIV-KRWDZBQOSA-N 389.455 2.906 0 1 GFAF O=C(Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12)OCc1ccccc1 29047974 NTKBYWUUPVSREW-UHFFFAOYSA-N 390.284 2.550 0 1 GFAF CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc21 36640225 JUVAPNNNDTXRAN-UHFFFAOYSA-N 389.458 2.978 0 1 GFAF C[C@@H](c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(C(=O)C(C)(C)C)CC1 45321438 BLBDOKQXROFICF-ZDUSSCGKSA-N 390.915 2.838 0 1 GFAF C[C@@H]1CC(N)=N[C@H](C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccccc2)C1 64746420 DAHQXGAQQOLJFX-NBMJBFSESA-N 394.510 2.518 0 1 GFAF in-vitro COC1=C[C@@]2(Oc3ccc(-c4ccc5c(c4)OCO5)cc3C2=O)C(OC)=C[C@@H]1O 73166562 UAGMWZCUVFUKDE-OYHNWAKOSA-N 394.379 2.831 0 1 GFAF NC1(Cc2ccccc2)CCN(S(=O)(=O)c2cccc3cnccc23)CC1 96911015 UNXZAUBGJWJTCA-UHFFFAOYSA-N 381.501 2.960 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2ccc(nc2)OCCCCOc2ccc(Cl)c1c2 103260917 DPBYUKDFQVKXHU-INIZCTEOSA-N 390.823 2.712 0 1 GFAF CCNC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167387365 IOPSMXHHRYDANP-ZDUSSCGKSA-N 398.438 2.628 0 1 GFAF CNc1nc(Nc2cc3c(cc2OC)C(=O)N(C)CC3)ncc1C(F)(F)F 169704571 JLUOKDONXAKPEB-UHFFFAOYSA-N 381.358 2.917 0 1 GFAF COc1ccc(/C=C/C(=O)O[C@@H]2[C@H]3OC(=O)C[C@H]3O[C@@H]2Cc2ccccc2)cc1 299828394 RCTXRQAKSGSZFR-JMBODPFDSA-N 394.423 2.946 0 1 GFAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2c1 586945088 VNRGTRCBZJADNS-UHFFFAOYSA-N 397.840 2.621 0 1 GFAF O=C1CC=C(c2nc3cc4nc(O)[nH]c4cc3[nH]2)NN1Cc1ccc(F)cc1 587162421 AUOCQWNMAVSREY-UHFFFAOYSA-N 378.367 2.562 0 1 GFAF C[C@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173309 BNEWURBQBWHWDJ-QGZVFWFLSA-N 376.365 2.577 0 1 GFAF COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587379897 MHTUCANYLAVQOY-UXHICEINSA-N 387.819 2.552 0 1 GFAF COc1ncnc(OC)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584501 AOQSBRAPQSECHO-KSSFIOAISA-N 380.356 2.902 0 1 GFAF CCn1cc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)no2)c(C)n1 587652728 GSYKRHAKGJVHBK-UHFFFAOYSA-N 383.795 2.918 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)C2CCOCC2)N1 587756934 SKIDXDOKNSXLLI-HZMBPMFUSA-N 385.277 2.706 0 1 GFAF CCN1C(=O)c2cccc3c(S(=O)(=O)NC[C@]4(C)CC(C)=NO4)ccc1c23 653737371 GDVVXKDWNBQOCY-IBGZPJMESA-N 387.461 2.653 0 1 GFAF CCCCc1ccc([C@H]2C[C@@H](N=c3[nH]c4cc[nH]c4c(=O)n3C)CN(C)C2)cc1 1857554768 UQXYUSOVVAUCIZ-RBUKOAKNSA-N 393.535 2.926 0 1 GFAF COc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)cc1 1857650838 QNWACSHPUOALOM-UHFFFAOYSA-N 380.444 2.919 0 1 GFAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C3CCCC3)CC2)cs1 2356456221 VMCJGJVESDYNQU-KRWDZBQOSA-N 379.570 2.980 0 1 GFAF CCCCC(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)[C@@H]3CO[C@H](CCC(C)C)[C@H](O)[C@@H]3C[C@H]12 2356721769 NUKSXBQXIWCMAT-XYNSDBOHSA-N 394.508 2.695 0 1 GFAF CN(Cc1ccccc1)C(=O)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61903128 HULPOQXSPYTEOU-RCCFBDPRSA-N 398.484 2.752 0 3 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2cc(C(F)(F)F)no2)s1 7005409 JZYYSQAABGUMJI-QMMMGPOBSA-N 382.385 2.879 0 1 GFAF CN1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@@H]1c1ccccc1 23360706 IOALHQVTLJSFFO-QGZVFWFLSA-N 378.432 2.954 0 1 GFAF N[C@H]1C[C@@H]2CC[C@H](C1)N2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 101799037 DSZNDPYATDNBQS-WLLOZRIZSA-N 389.402 2.771 0 1 GFAF O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)Nc1nccs1 103976208 NUYBZSYHGJISDI-UHFFFAOYSA-N 384.446 2.660 0 1 GFAF COc1cc(C(=O)c2c(OCC(N)=O)ccc3ccccc23)cc(OC)c1OC 40567687 ZFRQBQBRDNPDJK-UHFFFAOYSA-N 395.411 2.961 0 1 GFAF Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCCc3ccccn3)co2)cc1 82074039 LWGDXNZZBDJRFU-UHFFFAOYSA-N 379.416 2.903 0 1 GFAF NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@@H](CC1CC1)C21COC1 149293564 FKWYDOXONAHPDE-WMLDXEAASA-N 379.254 2.567 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCCC1 95667160 LPSLPEVHRUOOFG-VQTJNVASSA-N 399.535 2.728 0 1 GFAF CCN(C)c1ccnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 261182388 WJHHODXQTYKHSO-HNAYVOBHSA-N 383.496 2.788 0 1 GFAF CCCCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O 299848107 DPCYMSIIVSZILS-SJLPKXTDSA-N 398.891 2.842 0 1 GFAF CC1CCC(NC(=O)c2cc3cccnc3n(CCCCC(=O)O)c2=O)CC1 299832668 KCPJRFQVOBFQRW-UHFFFAOYSA-N 385.464 2.960 0 1 GFAF CC(=O)OCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587762034 WTJKRVUKTCOWTH-QGHHPUGFSA-N 396.260 2.971 0 1 GFAF COc1cc(OC)c2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c1 587202198 GMMBCLNWPWOCMN-OAHLLOKOSA-N 399.403 2.502 0 1 GFAF CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 586955464 YURXYQVGIHRLMS-UHFFFAOYSA-N 396.822 2.879 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 586936317 LNAAYEVTAAEKTL-LLVKDONJSA-N 397.913 2.731 0 1 GFAF C=CN1CC[C@H]([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)C1=O 962891222 CTYGICARYPUJQG-CNNODRBYSA-N 380.419 2.660 0 1 GFAF C[C@@H]1CN(c2ccc([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)cn2)C[C@@H](C)O1 962924534 KMQJQTGLJGPHSX-MCFFVMPBSA-N 394.519 2.632 0 1 GFAF COCCNC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)cc3)oc2C)C1 5044081 IYLOHDWJKQWIBF-KRWDZBQOSA-N 387.480 2.633 0 1 GFAF COc1ccc2c3c1O[C@@H]1[C@]4(OC)C=C[C@]5(C[C@H]4C(C)=O)[C@@H](C2)N(C)CC[C@]315 1639233 DGSADVAMZWFCMP-JYFOQHDFSA-N 381.472 2.505 0 1 GFAF CN(C)C(=S)SC(=S)N1CCN(C(=S)NC2CCCCC2)CC1 1857745998 KEKKGKYOHSQLOZ-UHFFFAOYSA-N 390.669 2.676 0 1 GFAF C[C@H]1CCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 149594779 UKQGIZHKRHTOKI-SWLSCSKDSA-N 394.443 2.858 0 1 GFAF O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCCc1ccc(Cl)cc1 4790435 CZAWQMWJAXKEAK-UHFFFAOYSA-N 391.880 2.544 0 1 GFAF COc1cc(C[C@@H](C(=O)O)[C@@H](CO)Cc2ccc(OC)c(OC)c2)ccc1O 13372344 WFRZWIDPAWVEAS-HZPDHXFCSA-N 390.432 2.513 0 1 GFAF biogenic COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1 13554867 FQZFDCXROFCGHP-UHFFFAOYSA-N 390.363 2.913 0 1 GFAF O=C(c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1)N1CCOCC1 27864663 BWEDOKYJJLTVPL-UHFFFAOYSA-N 375.856 2.644 0 1 GFAF COc1ccc(COC[C@@H](Cn2ccnc2)OCc2ccc(C(N)=O)cc2)cc1 29328681 NEHYSCKOVZXSOM-OAQYLSRUSA-N 395.459 2.793 0 1 GFAF CC(C)(C)c1ccc([S@@]2=NS(=O)(=O)c3cc(S(N)(=O)=O)ccc32)cc1 73164192 CZRINGAGTKOOGM-HSZRJFAPSA-N 398.531 2.554 0 1 GFAF O=c1c(F)c(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12 73294571 UMOMABKQZQXMHW-UHFFFAOYSA-N 397.237 2.827 0 1 GFAF Nc1nc(Nc2ccc(OCCN3CCCC3)c(F)c2)nn1-c1ccccn1 137630521 KBRBXIZYOCIACM-UHFFFAOYSA-N 383.431 2.602 0 1 GFAF CN1C(=O)[C@@H](C(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2S1(=O)=O 139467712 RUWCNSLWWCWTSU-CQSZACIVSA-N 399.255 2.876 0 1 GFAF C[C@H](c1nnc2c(F)cc(-c3cnn(C)c3)cn12)n1ccc2ncccc2c1=O 139792551 SFSZKIHBSGGKAC-GFCCVEGCSA-N 389.394 2.588 0 1 GFAF O=C(CCc1ccccc1)N(Cc1nc2c(c(=O)[nH]1)COCC2)CC1CCCC1 142827130 GDYRFMSMNIFVIC-UHFFFAOYSA-N 395.503 2.994 0 1 GFAF CC(C)NC[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 169318966 DERGTSKZILREBL-OAHLLOKOSA-N 383.897 2.911 0 1 GFAF NC1=N[C@@](c2cc(NC(=O)c3coc(CF)n3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226082361 ZMWQZZXSNRHAOY-DKRRZFASSA-N 398.316 2.729 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)o1 586930903 JZUGNJBGLDERHH-UHFFFAOYSA-N 375.328 2.972 0 1 GFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 586931198 YKTWIECXLCMPQA-UHFFFAOYSA-N 395.535 2.628 0 1 GFAF Cc1c(I)cnn1[C@H](C)c1nc2c(Cl)ncnc2[nH]1 587182903 UAKNOOCSBNEUOM-ZCFIWIBFSA-N 388.600 2.725 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@@]1(CS(=O)(=O)O)C4(C)C)[C@@H](C2)C3=O 587451467 YEJDXYDUWAXDHP-MLGOKKRCSA-N 392.473 2.896 0 1 GFAF O=C(O)c1cc2n(n1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584524 ATEDJJFAEZPLSV-LAUBAEHRSA-N 392.367 2.938 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(CC(=O)c1ccc3c(c1)OCCO3)NCC2 962929919 JJBVHZJEMXZBAY-HSZRJFAPSA-N 394.471 2.794 0 1 GFAF COC1([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CCOCC1 962973249 JSNWKLLNZQVRMY-BLLLJJGKSA-N 375.799 2.628 0 1 GFAF CCOC(=O)[C@@H](Cc1ccccc1)[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963526254 NZOGDPAAXFGYKS-BJLQDIEVSA-N 383.444 2.763 0 1 GFAF Cc1cc(=O)oc2cc(OCCSC(=S)N3CCC(O)CC3)ccc12 1857744916 MOHNRJWEVQPPQK-UHFFFAOYSA-N 379.503 2.955 0 1 GFAF COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)o2)cc1 4924563 IHZKSLHMVOYCQW-UHFFFAOYSA-N 386.429 2.587 0 3 GFAF aggregator Cc1ccc(-[n+]2noc(O)c2CN2CCN(c3cccc(Cl)c3)CC2)cc1 103194323 MCWXXMHWJGEDEY-UHFFFAOYSA-O 385.875 2.941 0 1 GFAF CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1 103250522 IIBNWMLKRSXDKD-UHFFFAOYSA-N 382.449 2.947 0 1 GFAF Cn1cc(-c2cnn3c(N)c(-c4cccs4)c([C@@H]4CCCNC4)nc23)cn1 60327802 HWVNKNIQOWTEQJ-GFCCVEGCSA-N 379.493 2.908 0 1 GFAF COc1cccc(-c2ccc([C@H]3C[C@@H]3NCC(=O)N3CCN(C)CC3)cc2)c1 68204270 MSZMRGOZLUCVDL-YADHBBJMSA-N 379.504 2.582 0 1 GFAF COc1ccc2cc3[n+](cc2c1OCCCO)CCc1cc2c(cc1-3)OCO2 64527031 YOZCQCKVTPXXTN-UHFFFAOYSA-N 380.420 2.849 0 1 GFAF CS(=O)(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 38239092 PHMPGOJWLISPFK-OAHLLOKOSA-N 399.515 2.740 0 1 GFAF C[C@@H]1c2nnc(-c3nc(C(C)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 218565372 UZZXVHHPLPQWGG-SECBINFHSA-N 392.341 2.796 0 1 GFAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCCOc1cccc2c1CCCC2 38209298 HAWLNWMPWCIBNB-LJQANCHMSA-N 385.508 2.741 0 1 GFAF Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1 40404561 YPFKJHJILXIYNQ-UHFFFAOYSA-N 376.416 2.820 0 1 GFAF CO[C@H]1[C@@]2(C)[C@H](CC[C@H](OC(=O)/C=C\SC)[C@@H]2C)C[C@@]23OC(=O)[C@H](C)[C@@]12O3 85642929 ULNGGZOBSDELFB-ZRQLWAKNSA-N 396.505 2.904 0 1 GFAF biogenic CN(C)C(=O)c1cc(Cl)cc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O 137978884 JMUNTWLFBDHKSN-UHFFFAOYSA-N 385.807 2.831 0 1 GFAF CCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 82210125 MIXAKQOEGLLSGM-HKUYNNGSSA-N 388.512 2.573 0 1 GFAF CN(CC(=O)OC[C@H]1CCCN1C)C(=O)c1csc(Nc2ccccc2)n1 82085857 HCGGFDFTZMAQOU-OAHLLOKOSA-N 388.493 2.596 0 1 GFAF CN1C(=O)N(Cc2ccccn2)C[C@@H]1C(=O)NCc1ccc(F)c(F)c1Cl 95566110 RNNCOPSGNGGWHA-CQSZACIVSA-N 394.809 2.566 0 1 GFAF CO[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@](CCC4=O)(O3)O2 143143251 TVCMYNVBJFGZDU-MAODMQOUSA-N 380.352 2.777 0 1 GFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586958285 HHPCVAYAHPQXOF-CQSZACIVSA-N 387.248 2.734 0 1 GFAF C=C1NC(=O)C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)=C(C)N1 587798664 VANLAZIWLLIOPP-RBHXEPJQSA-N 380.261 2.802 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)NC)cc1)CC2=O 587490905 ZXGHAIXRKPVHBU-SFHVURJKSA-N 375.446 2.959 0 1 GFAF COc1ccc(N2C[C@H](C(=O)n3ncc4ccc(Cl)cc4c3=O)CC2=O)cc1 587654523 KXTIBPPTAPGJEJ-CYBMUJFWSA-N 397.818 2.752 0 1 GFAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(C)nc(C)cc3[nH]2)c1 587231159 MFZKVLONKBDORO-UHFFFAOYSA-N 395.463 2.522 0 1 GFAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 586951088 SUDBCEKZMQQJIM-UHFFFAOYSA-N 381.508 2.747 0 1 GFAF O=C(O)Cc1ccc(Cc2nc3cc(I)cnc3[nH]2)cc1 587960804 FRJHYBJBRWXYDC-UHFFFAOYSA-N 393.184 2.780 0 1 GFAF Cc1ccnc2c1CCN[C@@]21CCN(C(=O)OC(C)(C)C)C[C@H]1CCCO 963069312 DGQDTGMDYCZRHS-IIBYNOLFSA-N 375.513 2.761 0 1 GFAF Cc1c(F)ccc(NC(=O)c2cccc(S(=O)(=O)NC3(C)COC3)c2)c1C 221644173 GLXSHTMXOQGDJM-UHFFFAOYSA-N 392.452 2.762 0 1 GFAF CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]cnc3c2)CC1 13819783 SMACVUOAVLWPKO-MRXNPFEDSA-N 376.526 2.838 0 1 GFAF CCOc1ccc2nc(N3CCC[C@H](NCc4n[nH]c(C)n4)CC3)nc(C)c2c1 15007110 VDZJVNPZQTVLRL-INIZCTEOSA-N 395.511 2.912 0 1 GFAF Oc1ccc(N2CCN(C[C@@H](O)COc3cccc4ccccc34)CC2)c(O)c1 1857600577 REVIVPUSKPEBSK-LJQANCHMSA-N 394.471 2.813 0 1 GFAF CC(=O)Nc1ncc(CN2CC[C@@]3(CCN(c4cc(C)nc(C)n4)C3)C2)s1 1857608437 STVCSJOIRVREDB-LJQANCHMSA-N 386.525 2.611 0 1 GFAF C=[S@@](O)(=NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(C)cc1 1857611650 LPIWNCIFLFUGPL-VWLOTQADSA-N 392.502 2.894 0 1 GFAF CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C(=O)O)[C@H](C)CC)ccc12 16042741 LUZBZTTVHIEOPE-CWTRNNRKSA-N 375.421 2.740 0 1 GFAF biogenic N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4cccc(Cl)c4)C3)c[nH]c21 28465581 AJIYTACJJDEROQ-CDHAZOANSA-N 391.928 2.664 0 1 GFAF COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccccn2)n1 35425005 KMFXSJPAJIXUPH-KRWDZBQOSA-N 381.436 2.889 0 1 GFAF biogenic CC(C)(Cc1cc(F)cc(F)c1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 35849291 UWQJICGNPSDFOS-KRWDZBQOSA-N 392.402 2.646 0 1 GFAF COc1ccc2c(=O)c(-c3ccc(OC[C@@H](O)CNC4CC4)cc3)coc2c1 49037346 QRONGSZTGATKJM-INIZCTEOSA-N 381.428 2.960 0 1 GFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc(OC)cc1 95893862 SHFUOGPGKDYKCR-FDFHNCONSA-N 395.503 2.964 0 1 GFAF CCNCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O 142735430 RDYHYAYRBILGMK-UHFFFAOYSA-N 381.432 2.536 0 1 GFAF C[C@@H](c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1)N1CC(c2ccc(F)cc2)C1 205448472 ZICYIWODUOLSGV-ZDUSSCGKSA-N 397.454 2.611 0 1 GFAF COC(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2n1 587144040 HQKREQGUOQIWFV-NSHDSACASA-N 393.216 2.889 0 1 GFAF CC[C@H](C)n1ncc(I)c1-c1nc2nccc(N)c2[nH]1 587181043 LWWJJVNOQDQHKJ-ZETCQYMHSA-N 382.209 2.979 0 1 GFAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2cccc(Br)c2)C1 587365798 HIJDKLOPQHDIDG-NSHDSACASA-N 386.205 2.846 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2CCN(C)CC2)N1 587765957 LKIVERFEHASEEW-FZKQIMNGSA-N 384.337 2.975 0 1 GFAF CN(c1ccc(-c2csc(-c3cccc(C(N)=O)c3)n2)cc1)S(C)(=O)=O 587923623 AYGAILRHFIVYGG-UHFFFAOYSA-N 387.486 2.972 0 1 GFAF Cc1cncc(-c2cc3c(ccn3-c3cccc(N4CCCNCC4)n3)cn2)n1 1772587487 GFWDUDFEFKZZQI-UHFFFAOYSA-N 385.475 2.986 0 1 GFAF CS(=O)(=O)c1cc(-c2ccccc2)cc([S@](=O)c2cnc(CN)s2)c1 1857543310 ICADULBBTPQEHK-DEOSSOPVSA-N 392.527 2.839 0 1 GFAF CN1CC2(CCC1=O)CCN(NC(=O)[C@H]1[C@@H](c3ccc(F)cc3)C1(C)C)CC2 1857771376 YLDKFTRUCXWSFT-RTBURBONSA-N 387.499 2.931 0 1 GFAF CC1(C)[C@@H](O)CC[C@]2(C)O[C@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@@H]12 2356866111 VMFJYKZEDLREMS-IDPBPBMLSA-N 392.448 2.860 0 1 GFAF COC(=O)[C@H]1CCCCN1C(=O)c1cc(COc2cccc3cnccc23)on1 12208833 WZOACPGPUOPVQA-GOSISDBHSA-N 395.415 2.970 0 3 GFAF O=C(C(=O)N1CCN(C(=O)C2CCCC2)CC1)c1cccc(C(F)(F)F)c1 199719750 MNXUSSRVYFRIAU-UHFFFAOYSA-N 382.382 2.749 0 3 GFAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)C1 4051151 BDXHQTVNOYZSIB-SBHAEUEKSA-N 377.444 2.515 0 1 GFAF O=C(c1cccn2c(=O)c3sccc3nc12)N1CCN(c2ccccc2)CC1 4767597 QIMKIAQGERPSPD-UHFFFAOYSA-N 390.468 2.872 0 1 GFAF CN1CCCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 58583250 PGNIUXGQLVHGHX-FQEVSTJZSA-N 380.471 2.587 0 1 GFAF O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@H]([C@@H]35)N2Cc1ccc(I)cc1 101668996 LTAWJWNPMAZAIW-LJJLULSFSA-N 391.252 2.552 0 1 GFAF COc1cccc(NC(=O)N2CCN3C(=O)N(Cc4ccccc4)C[C@@H]3C2)c1 2356299297 FAOAOTJOFMIJDJ-SFHVURJKSA-N 380.448 2.849 0 1 GFAF CC1(C)O[C@@H]2CO[C@@]3(COC(=O)Nc4ccccc4)OC(C)(C)O[C@@H]3[C@@H]2O1 27989806 DNTTVFLQOKHLPY-GPINWOSQSA-N 379.409 2.633 0 1 GFAF CC(C=CC=C(C)[C@H](O)[C@H](C)[C@H](O)C[C@H](O)[C@@H](C)C(=O)O)=Cc1coc(C)n1 2356516542 AVEFIVAPRNVNCS-LQQYDMKDSA-N 393.480 2.718 0 1 GFAF CCN(Cc1ccccn1)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F 27414993 GHRUVPXGNRYXAK-KRWDZBQOSA-N 386.427 2.709 0 1 GFAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC=C[C@]([C@H](C)OC(C)=O)(C1)[C@H]23 2356753451 YBXUUELSZBVEKX-KUDPUMEOSA-N 394.471 2.763 0 1 GFAF CS[C@H]1NC(=O)[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)N(C)C1=O 2356796741 NMQSSHOBHPHGEF-APWZRJJASA-N 394.562 2.911 0 1 GFAF CNc1nc(Nc2ccc(C(=O)N3C[C@@H]4C[C@H]3CO4)cc2OC)ncc1Cl 149549337 IDHZNDGYRNMSEU-RYUDHWBXSA-N 389.843 2.537 0 1 GFAF COC1=C(c2ccccc2)C(=O)O[C@@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 95594063 BDKJWIMCKYLJNX-TZIWHRDSSA-N 399.418 2.679 0 1 GFAF CCOC(=O)c1nn(C)c2c1CCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432912 SRMSNRKKQCARNV-SPLOXXLWSA-N 382.416 2.585 0 1 GFAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 586940660 BSGAUNUUWJLTGM-SREVYHEPSA-N 397.382 2.722 0 1 GFAF Cn1cc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587339923 GXTJFQHZGIPARG-PXNSSMCTSA-N 382.347 2.604 0 1 GFAF COC(=O)C1=C2CCCN2C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523876 HYJUREDPSABBOD-JOCHJYFZSA-N 381.428 2.723 0 1 GFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(F)cc(Br)c2[nH]1 587204339 QAVLGIOMANNSSV-NSHDSACASA-N 385.237 2.543 0 1 GFAF NC1=COc2ccccc2[C@@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962669692 QBYPEWMWCSTUGU-PKTZIBPZSA-N 387.439 2.770 0 1 GFAF COc1nc(CO)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl 116959594 NGOIQYFFFYXUMM-UHFFFAOYSA-N 398.655 2.739 0 1 GFAF COC[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)[C@@H](O)c1ccccc1 1772586830 OXNMNUGGLVTVDA-ICSRJNTNSA-N 381.432 2.564 0 1 GFAF Cc1nc([C@H](CN)NC(=O)c2ccc(-c3ccc(F)c(F)c3)[nH]2)sc1CO 1772613418 SZESHJBVXSZFHI-HNNXBMFYSA-N 392.431 2.647 0 1 GFAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NC[C@H]3CCOC3)cc1)C2 166194770 LBEZZMDVFAUHIA-MRXNPFEDSA-N 390.443 2.872 0 1 GFAF CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c1 205218618 LNIPWIWSAFVWGP-UHFFFAOYSA-N 386.473 2.998 0 3 GFAF Fc1ccc2c(c1)nnn2C1CCN(Cc2nnnn2C2CCCCC2)CC1 4400598 DNVSRJIADMEIRA-UHFFFAOYSA-N 384.463 2.899 0 3 GFAF O=C(NCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)Nc1ccccc1 1889514 HRVYTGNRRMKBEH-MRXNPFEDSA-N 385.445 2.781 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]21C 14782162 BMPRGPGLZWJNOP-YEMSHPTISA-N 378.465 2.897 0 1 GFAF endogenous,in-man N=C(N)c1cccc(OCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 26383387 SNRIVEIAFDKVBJ-UHFFFAOYSA-N 380.448 2.614 0 1 GFAF O=c1[nH]c2ccccc2n1C1CCN(C[C@H](O)C2=COc3ccccc3O2)CC1 28105676 LNKPJEIVCYIHAB-SFHVURJKSA-N 393.443 2.640 0 1 GFAF C[C@H]1CN(c2c(F)c(Cl)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1 29400256 RVJKCSNLPGSSDG-QMMMGPOBSA-N 397.809 2.764 0 1 GFAF CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 73139640 GVWURXDSEAKHSQ-UHFFFAOYSA-N 397.570 2.964 0 1 GFAF COC(=O)[C@H](Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N(C2CCCC2)C1=O 101678026 OCKZAMMZTWPTKQ-HNNXBMFYSA-N 392.839 2.548 0 1 GFAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2noc3ccccc23)c1 114078741 JYXGVWDNVCBLEQ-UHFFFAOYSA-N 376.420 2.597 0 1 GFAF NC(=O)[C@@H]1CCCN1c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1 205265886 QDGNGBLDAHHWPR-IBGZPJMESA-N 385.431 2.536 0 1 GFAF CC(=O)O[C@@H]1CC[C@@]2(C)C[C@]23CC[C@H]2C[C@@](C)([C@H](O)CO)C[C@H](O)[C@]2(C)[C@@H]13 238780515 ZSNIMPKKVQQYAC-GUVLENKQSA-N 380.525 2.655 0 1 GFAF N[C@@H](N=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586921102 XTENCFWLABFILY-IBGZPJMESA-N 384.461 2.792 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(CCO)cc4[nH]3)cc12 587036889 BDRRRSHQSGISGW-LLVKDONJSA-N 383.477 2.845 0 1 GFAF CC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 587134650 SVGAPZIWCDTLNF-UHFFFAOYSA-N 383.351 2.661 0 1 GFAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccc(Br)cc2)C1 587365437 CTLBGGWJTXNPDV-LLVKDONJSA-N 386.205 2.846 0 1 GFAF COc1cccc(CN2CCN3C(C(=O)Nc4ccccc4)=COC3=NC2=O)c1 206056122 OAXAVBLVJOLFMQ-UHFFFAOYSA-N 392.415 2.799 0 3 GFAF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4205703 XSPGLZYRJJSRHE-IEBWSBKVSA-N 388.851 2.557 0 1 GFAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@H](C)C(=O)NCc1ccccc1 8605337 VFGGAVGVFIGOCI-GFCCVEGCSA-N 392.381 2.940 0 1 GFAF CC(=O)Oc1ccc(/C=C/C(=O)Nc2ccc3c(c2)COC3=O)cc1OC(C)=O 73219705 ROZAMEXKPFXRIP-XBXARRHUSA-N 395.367 2.860 0 1 GFAF COC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)SC[C@@H]2CCCN32)C(=O)O1 40764353 VSRPZDNQJKXCLZ-JQWIXIFHSA-N 397.497 2.746 0 1 GFAF NCCNc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc2ccccc12 653819862 RTSLAKFEZNOBMQ-UHFFFAOYSA-N 375.476 2.568 0 1 GFAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ccnc2[nH]1 586938803 RHRMBSVTIHOCCX-CYBMUJFWSA-N 379.873 2.869 0 1 GFAF CCN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C(=O)OC)C1 587581111 GEKRMEWKWCZWNZ-LDJQZATESA-N 397.427 2.607 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(=O)O)c2ccccc21 587489923 WXFQFWQLEWKVCM-NRFANRHFSA-N 381.384 2.637 0 1 GFAF COC(=O)[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804228 DBOSHWMADDOPMV-VVVCHXIZSA-N 384.245 2.860 0 1 GFAF CC(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1Br 587367282 VLKGSNDHYCUIJS-UHFFFAOYSA-N 375.182 2.824 0 1 GFAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](F)[C@@H](F)C4)ncn3)c2c1 1772615065 STSWJKJMSXZKSV-CQDKDKBSSA-N 389.406 2.930 0 1 GFAF O=C([C@@H]1CCN(c2ccccc2)C1=O)N1CCC(OCc2ccccn2)CC1 12308533 FOLPMHHZOIQJKB-FQEVSTJZSA-N 379.460 2.642 0 1 GFAF COc1cccc2cc(C(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(=O)oc12 12617329 ABNDGTSITBHEHV-WWGRRREGSA-N 387.432 2.899 0 1 GFAF CCN(C)C(=O)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 206017723 ZWVASSDEUHFWDD-UHFFFAOYSA-N 396.369 2.649 0 3 GFAF Cc1ccc(C(C)C)cc1OC(=O)CCCC(=O)N[C@@H](CCCCN)C(=O)O 1857558415 ZTLYWSPRCNOHSK-KRWDZBQOSA-N 392.496 2.893 0 1 GFAF CCC(=O)Nc1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 1857576404 BGJWIUBTZNQFLN-UHFFFAOYSA-N 375.288 2.972 0 1 GFAF COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)c(OC)c1 4081149 TVCDOYUDGDPEJK-TZIWHRDSSA-N 397.475 2.950 0 1 GFAF Nc1ccccc1-c1nnc(O)n2c(Br)c(Br)nc12 28006829 OUUONACTKAOIGU-UHFFFAOYSA-N 385.019 2.604 0 1 GFAF Cc1cccc(CN2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)n1 36385849 MWXLUUYSRIAFMQ-HSZRJFAPSA-N 391.519 2.645 0 3 GFAF COc1cc(C(=O)[C@@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 13372364 RKQZQCFXPCRETA-IFXJQAMLSA-N 386.400 2.633 0 1 GFAF biogenic C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@]3(OC)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 197227535 YTKUUOVYXFLJGW-VONRFDLSSA-N 378.465 2.897 0 1 GFAF CC(C)(O)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21 98209515 NJEBVFDXJAFAGB-UHFFFAOYSA-N 390.447 2.936 0 1 GFAF in-vitro N[C@@H](CC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)Cc1cc(F)c(F)cc1F 299839018 RREYZXSUKFOFDM-LNNXVMOYSA-N 384.398 2.608 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](C1CCN(S(=O)(=O)C3CC3)CC1)CC2=O 587487530 OKGQEYPPBDQQLV-LJQANCHMSA-N 393.505 2.883 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C)c(C)c3[nH]2)[C@H](C)O)cc1 586937858 UZRZJJARNVIQGF-SCLBCKFNSA-N 389.477 2.589 0 1 GFAF COC(=O)c1ccc(Oc2ccc3nc(C4[C@H](C(=O)O)[C@H]4C(=O)O)[nH]c3c2)cc1 587970502 IQYWCLJAWCHVTR-HOTGVXAUSA-N 396.355 2.641 0 1 GFAF C=C1NC(=O)C([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)=C(C)N1 587793709 KOYUWOYLIRQNGX-QPFGOUBPSA-N 380.261 2.802 0 1 GFAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@]2(CCC(=O)N3CCc4cccc2c43)N1 963238724 WFDAGUIDLRWYTN-YKSBVNFPSA-N 399.450 2.760 0 1 GFAF CC(C)([C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21)N1C(=O)c2ccccc2C1=O 962894175 HQKYOEXGUZHRGB-DLBZAZTESA-N 382.391 2.541 0 1 GFAF COCCN1CCN(C(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 169686509 FVKMFPPXYRFYOE-FQEVSTJZSA-N 354.495 1.043 0 1 GFAF COc1c(Br)cc(/C=C/C(=O)NCCCN)cc1Br 169346601 SSKXNLDQPPMBQE-ONEGZZNKSA-N 392.091 2.698 0 1 GFAF O=c1[nH]nc(Cc2cccc(NS(=O)(=O)c3ccco3)c2)c2c1CCCC2 167831195 PMSRXBPGXVMQMN-UHFFFAOYSA-N 385.445 2.633 0 1 GFAF CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCCN2CCC(C)CC2)C1=O 2934284 FBAHIJKVKVFTPA-LJQANCHMSA-N 387.524 2.737 0 1 GFAF C[C@H](NC(=O)[C@H]1C(=O)N(CCO)[C@@]2(C)C[C@@H]1c1ccccc1O2)c1ccccc1 7991189 MFKFSVAFSUHGOG-SHLYYBDNSA-N 394.471 2.597 0 1 GFAF CC(C)C(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 28104603 WXJKTTVGVITSOL-WECCILKDSA-N 395.499 2.862 0 1 GFAF CC(=O)N(C)CCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2ccccc21 29125642 BWIAPHWWJDPMFN-UHFFFAOYSA-N 384.867 2.937 0 1 GFAF COc1ccc(COC[C@H](Cn2ccnc2)OCc2ccc(C(N)=O)cc2)cc1 29328686 NEHYSCKOVZXSOM-NRFANRHFSA-N 395.459 2.793 0 1 GFAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccncc3)cc21 95559209 CHTYZVHLUCTJRI-INIZCTEOSA-N 382.416 2.911 0 1 GFAF C#CCN(Cc1ccccc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 140372454 SOABYFANBYJVTR-OAQYLSRUSA-N 382.414 2.580 0 1 GFAF CN(C)[C@H]1CCCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)C1 169357154 IXIZVBISXXXRIK-LEWJYISDSA-N 394.498 2.976 0 1 GFAF CN(C)c1ccc(-c2cc3nccnc3c(NC[C@@H]3CNCCC3(F)F)n2)cn1 203749770 MKAHLUQCHFLGCS-AWEZNQCLSA-N 399.449 2.810 0 1 GFAF Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@](C)(O)C5)n4)n[nH]c3cn2)cn1 205245561 PIKYKNBWDFZDPW-OAQYLSRUSA-N 389.463 2.772 0 1 GFAF O=C(CO)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261151602 PATXYRVWJPYPMG-SAABIXHNSA-N 388.508 2.652 0 1 GFAF COc1ccc(S(=O)(=O)Cc2nc3cncc(Br)c3[nH]2)cc1 586919915 AQQHTJLFILUEDM-UHFFFAOYSA-N 382.239 2.703 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]1CN[C@@H](C(=O)O)[C@H]1C2 587595866 PDTCWXVGAAWUKM-WOSIWNHISA-N 395.411 2.565 0 1 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1CCCNC1 1911574824 LOQXKJSRFQSJNX-JTQLQIEISA-N 379.346 2.539 0 1 GFAF CC(=O)Nc1ccc2c(c1)nc1n2[C@H](CNCc2ccc(C(=O)O)cc2)COC1 2356306279 JNKQIMAFKUPSGX-QGZVFWFLSA-N 394.431 2.554 0 1 GFAF CCC=C[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 2356497730 XNUWGEPKIOWLHQ-IMKXEIRVSA-N 385.460 2.866 0 1 GFAF Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)s2)o1 2602315 BWCYERUVGVLUSU-UHFFFAOYSA-N 392.296 2.892 0 3 GFAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC=CC(=O)O)[C@H](C)[C@@H](O)[C@H]2C 2356327540 COFIVWDWWDQMEE-QLQYIVLASA-N 382.497 2.744 0 1 GFAF COc1ccc(-c2c(C(=O)O)c3cc(OC)c(OC)cc3c(=O)n2C)cc1O 4563455 GOEWUYSPGKPOAX-UHFFFAOYSA-N 385.372 2.635 0 1 GFAF O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1/C=N/N1CCCC[C@H]1c1cccnc1 6615402 KFDRLQJHJPJPPA-TTXZLZEXSA-N 397.479 2.704 0 1 GFAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1C(N)=O 26733095 DVTZNPKVFBYNDA-MRXNPFEDSA-N 381.476 2.617 0 1 GFAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)NCc2ccccc2)CC[C@]1(C)O 2356288571 HEZAHMKVGGNLON-VWPQPMDRSA-N 381.476 2.599 0 1 GFAF COc1cc(S(=O)(=O)Oc2ccc3c(ccn3C)c2)cc(OC)c1OC 27990809 LVPPMYDKCSYLSR-UHFFFAOYSA-N 377.418 2.972 0 1 GFAF NS(=O)(=O)c1nc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2s1 26496380 MTEUZRMFJMJGDP-UHFFFAOYSA-N 382.850 2.745 0 1 GFAF O=C(c1cnccn1)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 61969738 UAEOCHHAUUYWLP-GOSISDBHSA-N 385.899 2.557 0 3 GFAF CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@@H](C)O 2356403522 MJYRTXCQTAXNAH-OCWWBJTRSA-N 394.552 2.899 0 1 GFAF CC(=O)NC[C@@H]1C[C@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 2356874221 YTXZWHMDGDGJQL-GIVPXCGWSA-N 393.535 2.832 0 1 GFAF O=C(N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1)c1ccccc1 15709368 JDBAKQDYVHBVFI-YOEHRIQHSA-N 383.835 2.695 0 1 GFAF biogenic CC(C)CNc1nc(NCCCN(C)C)ncc1C(=O)NCc1ccccc1 45301866 QQYSUVNTVKPKEN-UHFFFAOYSA-N 384.528 2.838 0 1 GFAF O[C@](CNCCCOc1ccccc1)(Cn1cncn1)c1ccc(F)cc1F 84653951 NHLQKSAQPPSOSN-HXUWFJFHSA-N 388.418 2.503 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82133500 WYFCJKNSHOFLLZ-IYBDPMFKSA-N 395.507 2.810 0 1 GFAF CC(C)Cc1ccc(-c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 45390824 AVLJSIGRDQEBAF-LJQANCHMSA-N 390.439 2.953 0 1 GFAF C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 96271365 DUCSIDAKBBEPBA-OAHLLOKOSA-N 388.493 2.966 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3)C[C@@H]21 95893555 STZOAQMOEDRGMZ-XUVXKRRUSA-N 394.475 2.987 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCS(=O)(=O)C1 587864653 RFXGYILXEZYGNP-JTQLQIEISA-N 388.367 2.652 0 1 GFAF COC(=O)CCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587766128 FMQAAIOWZQRIJE-GFCCVEGCSA-N 399.304 2.977 0 1 GFAF O=C(NCc1nc2cccc(I)c2[nH]1)c1cscn1 587028554 RNIQWPKILPZODB-UHFFFAOYSA-N 384.202 2.554 0 1 GFAF O=C(O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1O 962976783 OHHIPRMSEUZWLE-NHYWBVRUSA-N 383.734 2.710 0 1 GFAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)c2ccccc2[C@H]2CN(C)CC[C@H]21 963472277 PQCVMSDACUBLKB-NZQNYPKQSA-N 378.472 2.592 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(C(=O)N(C)C)c12 1772581004 ALSGYZMTOPWTIZ-LLVKDONJSA-N 382.424 2.551 0 1 GFAF COc1ccccc1CNC(=O)[C@@H]1C[C@H]2Cn3c(nc4ccccc43)[C@@H]2N1C 13660622 RLLCPUKXIYNIII-ZAAXVRCTSA-N 376.460 2.736 0 3 GFAF CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1 205255870 KBYQJTFOVSYTAY-OAHLLOKOSA-N 388.479 2.831 0 1 GFAF Cc1ccnc(NC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)c1 6867871 HYXNTHDBCXSIGS-UHFFFAOYSA-N 379.468 2.635 0 1 GFAF Cc1ccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)c(C)c1 20901501 PKNDHXFDMLKZCK-OAHLLOKOSA-N 385.493 2.889 0 1 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H]1CCCC[C@H]1O 29322615 KJZIHOYWZYDQEJ-IAGOWNOFSA-N 383.920 2.676 0 1 GFAF O=S(=O)(N[C@@H]1[C@@H]2CC[C@@]1(O)Cc1ccccc1C2)c1ccc(Cl)s1 40616206 LRKSZTJQEVWHDS-CSMYWGQOSA-N 383.922 2.988 0 1 GFAF COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ccncc1C3=O 84618555 BRKFIXIKEQOAOV-UHFFFAOYSA-N 393.443 2.577 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C\COc2ccc(Cl)c1c2Cl 169313426 TUEFPOMKBBGSEI-BIOMNHJASA-N 396.230 2.564 0 1 GFAF COc1ccc(S(=O)(=O)Cc2nc3cc(Br)cnc3[nH]2)cc1 586920133 FEHXZUXPNXTLAC-UHFFFAOYSA-N 382.239 2.703 0 1 GFAF COc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2n1 586945247 BZNSOYQNOSOMEI-UHFFFAOYSA-N 390.446 2.767 0 1 GFAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2c1 586962038 NUEIWAIPAQLCBK-ZCFIWIBFSA-N 379.829 2.934 0 1 GFAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586972003 CVPVLHYGIBQUQZ-SFHVURJKSA-N 393.476 2.649 0 1 GFAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 587658238 MNSNKJYWUKBLON-LBPRGKRZSA-N 376.384 2.701 0 1 GFAF COC(=O)[C@@H]1C[C@]2(CCN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587757644 AXDVTXOLPJKZSU-PHEKWQANSA-N 385.277 2.585 0 1 GFAF O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@H]1NNC(=O)[C@@H]2CCCC[C@H]12 618014359 XDAKOPZCSWNHOZ-WMFXKJRFSA-N 392.431 2.836 0 1 GFAF Cc1nsc(N)c1[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962630067 JLMAUSCEMBNLQE-BJOHPYRUSA-N 387.383 2.795 0 1 GFAF CCNCCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(=N)[nH]3)c2)cn1 1857548089 WIFUSUFSILJYTH-UHFFFAOYSA-N 388.859 2.856 0 1 GFAF CCN(CC)CCNC(=O)c1c(C=O)[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C 1857747050 BEAYHKNCCSJVMA-VBKFSLOCSA-N 394.475 2.700 0 1 GFAF COc1cc(C[C@@H]2COC(=O)C2=Cc2cc(OC)c(O)c(OC)c2)ccc1O 2356712686 KTBONQWAVWHBCB-CQSZACIVSA-N 386.400 2.923 0 1 GFAF CCN1C(SCC(=O)NCc2ccco2)=NN/C1=C1\C=Nc2ccccc21 104013176 VTBJPSDZMAHSPN-SDXDJHTJSA-N 381.461 2.910 0 3 GFAF CC[C@@H]1Sc2ccccc2N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 2953503 DHFJBQHJPFIMJK-KRWDZBQOSA-N 384.457 2.949 0 3 GFAF COc1cc2cc(N(C)CCCNC(=O)[C@@H]3CCCO3)cc(N)c2cc1OC 8672949 JOMJHJFVTAYZAM-SFHVURJKSA-N 387.480 2.561 0 1 GFAF in-vitro O=C(CCNC(=O)c1ccccc1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 28391804 QVODQTBNWDTWIK-IBGZPJMESA-N 385.895 2.851 0 1 GFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCc3ccccc3F)C[C@@H](O)[C@H]2CO)n1 2356758976 WZGGVPPZVPMQCH-RAUXBKROSA-N 387.499 2.603 0 1 GFAF COCCN[C]1C=C(c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)C=CN1 2356849447 BAHGMMKIUHHKPS-SFHVURJKSA-N 398.462 2.772 0 1 GFAF CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 95796643 AWLFNFDCGKZKJX-JKSUJKDBSA-N 385.430 2.573 0 1 GFAF O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 95893523 UUOOIEDXIALFME-AABGKKOBSA-N 395.434 2.943 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587762586 TXXYFJFMTKIPMS-CDNVCLAFSA-N 399.304 2.833 0 1 GFAF CN(C)C(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587127167 MXOLRCXQNLVSOA-UHFFFAOYSA-N 398.366 2.620 0 1 GFAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(C)c(S(N)(=O)=O)c1)NCC3 963068780 QOQPIRKBECNOCO-NRFANRHFSA-N 397.500 2.608 0 1 GFAF C[C@@H]1CCCC(=O)[C@@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963145181 NGFHGXDPAXWNGZ-GDAOTKPNSA-N 380.466 2.974 0 1 GFAF Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)CCCN2CCCCC2=O)C1 12477870 GRBZNUCYOHVEHX-QHCPKHFHSA-N 386.536 2.931 0 3 GFAF Cc1ccn(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n1 169699895 GVIODUOQCQTCRN-UHFFFAOYSA-N 390.447 2.556 0 1 GFAF CC(C)[C@@H]1NC(=O)[C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC1=O 206393786 XVIAFRZJHNVPJO-RDJZCZTQSA-N 385.464 2.606 0 3 GFAF COc1ccc(OC)c2c1C[C@@H]1c3cc4c(cc3C[C@H](C(=O)O)N1C2)OCO4 1857577810 UALULNJJLWOBMB-HZPDHXFCSA-N 383.400 2.541 0 1 GFAF COc1ccc(N2C(=O)NC(=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1F 1857641261 PAPQXPJLXUPEKQ-MRXNPFEDSA-N 390.367 2.658 0 1 GFAF Cc1noc(Cn2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)n1 15722132 RISYOCOXKWXILD-UHFFFAOYSA-N 382.807 2.605 0 1 GFAF CS(=O)(=O)c1ccc(/C(=C\C2CCOCC2)C(=O)Nc2nccs2)cc1 38724961 HPFMVRXIWVGCSW-FOWTUZBSSA-N 392.502 2.995 0 1 GFAF C[C@H](O)[C@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113653011 FKNJKNHEBUMLTR-STQMWFEESA-N 385.855 2.842 0 1 GFAF COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1CC1CC1 148074357 GBQXRFSGHUPDTD-QWHZDKJVSA-N 387.915 2.882 0 1 GFAF CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)CCCC(=O)O)c3ccccc23)S1 169319795 WSCZWFKCUPORQB-PIGZYNQJSA-N 387.461 2.857 0 1 GFAF CCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195391235 GILYTJDQDXXBEX-CVURWPNZSA-N 381.472 2.616 0 1 GFAF CCOC(=O)COc1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1 261187291 XWGUFOIYAYBBFJ-QCKZDCLWSA-N 396.447 2.549 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 587058587 HIGWIBGSDNKIDE-CQSZACIVSA-N 378.885 2.709 0 1 GFAF CCn1cc([C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587764429 PTCLNMDHXRQIMM-ABKXIKBNSA-N 382.233 2.667 0 1 GFAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCC(=O)N3CCc4cccc2c43)N1 963238722 WFDAGUIDLRWYTN-RDPSFJRHSA-N 399.450 2.760 0 1 GFAF CNC(=O)[C@H](c1ccccc1F)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1 2356290359 QQQRCTBZYBDVQW-PMACEKPBSA-N 383.467 2.736 0 1 GFAF C[C@]1(C(=O)NCCC(F)(F)F)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61905429 OHDNSDQVKJCJBD-GOSISDBHSA-N 393.365 2.610 0 3 GFAF O=C(O)C[C@H]1CCN(C(=O)NC2CCCCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356347460 RKFPDYPKQWBDRM-HUUCEWRRSA-N 399.495 2.956 0 1 GFAF Cc1csc2nc([C@H](C)NC(=O)/C=C/C(=O)Nc3ccccc3)oc(=O)c12 6523557 GJLOXKABHIEUJR-BCPZQOPPSA-N 383.429 2.930 0 1 GFAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccccc2)O1 28974187 HGRLIODMXYZECK-PWFNWSNSSA-N 389.352 2.754 0 1 GFAF NC1=N[C@@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)COC1 113656651 NPOMRTKJJJPJGY-QGZVFWFLSA-N 380.782 2.679 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)C2=C1C[C@@H]1C(=CO[C@@H]3C=C(C)C(=O)O3)C(=O)O[C@@H]21 2356706286 AOHYMVJOAOUQHB-GMLZMKKNSA-N 388.416 2.710 0 1 GFAF O=C(NCCCCN1CCN(c2ccccn2)CC1)c1cc2ccccc2cn1 35907363 BMLRTLPESFVXBM-UHFFFAOYSA-N 389.503 2.962 0 1 GFAF CN(Cc1nc2c(CN3CCNCC3)cccc2[nH]1)[C@H]1CCCc2cccnc21 34660799 HOTFDACOUFWRFX-FQEVSTJZSA-N 390.535 2.873 0 1 GFAF CO[C@@H](c1ccccc1)[C@@H](O)CN1CCN(C[C@H](OC)c2ccccc2)CC1 30691535 VSTNNAYSCJQCQI-VABKMULXSA-N 384.520 2.740 0 1 GFAF in-man CC(=O)O[C@H]1C[C@H]2[C@@H](C[C@]3(O)OC(=O)C=C3[C@]2(C)O)[C@]2(C)CCCC(C)(C)[C@@H]12 238763938 WIHSWORKGXEYFX-BUELNAEASA-N 392.492 2.713 0 1 GFAF COC(=O)c1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587162970 DWVLTGJSXKUNRK-UHFFFAOYSA-N 380.379 2.767 0 1 GFAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(O)nc(S)nc2[nH]1 587041866 GDAJWDRFBDZOFO-MRVPVSSYSA-N 379.854 2.656 0 1 GFAF O=C(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCc1ccccc1 587782650 WIMRCYMVJXONDI-UHFFFAOYSA-N 389.415 2.908 0 1 GFAF C[C@H](NS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C(=O)O 587216487 CEKXXFZMTBKRPW-LBPRGKRZSA-N 382.441 2.752 0 1 GFAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1[nH]cnc1C(=O)O)[C@@H](C2)C3=O 587437515 GGIQGHQOZKBUBW-QKKBWIMNSA-N 376.368 2.808 0 1 GFAF O=C1c2ccc(O)cc2O[C@@]2(CN=CNc3[nH]cnc32)[C@@H]1c1ccc(F)cc1 587346310 LVSZIJPTZFSPTR-UZLBHIALSA-N 378.363 2.963 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 888075828 SHIBSTMRCDJXLN-RMLBRMQSSA-N 390.520 2.575 0 1 GFAF Cc1nonc1CN(C)C(=O)c1cc(-c2cnn(C)c2)nc2ccc(F)cc12 19770482 KZXRCUUUGAMWHG-UHFFFAOYSA-N 380.383 2.738 0 1 GFAF COc1ccc2c(c1O)CCCC(=O)[C@@]2(O)c1cc(OC)c(OC)c(OC)c1 1857613189 YDETZACEJXREDG-OAQYLSRUSA-N 388.416 2.568 0 1 GFAF Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCCN3CCCC3)o2)cc1 2966670 PHHYUSDBGSMCPZ-UHFFFAOYSA-N 390.505 2.529 0 1 GFAF CCOC(=O)N1CCC(NC(=O)c2noc3c2COc2ccc(C)cc2-3)CC1 9439925 XUZUCBLNOCILBN-UHFFFAOYSA-N 385.420 2.893 0 1 GFAF CCc1cc(O)cc(O)c1C(=O)c1c(O)cccc1Cc1cc(O)cc(=O)o1 13334578 JDFAAVDOFRZZDM-UHFFFAOYSA-N 382.368 2.846 0 1 GFAF biogenic COC(=O)c1c2c(c3c4cc(OC)c(OC)cc4n4c3c1CCC4=O)CCNC2 13558724 WYGQAWOOBVONHO-UHFFFAOYSA-N 394.427 2.830 0 1 GFAF O=c1[nH]c2ccc(N3CCC[C@@H](CO)C3)nc2nc1CSCc1ccccc1 18178241 FKTQOSLNIYPQOD-MRXNPFEDSA-N 396.516 2.960 0 1 GFAF Cc1cccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)c1C 20901493 DBXFPNNIGVHQBW-OAHLLOKOSA-N 385.493 2.889 0 1 GFAF COc1ccc(C(=O)Nc2ccc(OCc3cc(O)n4ncnc4n3)cc2)cc1 21093414 VOIBQWIYJMPSHV-UHFFFAOYSA-N 391.387 2.670 0 1 GFAF COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](N(C)C)c1cc(=O)c(OC)ccc12 27714650 PJBSGYGSQRXHOS-LDQXTDLNSA-N 387.476 2.779 0 1 GFAF CN(C(=O)CCC(=O)Nc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 28704915 ZSGJCOIDJPQFND-LEWJYISDSA-N 395.503 2.672 0 1 GFAF CCOC(=O)c1cn(CC)c2c(ccc3c2nnn3Cc2ccccc2)c1=O 66099885 JFJOELPIKILBHO-UHFFFAOYSA-N 376.416 2.991 0 1 GFAF CCc1cc(OC)c(OC)cc1-c1cc(NN)n(Cc2ccccc2)c(=O)n1 84602747 LEYUXVKQICYIFN-UHFFFAOYSA-N 380.448 2.824 0 1 GFAF Cc1cccnc1N1C[C@@H](C(=O)NCc2ccc(F)c(F)c2Cl)N(C)C1=O 95565173 MZIOOCCKRBJXCQ-ZDUSSCGKSA-N 394.809 2.878 0 1 GFAF CN1[C@H]2CC[C@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C(C)(C)C)C2 101753392 GNGUWCPRUDOETC-STQMWFEESA-N 387.455 2.877 0 1 GFAF O=C(Nc1cccnn1)N1CCN(c2nccc(-c3cc(F)cc(F)c3)n2)CC1 103267368 RZQZVKOTLXGHBX-UHFFFAOYSA-N 397.389 2.566 0 1 GFAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCNC[C@@H]1COc1cccnc1 114581000 CJUCETZNRGTSKC-OAHLLOKOSA-N 380.370 2.985 0 1 GFAF O=C(OC[C@]12C=C[C@H]3[C@H](C(=O)O[C@H]3[C@@H]1O)[C@H]2c1ccccc1)c1ccccc1 147184748 CHBCOIMIIGHEFX-XUXCPFPKSA-N 376.408 2.716 0 1 GFAF CCc1c(C(=O)n2ccc3ccc(S(=O)(=O)NC)cc32)[nH]c(C)c1C(C)=O 263620435 FRIHRFHOIOFYKK-UHFFFAOYSA-N 387.461 2.639 0 1 GFAF in-vitro Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3F)c(=O)c2c1 299833090 HKERGYQNOLXOMA-UHFFFAOYSA-N 392.390 2.812 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 299882205 PIFWXBWASJVRLX-CTAFRAEOSA-N 397.475 2.857 0 1 GFAF CC(=O)N[C@H](Cc1nc2ccnc(O)c2[nH]1)c1ccc(Br)cc1 586985123 KJNCSPJEESDCKA-CYBMUJFWSA-N 375.226 2.846 0 1 GFAF NS(=O)(=O)c1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586997467 XIPROPFSROESBW-UHFFFAOYSA-N 395.282 2.627 0 1 GFAF COc1cccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 587129055 REGDJHRVAXRHND-UHFFFAOYSA-N 391.353 2.995 0 1 GFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587193495 BQHDJKAFPKJQFB-UKRRQHHQSA-N 376.461 2.804 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)O2 587394495 WJFAAILTVVAZGM-XOBRGWDASA-N 390.436 2.765 0 1 GFAF CCN1N=C(C(=O)O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587436195 NNWSGEHWSNSTKB-SPLOXXLWSA-N 378.384 2.619 0 1 GFAF COc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587807140 JWPFMOLAEXWLOJ-XTZNXHDOSA-N 396.256 2.685 0 1 GFAF C[C@]1(c2cc(O)ccc2N)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962659526 FQTXWYUTBCANIA-YADHBBJMSA-N 377.444 2.885 0 1 GFAF O=C(O)CCc1c(C(=O)O)[nH]c2cc(I)cc(F)c12 1857647260 DDCPVTXQTABQGM-UHFFFAOYSA-N 377.109 2.627 0 1 GFAF CN=c1[nH]cc(C(=O)NC(C)(C)Cc2ccccc2)c2nc(-c3ccco3)nn12 1857654813 TXBGQFGPPFSMAO-UHFFFAOYSA-N 390.447 2.599 0 1 GFAF CCN(CC)C(=O)[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2)CN(C)C(=O)C1 2356456842 SGCGNFSILXEPMX-FUHWJXTLSA-N 388.512 2.694 0 1 GFAF COc1cccc2nc(C[C@@H]3CN(C4CCOCC4)CC[C@H]3CC(=O)O)[nH]c12 2356577713 NDMZDRRQMKQJPG-LSDHHAIUSA-N 387.480 2.706 0 1 GFAF COc1cc(C=CC(=O)N[C@H](OC)C(=O)c2c[nH]c3ccc(O)cc23)ccc1O 2356579327 YGUUQJJEKRPTAT-OAQYLSRUSA-N 396.399 2.573 0 1 GFAF COc1cc2c(cc1OC)[C@@H](C(=O)NC1CC1)[C@H]1c3ccccc3CCN1C2=O 2456065 NWFOQGJCXNNULB-NHCUHLMSSA-N 392.455 2.819 0 3 GFAF O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1cccc(Cl)c1 4569545 LFANJSVZCQMCSA-AWEZNQCLSA-N 384.910 2.985 0 3 GFAF CC(C)[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC[C@H]1CCCO1 4902149 CCZMFGXGYJBMLG-LDYMZIIASA-N 381.281 2.927 0 3 GFAF COC(=O)c1ccc2nc(CO[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3F)[nH]c2c1 2356301368 ABZZZSVUBIZODR-YJBOKZPZSA-N 397.406 2.729 0 1 GFAF O=C(O)COc1ccc(C2=NS(=O)(=O)c3ccccc32)c(Cl)c1Cl 28760369 CRKQABGEVJPCCG-UHFFFAOYSA-N 386.212 2.997 0 1 GFAF NC(=O)c1cc(C[C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114592006 HFIOGKRKJRAZJQ-INIZCTEOSA-N 382.391 2.675 0 1 GFAF COc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)cn(CC=C(C)C)c2c1 29061950 GVKRMAQRDIRXLP-OALUTQOASA-N 381.476 2.648 0 1 GFAF O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2=CCCC2)nn1 2356851971 QLROOMIQQJMZOG-JYJNAYRXSA-N 384.509 2.651 0 1 GFAF CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@@H]1c1ccccc1 61958902 TUOFSBKJEGIFLA-GOSISDBHSA-N 390.436 2.664 0 3 GFAF O=C(NCCCN=c1nc(-n2ccc3cccnc32)cc[nH]1)c1ccc(F)cc1 1911574738 VQGQJHLGCKBWKL-UHFFFAOYSA-N 390.422 2.609 0 1 GFAF CNC(=O)N1CCC[C@H]([C@@H](C)Nc2nccc(-n3cnc4ccccc43)n2)C1 45320844 GUANBVMXZMYPLN-CABCVRRESA-N 379.468 2.667 0 1 GFAF CCN(C)C(=O)c1cnc(N(C)CC)nc1-c1cc(OC)c(OC)c(OC)c1 82144983 SMFNNIIEYZEUJD-UHFFFAOYSA-N 388.468 2.717 0 1 GFAF CCN(CC)CCNC(=O)c1cc2c(I)cccc2cn1 40977566 MPBOJNNJLBWVSO-UHFFFAOYSA-N 397.260 2.911 0 1 GFAF NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2sccc12 223191477 LDDILJTXBXUXJK-WCQYABFASA-N 383.481 2.611 0 1 GFAF N#Cc1cc(-c2ccnc(Nc3cccc(C(N)=O)c3)n2)cnc1N1CCCC1 221244201 BAKQBFWWFDSVKD-UHFFFAOYSA-N 385.431 2.853 0 1 GFAF CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(OC)cc1 95893861 SHFUOGPGKDYKCR-VSKRKVRLSA-N 395.503 2.964 0 1 GFAF O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 95900801 VBPXJTQPFOPDPZ-HUOQQOJOSA-N 398.415 2.800 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CN[C@H](C(=O)O)[C@H]32)N1 587794406 MOLXFCBHTUDALH-JDRHODFGSA-N 397.288 2.790 0 1 GFAF COC(=O)Cc1cc(OC)n(NCc2ccccc2Br)c1OC 587940459 KWDMYRNZLZRHTI-UHFFFAOYSA-N 383.242 2.727 0 1 GFAF Cc1nn(Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(C)c1Br 586978803 IIMJHMWCFAKRPM-UHFFFAOYSA-N 383.271 2.591 0 1 GFAF CN(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928842 LGFFYYZWVKVRLD-MRXNPFEDSA-N 393.856 2.761 0 1 GFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1ccc(OCC(=O)N(C)C)cc1 963609785 OJXUGSZOWLRHHW-IQMFZBJNSA-N 398.503 2.969 0 1 GFAF Cc1cc(C)c2c(c1)[C@]1(N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)[C@H](N)CC2 963237232 XAPYNAFTADCSDA-CQOQZXRMSA-N 387.483 2.968 0 1 GFAF Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](OCc1ccccc1F)CC(=O)N2 1772640641 QCHJCCBKJYHHQC-CYBMUJFWSA-N 393.382 2.586 0 1 GFAF COC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19210527 WMTBKKBQNKWDRP-SUWCGCSTSA-N 396.418 2.516 0 1 GFAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1CCC(=O)OC 1857643783 MGPWVTKUJICMEY-UHFFFAOYSA-N 384.436 2.689 0 1 GFAF CC[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2CCCC[C@H]2CC)C1=O 7991511 GPNVWHXBSLWUIM-MJGOQNOKSA-N 387.524 2.961 0 3 GFAF CCNC[C@](O)(CCCCCCCCC[C@@H]1CC[C@H](O)[C@@H](C)N1)CC(=O)O 2356291825 BBHSCULAZJXZJF-BNDYYXHWSA-N 386.577 2.814 0 1 GFAF CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(OC)cc2)=N1 100983861 CTPOLKCZOFPIBR-WBVHZDCISA-N 390.395 2.652 0 1 GFAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)Nc2cccc3ccccc23)C1 27989177 NTSXERLNWNEXJZ-BXWFABGCSA-N 398.532 2.990 0 1 GFAF COc1cccc2[nH]c3c(c12)CCN1C[C@@H]2CC[C@H](O)[C@H](OC(C)=O)[C@H]2C[C@@H]31 2356550890 MTJHSYDEEYNWIV-CAYNGREUSA-N 384.476 2.798 0 1 GFAF C[C@@H](c1ccccc1)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 27625235 PUNXMKKGIPMHLR-AWEZNQCLSA-N 395.434 2.858 0 1 GFAF CC[C@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(C(=O)O)(C3)C2)N1CCCC(F)(F)C1 36286346 BZGXRUGRHXHQKS-RUIIAFCPSA-N 384.467 2.892 0 1 GFAF Cn1ccnc1C[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1 199427452 QAUPQNUXEYNMDC-KRWDZBQOSA-N 392.507 2.659 0 1 GFAF CCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195068943 BPECEJDPRFPPQD-BSJHOTPDSA-N 395.499 2.919 0 1 GFAF Cn1cc(-c2cc(CC(N)=O)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144916147 FRXAARMCPIPDFK-IBGZPJMESA-N 387.361 2.894 0 1 GFAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cncnc1 261179992 VVYCZQDKQRIAIT-KRWDZBQOSA-N 392.415 2.801 0 1 GFAF Cc1cc(F)c(C)c(NC(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 473131867 PSQTVFAIFCMAIA-UHFFFAOYSA-N 396.469 2.608 0 1 GFAF N=c1[nH]c2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc-2c(Cl)[nH]1 587043736 UNPLIHQVFMANGP-QMMMGPOBSA-N 381.248 2.679 0 1 GFAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587260277 PRFFPVZMLCAMLK-JTQLQIEISA-N 399.323 2.953 0 1 GFAF Cc1cc(Br)c2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2c1 587205147 YHCBHEIPIBHCDK-LBPRGKRZSA-N 381.274 2.713 0 1 GFAF Cc1ccnn1C[C@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963138342 GLRGCBPEVVWLCC-SCLBCKFNSA-N 392.481 2.810 0 1 GFAF C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)C[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 13386262 RRLBJDXMEHIJNG-LEAIJPJVSA-N 392.835 2.605 0 1 GFAF biogenic C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 14782103 BMPRGPGLZWJNOP-MIIUKOFQSA-N 378.465 2.897 0 1 GFAF endogenous,in-man COc1ccccc1-c1ccc2c(c1)COCC(=O)N2CCN1CCOCC1 205221249 BCCDELCCLRCBQV-UHFFFAOYSA-N 382.460 2.558 0 3 GFAF CCS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1 1857655039 GHQSOUMGSOQCHP-UHFFFAOYSA-N 398.510 2.637 0 1 GFAF CC1=CC[C@H](O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2C(C)=C(C)[C@H](O)[C@H]3C1 2356327562 DEPCTRKSAXUTDK-UMPHKKGQSA-N 375.509 2.521 0 1 GFAF COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)c(OC)c1OC 4053649 KSGQSSYEKYYVFX-WMZOPIPTSA-N 384.432 2.892 0 1 GFAF C[C@]1(O)CCN(Cc2ccncc2F)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356289519 WSLRIAZONWXYQC-VWPQPMDRSA-N 383.467 2.814 0 1 GFAF COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C 113239321 ZVLPCWDGIPHSSN-UHFFFAOYSA-N 381.440 2.507 0 1 GFAF CN1[C@@H]2CC[C@@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C(C)(C)C)C2 101753401 GNGUWCPRUDOETC-CHWSQXEVSA-N 387.455 2.877 0 1 GFAF COc1ccc2nc(C[C@H]3CN(C(=O)NC(C)C)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305725 AYDUXYKTANCQHF-KGLIPLIRSA-N 388.468 2.645 0 1 GFAF CS(=O)(=O)c1ccc(C2=NN(C(N)=S)[C@H](c3ccc(F)cc3)C2)cc1 66260220 HKZUQQZYMINJRP-INIZCTEOSA-N 377.466 2.624 0 1 GFAF O=C1Nc2cc(Cl)ccc2C(=O)N2CCN(C(=O)Nc3ccccc3)C[C@@H]12 12604990 OVDHETWSDKYPOJ-INIZCTEOSA-N 384.823 2.651 0 1 GFAF biogenic CC(=O)OCC1=C2[C@H]3O[C@]34CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]4[C@H]3O[C@@]23OC1=O 35996898 GYXLGRPTVRBMFK-OVURXTQHSA-N 388.460 2.892 0 1 GFAF Cc1ccc(CC[C@@H]2CCN[C@H](C(=O)N[C@H](CO)[C@H](O)c3ccccc3)C2)cc1 1911583953 OSSUFWIDVXWMQK-CWKRKGSWSA-N 396.531 2.507 0 1 GFAF Cc1cnc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cn1 45291698 GXVMSDLIIROULV-FZKQIMNGSA-N 393.495 2.569 0 1 GFAF Cc1ccc(-c2nc(C(=O)N(C)CC(=O)NCc3ccccc3N)co2)cc1 82073711 LBRLSHVJRDBRJC-UHFFFAOYSA-N 378.432 2.621 0 1 GFAF COc1ccc(CNc2nc(N3CCN(c4ncccn4)CC3)ncc2C)cc1 82203847 JMQLQHPMNIREQJ-UHFFFAOYSA-N 391.479 2.522 0 1 GFAF NS(=O)(=O)c1cccc(F)c1NS(=O)(=O)/C=C/c1cccc(Cl)c1 143471282 PRXPZTYRWJJIBS-BQYQJAHWSA-N 390.845 2.539 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(=O)CC)N(C(=O)NCCC)[C@H]2CO)cc1 95895085 ZWWIZDOUHZQQDN-IIYZUMNCSA-N 387.524 2.836 0 1 GFAF CC(C)N1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCCS1(=O)=O 95565736 ZLZRNUPAQCLWIY-AWEZNQCLSA-N 379.309 2.812 0 1 GFAF COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3NC(=S)N=C(N)[C@H]32)cc1 253917765 LZQNFYIYZIDOBD-JXXFODFXSA-N 390.468 2.955 0 1 GFAF CCS(=O)(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ccc(Cl)cc3Cl)[C@H]2C1 261124393 JZUYHIAQGMBZNI-XEGUGMAKSA-N 391.320 2.783 0 1 GFAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 299874142 AWTIKGXAYFOOSE-XZIHXXGASA-N 388.508 2.589 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CCC)(CC(=O)N[C@H]1CCOC1=O)CC2=O 587469529 IZJYSPLJPNQELV-YCRPNKLZSA-N 389.448 2.671 0 1 GFAF O=c1c2cc(Cl)ccc2cnn1-c1nc(Br)cn2ccnc12 587651476 USZSHIGTDSZCHN-UHFFFAOYSA-N 376.601 2.844 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583840 VIBMAVZEVBEBHO-REDKUUPNSA-N 397.427 2.607 0 1 GFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(CCO)cc2[nH]1 587260470 YRAAPYIQFPJZIE-KRWDZBQOSA-N 382.464 2.804 0 1 GFAF N=c1[nH]ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587169872 DELAXAYAKKSRDS-UHFFFAOYSA-N 383.408 2.977 0 1 GFAF CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)OCCCO3 587570775 YKMKJDLJSFQRBB-UHFFFAOYSA-N 392.452 2.643 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1cnn([C@H]3CCS(=O)(=O)C3)c1)CC2=O 587489511 CQULMIRQTFEXLL-UGSOOPFHSA-N 390.461 2.607 0 1 GFAF O=C(O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O 587946900 YTZKYYFIRYSQKZ-UHFFFAOYSA-N 381.747 2.541 0 1 GFAF COC(=O)[C@@H]1CC(OC)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600121 LKEBGXHYJHVOPN-OXTHUFEASA-N 382.368 2.816 0 1 GFAF COc1ccc2c(c1OC)[C@@H](c1cc(C)n(-n3cnnc3)c1C)N(C)[C@H](C)C2 962638658 XENKPIAHMVVZCE-ZUOKHONESA-N 381.480 2.991 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@@H]1CCN1Cc1ccccc1)C2 1772578027 VTANVYCMTPJTLR-PKOBYXMFSA-N 395.455 2.877 0 1 GFAF O=C1N[C@@H]2[C@H](CCCCCc3cn(Cc4ccccc4F)nn3)SC[C@@H]2N1 1772611267 NXLVIRVEAQNEGX-BZSNNMDCSA-N 389.500 2.734 0 1 GFAF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)/C=C/c1ccccc1 13446666 OREDEVGIJKLWAO-VIOKTNGOSA-N 387.439 2.983 0 1 GFAF CCn1cc(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)cn1 205251560 FTLPJRYZRTWCHZ-UHFFFAOYSA-N 375.436 2.740 0 1 GFAF Nc1cc(C(=O)N2CCCCC2)cc2nc(-c3ccc(Br)o3)nn12 26988178 VWUDJZSWHLDCHS-UHFFFAOYSA-N 390.241 2.960 0 1 GFAF CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c3ccccc3nc-2c1O 102807837 HYXPURJMQNMNEA-LBPRGKRZSA-N 386.477 2.649 0 1 GFAF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1 110754567 NUVQKNOUYVWKKD-RTBURBONSA-N 382.435 2.647 0 1 GFAF O=C1[C@H]2Cc3ccccc3N2C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 66073755 HCCUXWCDNCLIBL-GOSISDBHSA-N 378.409 2.922 0 1 GFAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@H](C)[C@@]23C[C@H](COC)C(C(=O)O)=C3C1 2356862236 UXZZATXVUFODKU-DCIDFSSSSA-N 375.513 2.706 0 1 GFAF Cc1cc2nnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2cc1C 49807980 AKRKUUNWYVEKJB-IBGZPJMESA-N 384.390 2.506 0 1 GFAF Cc1nc(C(=O)Nc2ccc(F)c([C@@]3(C(F)F)N=C(N)O[C@@H]4C[C@@H]43)c2)co1 226086554 UENZQKOWSUZQRC-MNRXQERYSA-N 380.326 2.568 0 1 GFAF NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(-c4ccncc4)cc23)cc1 45302999 XRORRPSLRSHWEK-UHFFFAOYSA-N 393.472 2.529 0 1 GFAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 95894056 BZFBZZPYDSRKLN-SLFFLAALSA-N 397.450 2.733 0 1 GFAF COc1ccc(/C=C/C(=O)O[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)O)cc1 95586143 CUXQJUQFCJMQDV-SSVWKNEZSA-N 386.400 2.965 0 1 GFAF Cc1nn(C)c(C)c1Nc1nc2c(-c3ccc(S(C)(=O)=O)cc3)cccn2n1 148208417 HTEFYFNFQMNJEL-UHFFFAOYSA-N 396.476 2.894 0 1 GFAF CC(=O)[C@@H]1C(=O)OC(C)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587830802 FTEHBYWLCOMPPP-STODORILSA-N 382.229 2.984 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(CO)cc4[nH]3)CC2)cc1 586955164 LXCXXUAFRFNROR-UHFFFAOYSA-N 385.489 2.932 0 1 GFAF COc1cc(OC)c2[nH]c(-c3nccnc3I)nc2c1 587186910 ZEKPBYJNWNFLOU-UHFFFAOYSA-N 382.161 2.642 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(C)(C)n1cncn1 587869292 FXBBBVWUSCHVCS-UHFFFAOYSA-N 380.330 2.640 0 1 GFAF O=C(O)c1cc(F)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587008773 OBESIVVMALPEOW-UHFFFAOYSA-N 376.145 2.872 0 1 GFAF Cc1ccc([C@@]2(CN)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1 962625360 CIKQGXCZUVDGMY-KBXCAEBGSA-N 380.366 2.695 0 1 GFAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(OC[C@H]2CCCO2)n1)C(=O)OC 150186717 HYMPXNQTRBUGCF-OAHLLOKOSA-N 390.480 2.978 0 1 GFAF CN(CCCc1ccccc1)CCn1c(O)c2n(c1=O)Cc1ccccc1C2 169718931 KIAUOUHAQJBBEC-UHFFFAOYSA-N 377.488 2.873 0 1 GFAF CCN(CC)C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 1533204 OOYXYRNOEJELJU-IBGZPJMESA-N 389.521 2.871 0 1 GFAF COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)c(C=O)c2O)c(C)c1O 3197634 WXIWFYPSEZFDBC-UHFFFAOYSA-N 388.372 2.850 0 1 GFAF biogenic COc1ccc(CN(C)Cc2cccnc2)c(OC[C@H](O)CN2CCCC2)c1 12449296 JUEZUMNNLZMQLO-HXUWFJFHSA-N 385.508 2.558 0 1 GFAF CCCC(=O)c1c(O)c2c(c3c([C@H](O)CC)cc(=O)oc13)O[C@H](C(C)(C)O)C2 13429611 KJESFZJNOLYRHM-OCCSQVGLSA-N 390.432 2.999 0 1 GFAF biogenic O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)NCc1ccccc1 13446604 KJJFMBTWERBWCG-HXUWFJFHSA-N 390.443 2.653 0 1 GFAF O=C(O)CCNC(=O)[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)O 13737344 JUUGRNXBMBREMY-OALUTQOASA-N 383.444 2.770 0 1 GFAF CN1c2ccccc2C(=O)[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S1(=O)=O 18159270 SUMBGHOHNVWWMY-HNNXBMFYSA-N 399.255 2.963 0 1 GFAF CC(C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc(-c2ccccc2C(=O)O)cc1 26470755 BEICWVYGFWKKSQ-KRWDZBQOSA-N 398.415 2.606 0 1 GFAF O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 82204723 IAQSDMQOTWWNKB-UHFFFAOYSA-N 381.263 2.613 0 1 GFAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2ncnc12 95597012 RGXIGVIQTHRPTP-UHFFFAOYSA-N 383.496 2.780 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CN(C)C(C)=O 95894971 CXKRCVITKQIBGN-BHDDXSALSA-N 399.535 2.981 0 1 GFAF CC(C)C(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344608 WXJKTTVGVITSOL-XTFGJOLRSA-N 395.499 2.862 0 1 GFAF Cn1cc(-c2cc3c(-c4cccc(NCCc5cnc[nH]5)n4)n[nH]c3cn2)cn1 205260129 ZNSBECBBPBNTAF-UHFFFAOYSA-N 385.435 2.798 0 1 GFAF COC[C@@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCO[C@H](C)C4)ncn3)c2c1 220971498 YSASNVPRGNMXOL-ZIAGYGMSSA-N 383.452 2.659 0 1 GFAF NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1csc2ccccc12 223189967 KLZNVMDVASBUQX-NWDGAFQWSA-N 383.481 2.611 0 1 GFAF O=C(O)c1cc(Br)cc2nc(CSc3nc(O)cc(O)n3)[nH]c12 586966267 DASXCXWTYIFUPB-UHFFFAOYSA-N 397.210 2.517 0 1 GFAF O=C(O)CCN(CCc1nc2cnc(C(F)(F)F)[nH]c-2n1)Cc1ccccc1 587193973 VLJBNBQQOOQJGG-UHFFFAOYSA-N 393.369 2.843 0 1 GFAF Nc1cccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1C(=O)O 587248912 YTVYWXHGZRTTPX-UHFFFAOYSA-N 385.323 2.804 0 1 GFAF Cc1cc([C@@H]2NCCc3c2c(C(C)C)nn3C)c(C)n1CCN1CCOCC1 962921442 TYUBPGNHWDRAAO-QFIPXVFZSA-N 385.556 2.529 0 1 GFAF CNC(=O)OCc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OC)c12 1772593512 PGPULAFOVUPART-LLVKDONJSA-N 398.423 2.705 0 1 GFAF Cc1cc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)on1 1772611567 GBCMWKCOVLVKAA-PUTJDCORSA-N 393.494 2.583 0 1 GFAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cc(F)cnc2F)cn2ncnc12 1772625098 TXVGIMGNEWHENN-UHFFFAOYSA-N 386.293 2.981 0 1 GFAF CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(CCC(C)C)[C@@H]2C(=O)N(C)[C@H]3C1)OCO5 1857750354 FREHAHMPISDGJP-QSABTFIQSA-N 398.503 2.699 0 1 GFAF COc1ccc(Cl)cc1OC1CN(S(=O)(=O)c2ccc3c[nH]nc3c2)C1 1857766661 XEMFXFVWPTWGBK-UHFFFAOYSA-N 393.852 2.677 0 1 GFAF CN1CCN(C2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)CC1 1857773027 MOQQZFPQHVEHKY-UHFFFAOYSA-N 393.531 2.971 0 1 GFAF COc1ccccc1C(=O)N1C[C@H](F)[C@@H](OCc2nc3ccccc3n2C)C1 2356299095 WMMQFKDYNVRYCH-KXBFYZLASA-N 383.423 2.961 0 1 GFAF COc1ccc2nc(CO[C@H]3CN(Cc4ccc(OC)nc4)C[C@@H]3F)[nH]c2c1 2356302008 JSIJNCQFHGWLKR-YJBOKZPZSA-N 386.427 2.714 0 1 GFAF CC[C@H](O)[C@]1(C)O[C@]2(O[C@](C)([C@@H]3OC(=O)C(C)=C[C@@H]3C)C[C@@H]2C)[C@H](C)[C@@H]1O 2356629775 PUWSWDPZBXOVMY-FBGSCYERSA-N 382.497 2.562 0 1 GFAF CC[C@H](C)C(=O)OC(C)(C)[C@@H]1O[C@@H]2C=Cc3ccc(=O)oc3[C@@H]2[C@H]1OC(C)=O 2356652163 RGWXVYCMAYKPRS-HGRPFTGESA-N 390.432 2.817 0 1 GFAF CC(=O)Nc1cc2c(=O)n(Cc3ccccc3)c(C)nc2cc1N1CCOCC1 1360563 PEXKXCXPQKRXBO-UHFFFAOYSA-N 392.459 2.548 0 3 GFAF COc1ccc(C)cc1NC(=O)CN[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 2633591 FFFKADLMQSJNHU-AWEZNQCLSA-N 383.448 2.762 0 3 GFAF COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCCCC2)c1 11663180 JIZCOJWOXYUVCL-HXUWFJFHSA-N 387.524 2.615 0 3 GFAF COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@@H]21 6018798 DBCVUIBEXPYXAJ-NVYYXGKESA-N 384.476 2.656 0 1 GFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(CN4CCN(C)CC4)cc3)ccc12 58583177 DBUJQRALRKDCPM-UHFFFAOYSA-N 387.487 2.899 0 1 GFAF COC(=O)[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)N(C)C 26255173 HCDABYVZMHYMRK-LJQANCHMSA-N 397.475 2.989 0 1 GFAF COc1cc(Cl)nc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 28955394 PAIASQLAAOLZBT-UHFFFAOYSA-N 386.839 2.864 0 1 GFAF O=C1NC(=O)c2c1c(I)cc1[nH]c3ccc(O)cc3c21 34804038 LXRXUTLWPDXFCF-UHFFFAOYSA-N 378.125 2.515 0 1 GFAF O=C1C(=O)N2CCc3ccccc3[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 73219112 MDWPUZITRBRKBG-INIZCTEOSA-N 388.345 2.814 0 1 GFAF O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)C3CCCC3)C[C@@H]12 5396503 LYUFGEYQMKKHLA-SFHVURJKSA-N 393.443 2.742 0 1 GFAF biogenic C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1 147066662 ZVNGTCORBWGENG-LBPRGKRZSA-N 388.468 2.635 0 1 GFAF OC1CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 653795617 GIRRYIIDAVWQKO-UHFFFAOYSA-N 388.349 2.716 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N(CC(=O)O)N=O)cc1)[C@@H](C2)C3=O 587429601 QGWUJDMCXOIIKH-MGPUTAFESA-N 382.372 2.930 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979254 KUGIOZBXOCWSQZ-UHFFFAOYSA-N 387.646 2.688 0 1 GFAF N=c1c(-c2ccc3c(O)nc(O)nc3n2)c[nH]c2ccc(Br)cc12 587367498 XAVIMGMDNOAPMT-UHFFFAOYSA-N 384.193 2.826 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(CS(=O)(=O)O)C4(C)C)[C@@H](C2)C3=O 587451458 YEJDXYDUWAXDHP-FINPGKJESA-N 392.473 2.896 0 1 GFAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(CCO)cc2[nH]1 587203016 MLHRMSLKAOLQMJ-QGZVFWFLSA-N 383.404 2.540 0 1 GFAF COc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)N2CCCN(C)CC2)cc1C 12201700 BQWJSUQMKWXLSN-HXUWFJFHSA-N 385.552 2.770 0 1 GFAF COc1cc([C@H]2OC[C@H]([C@@H](OC)c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 200551758 KDVJSVPEOZSZGS-LATRNWQMSA-N 390.432 2.799 0 1 GFAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1 204190487 IRQFZJPZSCQTJK-UHFFFAOYSA-N 390.856 2.920 0 1 GFAF Cc1nc([C@@](C)(NC(=O)c2cnc(C3CC3)c(OCC3CC3)n2)C2CC2)no1 207393026 RVMPWSDXPAEYMM-FQEVSTJZSA-N 383.452 2.889 0 1 GFAF COc1ccc2c(c1)S(=O)(=O)CC[C@@H]2NCCOc1cc(F)ccc1F 1857537687 IQZURNHRQIKEQG-INIZCTEOSA-N 383.416 2.861 0 1 GFAF CN1CCC(SC(=S)NCCCCNC(=O)Nc2cccnc2)CC1 1857545664 GJCNKMUPPKBNPW-UHFFFAOYSA-N 381.571 2.685 0 1 GFAF COc1ccc2[nH]c(=O)cc(C(=O)Nc3nnc(-c4ccncc4)s3)c2c1 212480683 ONJKXZHDPBIRRB-UHFFFAOYSA-N 379.401 2.703 0 1 GFAF O=C(Nc1cscc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)OCc1ccccc1 3582316 DVZSUAKOPLUZGR-UHFFFAOYSA-N 387.373 2.651 0 1 GFAF Cc1ccnc2c1nc(COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)n2C 26826531 GEDVNJBBQRQVJE-AWEZNQCLSA-N 382.445 2.750 0 1 GFAF CN(CCOc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1nc2ccccc2o1 27316763 APVFEGIBRJEXFH-OAHLLOKOSA-N 379.416 2.548 0 1 GFAF COC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 29043669 FTQIAAZOFQGUCE-UHFFFAOYSA-N 376.376 2.506 0 1 GFAF CN(CCCn1c(N)nc2ccccc21)CCCn1c(N)nc2ccccc21 29403991 IZZSXLACIKGAIV-UHFFFAOYSA-N 377.496 2.963 0 1 GFAF Cc1cc(-c2nc3c([nH]2)C2=N[C@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1 72111266 ASPRGIZZIKFUIQ-CYBMUJFWSA-N 375.436 2.710 0 1 GFAF Nc1ccc(S(=O)(=O)N(COC(=O)c2ccccc2)c2cncs2)cc1 72178704 GGTZNYANJUDYCN-UHFFFAOYSA-N 389.458 2.735 0 1 GFAF CC(=O)Nc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1 73219075 STPLIPOPCFWZBX-UHFFFAOYSA-N 382.449 2.572 0 1 GFAF CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCNC(C)=O 82179706 MQBACWPWAICTCZ-UHFFFAOYSA-N 384.459 2.709 0 1 GFAF CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O 95895384 HLWYRRZQOIEKTJ-BHIFYINESA-N 384.451 2.646 0 1 GFAF COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2Cc3ccccc3O2)nc1=O 209692324 OPKHZFMSWRPFAF-KRWDZBQOSA-N 376.412 2.858 0 1 GFAF Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccccc4)C3)c(N)c2c1C 221820368 PSPLJDQXSIOGQS-UHFFFAOYSA-N 396.476 2.536 0 1 GFAF C[C@]12CC[C@H](O)C[C@H]1C[C@H]1O[C@]13[C@@H]2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@@]13O 263614866 XHBYSYUHABSUKR-FNDHLWAUSA-N 388.504 2.736 0 1 GFAF in-vitro Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(=O)O)cc2[nH]1 587181983 JVRYXSBWMPFGRZ-QMMMGPOBSA-N 396.188 2.980 0 1 GFAF CCc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 587182516 QGJUWMIQJFZQNL-UHFFFAOYSA-N 382.161 2.598 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 587232060 SFHZCDYLMAXKNL-UWVGGRQHSA-N 399.264 2.896 0 1 GFAF CCOC(=O)[C@@]1(c2nc3ccccc3n2C)CC(=O)c2cc(C)cc(N)c2O1 587391838 UHWKEXJJSKERKO-NRFANRHFSA-N 379.416 2.888 0 1 GFAF CC(=O)Nc1ccc(CN2C[C@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)cc1 2356299890 PXKKCFDQPGUEOB-QFBILLFUSA-N 383.427 2.655 0 1 GFAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C[C@@H]2OC(=O)[C@]4(C)C(=O)CC[C@]3(C)[C@@H]24)CO1 2356442687 MMALGGPAFYVCCV-HEKAFXIGSA-N 378.465 2.624 0 1 GFAF O=S(=O)(Cc1ccccc1)N1C[C@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356755343 BHHXOSVFGRUPFD-MAUKXSAKSA-N 390.436 2.897 0 1 GFAF CC[C@H]1Oc2ccccc2N(CC(=O)NCCCN2CCCC[C@H]2CC)C1=O 4100558 GPNVWHXBSLWUIM-IEBWSBKVSA-N 387.524 2.961 0 3 GFAF O=C(O)c1cn(C[C@H]2CN(c3ccc4c(c3)Oc3ccccc3O4)C(=O)O2)nn1 29130986 YOWKMYJELMTRGV-LBPRGKRZSA-N 394.343 2.900 0 1 GFAF Cc1cccc(C(=O)NCC(=O)N[C@H]2CCN(Cc3ccc(Cl)cc3)C2)c1 28388799 HFRUDMQWRWCIRG-IBGZPJMESA-N 385.895 2.769 0 1 GFAF O=C(N[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523662 MBZWSAFWQQFKOG-DXBBTUNJSA-N 376.504 2.942 0 1 GFAF CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1 26263104 WEQCLTHHZZNFDV-ZNMIVQPWSA-N 398.529 2.511 0 1 GFAF CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 20355058 BYXBLUXTCZCXHL-HOCLYGCPSA-N 375.494 2.550 0 1 GFAF Cc1cc(C(=O)N2CC[C@@]2(C)C(=O)NCc2cccc3ccccc23)nn1C 61896928 WFPRVEATGVREBM-QFIPXVFZSA-N 376.460 2.803 0 3 GFAF COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)c(O)cc1-n1cccc1 28119031 MJEOBYNCZHFEPQ-UHFFFAOYSA-N 391.435 2.615 0 1 GFAF COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=S)cc1 72184196 BBFMOMYMNDDVAB-HNAYVOBHSA-N 383.473 2.889 0 1 GFAF CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3C)nc2n(CCC)c1=O 40566751 NDXHRMLIAYGIDM-UHFFFAOYSA-N 392.463 2.867 0 1 GFAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OC[C@@H]3CCCN3C)co2)cc1 82073415 LOWZKAPBRKLCLE-PKOBYXMFSA-N 397.475 2.892 0 1 GFAF Cc1cccc(Nc2nc(N3CCNCC3)nc3c(NCC4CC4)ncnc23)c1 84616884 RXHZZAQKNLAKBE-UHFFFAOYSA-N 390.495 2.703 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3OC)cc2)[C@@H]1CNC(C)=O 95794685 PCDDEFDXTLGQFC-MIZPHKNDSA-N 396.487 2.564 0 1 GFAF C[C@@H](/C=C/C(=O)O)[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587832689 ZXWMPRANBMOBFW-NSVIHMSLSA-N 386.217 2.679 0 1 GFAF C=C1NC(=O)C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)=C(C)N1 587793708 KOYUWOYLIRQNGX-CQLKUDPESA-N 380.261 2.802 0 1 GFAF Cc1cccc2c1[C@]1(N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)C(=O)N2 962628748 HNLBHJDYBJHWRY-KZULUSFZSA-N 392.333 2.688 0 1 GFAF COC(=O)c1c[nH]c2cc(N3CCN(Cc4ccccc4)CC3)c(C)cc2c1=O 1772654060 SDMUTPOFJNXQMC-UHFFFAOYSA-N 391.471 2.945 0 1 GFAF O=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1)c1cccc(NC2=NCCCN2)c1 13911339 HISPCWBBRIZTIO-ZWKOTPCHSA-N 378.432 2.888 0 1 GFAF CC[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2CCCC[C@@H]2CC)C1=O 169300077 GPNVWHXBSLWUIM-HKUYNNGSSA-N 387.524 2.961 0 3 GFAF CCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344412 BPECEJDPRFPPQD-UUSOTWBNSA-N 395.499 2.919 0 1 GFAF C=c1c(C)c(O)/c(=C(/c2cccnc2)c2cccc(/C=C/C(=O)O)c2)c(C)c1O 169712488 YENNTHIVYZIQPG-RHCBPBRXSA-N 387.435 2.865 0 1 GFAF C[C@H](C(=O)N[C@@H]1COc2ccccc2[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 1857602168 DKLUNKKXISSMIY-XZOAIXRZSA-N 377.437 2.592 0 1 GFAF COc1ccc(-c2c(N)c(-c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 1857629137 CFOROIOBTTXJRQ-UHFFFAOYSA-N 388.427 2.557 0 1 GFAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(Cc1ccc(OC(F)(F)F)cc1)CC2 1857771865 QBJWSBZBKXUAIB-UHFFFAOYSA-N 395.429 2.980 0 1 GFAF COc1ccc2c(c1)c(CO)c1n2CCN2C(=O)c3cc(F)ccc3N(C)[C@H]12 222001371 JWIGIQFUBGQGFC-FQEVSTJZSA-N 381.407 2.886 0 1 GFAF Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1-c1ccccc1S(=O)(=O)C2 6839794 ANHQPYLSKIXJOE-UHFFFAOYSA-N 393.468 2.573 0 1 GFAF Cc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccco4)nn23)nc1 9744518 LHRABFRFMDIPPT-UHFFFAOYSA-N 377.408 2.604 0 3 GFAF Cc1cc(NC(=O)N2CCN(C)CC2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 59260770 XIGBTIXFXCZLOP-AZUAARDMSA-N 385.556 2.837 0 1 GFAF COc1ccc2nc(C[C@@H]3CN(C4CCOCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356303402 TXSMETWKTDDGMS-LSDHHAIUSA-N 387.480 2.706 0 1 GFAF C[C@]12CC(=O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 2356523413 QVOASVIYQDJABT-RTEWSMLSSA-N 388.504 2.783 0 1 GFAF CCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 20138943 UUHGVIRYFOYJIC-YADHBBJMSA-N 389.499 2.688 0 1 GFAF COc1ccc(C(=O)N2CC[C@](C)(O)[C@H](NC(C)=O)[C@@H]2c2ccccc2)cc1 2356770427 QCOOOIUTVJWVIA-VWPQPMDRSA-N 382.460 2.538 0 1 GFAF C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OC[C@H]1CCCN1C 82084054 QVEFLDLZJJDWRK-UKRRQHHQSA-N 388.493 2.642 0 1 GFAF COc1c2c(cc3oc(CO)c(CCC(C)C)c(=O)c13)O[C@H](C(C)(C)O)C2 85594518 IQKGCIVZNNOLKK-KRWDZBQOSA-N 376.449 2.957 0 1 GFAF biogenic,in-vitro CC(C)NC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1)C2 95667674 IPGHRGWSPZGGEK-LEWJYISDSA-N 379.504 2.819 0 1 GFAF O=C(NCc1cccnc1)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 96271371 JVBIKRUXOHUTOH-UHFFFAOYSA-N 375.450 2.545 0 1 GFAF CN1CCN(C(=S)SCc2cn(Cc3ccccc3Cl)nn2)CC1 96285692 DLYIMXHNKLQTKT-UHFFFAOYSA-N 381.958 2.745 0 1 GFAF COCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(F)c4)cc3[C@@H]21 95877860 CCYDRPIXILLTMH-NQSCKRDGSA-N 384.451 2.839 0 1 GFAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C 587638225 DIASMQUOKXKDFB-UHFFFAOYSA-N 398.371 2.615 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccncc1)CC2=O 587491546 VBPHEMLZNQCUDM-OAQYLSRUSA-N 383.400 2.733 0 1 GFAF COc1cc(I)c([C@@H]2NCCc3ccc(O)cc32)cn1 963352119 IYDZKIHVMQATPY-OAHLLOKOSA-N 382.201 2.636 0 1 GFAF CC(=O)C[C@]1(c2ccc3c(c2)OCCO3)NC[C@H]2CC(=O)N(C)c3cccc1c32 963031970 PCJWDXAULDICGS-IQMFZBJNSA-N 392.455 2.734 0 1 GFAF COP(=O)(OC)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 13443222 DFVOJHWDGTUIOJ-AEGPPILISA-N 382.353 2.645 0 1 GFAF Cc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 209535865 BPLPHDCYSOFWAG-HXUWFJFHSA-N 391.427 2.727 0 1 GFAF C[C@H]1C(=O)N(C)c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2N1C 1857633135 RGCXKMHNDZTXOF-NSHDSACASA-N 379.869 2.942 0 1 GFAF Cc1cnc(Nc2cc(N3C[C@@H]4C[C@H]3CN4C)cnc2F)[nH]c1=N[C@H](C)C(C)C 1857760147 GFUUFEUYGAMCSI-PVAVHDDUSA-N 399.518 2.834 0 1 GFAF C[C@H]1CCC[C@H](NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)[C@@H]1C 6839548 JANSESFGIKWRTR-ZENOOKHLSA-N 387.505 2.929 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(Cl)c(Cl)c1 13153012 YEFCTMCIJSAHED-RKRFWMIESA-N 377.227 2.691 0 1 GFAF COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1OC 13374204 JYNMXZAQJOLHEB-UHFFFAOYSA-N 388.372 2.850 0 1 GFAF biogenic C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 13386259 RRLBJDXMEHIJNG-WXYAXBRVSA-N 392.835 2.605 0 1 GFAF biogenic COCCNC(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCCN(C)C)c(C)c2C1 25206543 IJNPDCMEQGWZHS-SJLPKXTDSA-N 376.541 2.747 0 1 GFAF biogenic CN1Cn2c3ccc(O)c(Br)c3c3ccnc(c32)[C@H]1C[S@](C)=O 34492173 FKKGARBPUIRMFS-QVQLBTGDSA-N 394.294 2.980 0 1 GFAF biogenic COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCc1ccc2c(c1)OCO2 64426385 PWDHCZOBPQAMTP-SFHVURJKSA-N 399.443 2.734 0 1 GFAF COc1cc([C@H](O)[C@@H]2CCCN(Cc3ccccc3)C2=O)cc2c1OCCO2 103282818 VUDXYLUTAZGKHJ-PXNSSMCTSA-N 383.444 2.939 0 1 GFAF Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC[C@]3(CCCNC3)C2)nn1 146683587 RZKZALJPCPTXOQ-NRFANRHFSA-N 376.464 2.819 0 1 GFAF COc1cccc(-c2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[nH]n2)c1 150162183 IJUUSLZSQSEYSR-HXUWFJFHSA-N 378.432 2.999 0 1 GFAF C[C@@]1(c2cc(Br)ccc2F)CS(=O)(=O)C2(CCCC2)C(N)=N1 217076894 MGIAHZQTXAWEJX-AWEZNQCLSA-N 389.290 2.902 0 1 GFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(CO)cc2[nH]1 586965588 SKSSDBJFYTXSNS-UHFFFAOYSA-N 383.481 2.512 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587121043 PEQHDXCVMVFOMH-UHFFFAOYSA-N 399.276 2.638 0 1 GFAF O=S(=O)(c1ncccc1-c1nc2cc3c(cc2[nH]1)OCCO3)C(F)(F)F 587127219 OYSPVWBTNJPKNB-UHFFFAOYSA-N 385.323 2.690 0 1 GFAF NS(=O)(=O)c1ccc(F)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587142295 RZCGOOPMNBPCDK-UHFFFAOYSA-N 375.303 2.915 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1cccc(OCCN4CCOCC4)c1)[C@@H](C2)C3=O 587440705 BPVJWPOTWTZHQG-WMZHIEFXSA-N 395.455 2.895 0 1 GFAF O=C(Cn1c(O)nc2ccccc2c1=O)n1nc2cc1Oc1ccc(F)cc1-2 587875908 OTARFJWWQQOYEQ-UHFFFAOYSA-N 378.319 2.551 0 1 GFAF CCCCCC(=O)O[C@@H]1C=C2C(=O)OC[C@]2(O)[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]12 607857390 CCTUVGJRXQPMOJ-CLFNVJJBSA-N 380.481 2.510 0 1 GFAF biogenic COC(=O)c1ccc2[nH]cc([C@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2c1 963492021 PAYLNJFMONKCNB-JTSKRJEESA-N 394.427 2.831 0 1 GFAF C[C@@H](c1nc2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1)n1cccn1 1772584735 KDQVDBKIXNAPJC-JKSUJKDBSA-N 393.495 2.603 0 1 GFAF Cc1cc(Nc2nc(C(=O)N3C[C@@H](C)N[C@H](C)C3)nc3ccc(Cl)cc23)n[nH]1 1772612868 DCSCGJBLXPXCMB-VXGBXAGGSA-N 399.886 2.881 0 1 GFAF CNC(=O)c1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1 1772637326 NZIVBHCIRGQSRI-UHFFFAOYSA-N 386.458 2.616 0 1 GFAF C[C@@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(Cc2ccccc2)CC1 2356303004 JHNLYVPVRYXLGV-MRXNPFEDSA-N 392.459 2.748 0 1 GFAF CC(=O)O[C@@H]1CC2=C3[C@H](C[C@H](C)[C@]4(C[C@@H](c5ccoc5)OC4=O)[C@H]3C1)OC2=O 2356434832 GMHUPLXKKUACIO-VMVBSFGYSA-N 386.400 2.858 0 1 GFAF CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@H](C)C3)cc2)CC1 902172 MZLFICLLKHMARC-KRWDZBQOSA-N 393.553 2.778 0 3 GFAF COc1ccccc1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](O)[C@H]1O 2356286912 SHNMGCVIGUUKAP-CWLKWCNXSA-N 395.377 2.722 0 1 GFAF C[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1 26652096 HRRODBUEBLXULE-MGPUTAFESA-N 376.460 2.638 0 1 GFAF CC[C@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O 26569529 CHBRURPHFLGEIH-QGZVFWFLSA-N 395.459 2.801 0 1 GFAF Cc1cc(N)nc(C)c1CNC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1C 114079870 SMURPCKCNPZWTD-UHFFFAOYSA-N 398.488 2.558 0 1 GFAF O[C@H]1[C@H](O)CO[C@@H](n2cc(Cc3ccccc3)c3cc(F)c(Cl)cc32)[C@@H]1O 66104797 BCNHYMRFEXWESU-IYWMVGAKSA-N 391.826 2.636 0 1 GFAF CCNC(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72103360 INDBWMVRQCGEDA-QGZVFWFLSA-N 377.851 2.706 0 1 GFAF Cc1cc(NC(=O)C2=C3N=C(c4cccs4)C=C(C(F)(F)F)N3NC2)no1 49783816 IJNTWIFESBAWCT-UHFFFAOYSA-N 395.366 2.964 0 1 GFAF CC(=O)N1[C@H](CN(CC2CCC2)C(=O)CC2CC2)[C@@H](c2ccccc2)[C@@H]1CO 95895462 YYMFWQWOGGGCPW-FUPPJEDESA-N 384.520 2.791 0 1 GFAF CCCNC(=O)N1[C@@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(C)=O 95894964 LLORUJGLHNUMBM-PCCBWWKXSA-N 385.508 2.638 0 1 GFAF CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175468 YMKBRMVJKNLMCP-UHFFFAOYSA-N 388.435 2.857 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CC=CC4)n3)C2)cc1 261110806 HZWMXNMZSZXOJK-OXJNMPFZSA-N 393.491 2.708 0 1 GFAF CC(=O)c1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587204130 VEXBDOJKGCAFST-KRWDZBQOSA-N 381.388 2.688 0 1 GFAF CCOC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587582561 PUVNJVUKDCGNAD-NQIIRXRSSA-N 394.383 2.855 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(=O)N(C)C)cc1)[C@@H](C2)C3=O 587426588 AAWOXILSPKJWNQ-JTSKRJEESA-N 381.428 2.825 0 1 GFAF COc1ccc2c(c1)[C@](CS(C)(=O)=O)(c1ccc(F)cc1)N[C@H]1CC[C@H]21 962998318 VBRFBVGIJRZUIL-HOJAQTOUSA-N 375.465 2.972 0 1 GFAF O=C(O)C1=C(Br)C2=N[C@H](c3ccccc3)C[C@@H](C(F)(F)F)N2N1 13131004 SHTWFNUMLPJWME-IUCAKERBSA-N 390.159 2.972 0 3 GFAF CN(C)CCN=c1[nH]c(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccccc12 1857542633 AVJWGIXYWFOLIY-JLHYYAGUSA-N 396.516 2.599 0 1 GFAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 1857616152 JJIRPDIZJVWLJK-DAYGRLMNSA-N 378.365 2.811 0 1 GFAF O=C(Cc1ccc(O)c(F)c1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 6744645 KUZICSQPPAGZHD-UHFFFAOYSA-N 382.178 2.853 0 1 GFAF COc1ccc(CCc2ccc(C(=O)O)cc2)cc1Cc1cnc(N)nc1N 13559771 LUBRVLUNYNBWGR-UHFFFAOYSA-N 378.432 2.724 0 1 GFAF CC(C)n1cnc2c(N[C@H](CO)c3ccccc3)nc(N3CCC[C@@H]3CO)nc21 13834649 UVDXAWIPPFJUKV-IAGOWNOFSA-N 396.495 2.514 0 1 GFAF CS[C@@H]1NC(=O)[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)NC1=O 14443976 OUPACRHVFRGERT-FUHWJXTLSA-N 380.535 2.569 0 1 GFAF biogenic CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4ccccc4n2C)C[C@@]3(O)[C@H]1C5 29417167 KAJRIFUTBVZTDK-IBURTVSXSA-N 388.467 2.803 0 1 GFAF O=C(NCc1ccc(-c2noc(C3CCCCCC3)n2)cc1)[C@H]1NCC[C@@H]1O 58487316 QUGKMZYLJNELAC-ROUUACIJSA-N 384.480 2.513 0 1 GFAF CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3ccccc3F)n2)CC1 82175627 YVUOQSBYDIJBQD-UHFFFAOYSA-N 381.411 2.915 0 1 GFAF C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C(=O)O 103298526 MSLRNZRJNPZAOJ-ZETCQYMHSA-N 386.838 2.636 0 1 GFAF NC(=O)c1cc(NC(CO)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114603057 AFHDBPHDNSNVNN-UHFFFAOYSA-N 397.406 2.544 0 1 GFAF COCCOc1ccc(-c2cnc(COc3ncccc3C(N)=O)nc2)c(C)c1 169348929 ZZHLNWIIRSPNEC-UHFFFAOYSA-N 394.431 2.550 0 1 GFAF CC(=O)O[C@H](CO)[C@]1(C)C=C2CC[C@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)CO)[C@H]2CC1 238751263 GZEJNAZZGALFJP-LVXVCZMBSA-N 380.525 2.823 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCS3(=O)=O)cc1)O2 587412554 ZWYMOXVKQLGGEA-FQEVSTJZSA-N 386.473 2.998 0 1 GFAF COc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 653802068 VJONUBCNSKUVKZ-UHFFFAOYSA-N 377.379 2.838 0 1 GFAF COC(=O)[C@H](C)Oc1ccc([C@@H]2NCCc3c(C(=O)O)cccc32)cc1OC 963129985 HTCRWNZTFFZMCX-BUXKBTBVSA-N 385.416 2.569 0 1 GFAF COc1cc([C@H]2C(=O)N(C)C(=O)N2c2ccc(C)c(N)c2)cc(OC)c1OC 1857761339 ZRPZBMHIPVIVPA-KRWDZBQOSA-N 385.420 2.743 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C(=O)[C@H](C)[C@]23CC[C@]2(C=COC2)O3)C1(C)C 2356399178 PHNDFJBMMYOJPB-FSRAHUMVSA-N 392.492 2.772 0 1 GFAF C[C@]12CC[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CCC2=O 2356527199 YMVDNUQMQPOREU-FHIWRVIUSA-N 384.494 2.677 0 1 GFAF CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 4111331 ANDSXDKABIYGPB-HXUWFJFHSA-N 392.565 2.920 0 3 GFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccncc2)O3)c1 61902758 HPFJNYDEMUTJJT-FQEVSTJZSA-N 388.427 2.722 0 3 GFAF Cn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(=O)[nH]c3ccccc3c21 4922019 GKNNOPLOZONBIQ-UHFFFAOYSA-N 386.455 2.982 0 1 GFAF COc1cc(C[C@@H]2COC[C@H]2[C@H](O)c2cc(OC)c(O)c(OC)c2)ccc1O 13380186 XYTZIYNRZGBMDA-STXHMFSFSA-N 390.432 2.662 0 1 GFAF biogenic O=c1[nH]c2cc3cc(OCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1 13725741 CXKZVQGXPZXMLT-UHFFFAOYSA-N 383.429 2.647 0 1 GFAF NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2OC[C@@H]2CCCNC2)cc1 40410418 YYCVMZMWSRQJQI-OAHLLOKOSA-N 397.500 2.928 0 1 GFAF CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccccc3)C(=O)O2)cc1 40845102 URDGAIXSCSNCDL-OFFMQOAPSA-N 381.428 2.671 0 1 GFAF CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C(=O)c1ccccc1)C(C)C 95895347 XRUWEPTYFYYESG-FDFHNCONSA-N 380.488 2.913 0 1 GFAF Cc1c(Br)cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1C 586921821 NVOJLOWXRHGOCG-UHFFFAOYSA-N 397.298 2.791 0 1 GFAF O=S(=O)(Nc1ccsc1-c1nc2cnnc(O)c2[nH]1)c1ccc(F)cc1 587169893 FBZRMKGIUXHSSR-UHFFFAOYSA-N 391.409 2.727 0 1 GFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)c(F)cc2[nH]1 587204723 RVFDWEUBWDKNPF-LBPRGKRZSA-N 385.237 2.543 0 1 GFAF COc1cc2c3c(c1)O[C@@](C(N)=O)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416452 BIOOVOBPHGLEAW-UGSOOPFHSA-N 388.217 2.586 0 1 GFAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1cccc(F)c1)[C@@H](C2)C3=O 587428069 LYXRGOVJEZVQQA-KXBFYZLASA-N 376.405 2.522 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@H](C)C(=O)OCC)CC2=O 587476842 AZYMELCGKRYVTH-MPBGBICISA-N 378.421 2.811 0 1 GFAF CC[C@H](C(=O)OC)[C@@]1(C)NCC2(CCOCC2)c2ccc(OC)c(OC)c21 963191342 OHDWKEIDMPFQQU-JLTOFOAXSA-N 377.481 2.770 0 1 GFAF COc1ccccc1C(=O)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1 2356490458 JPHXYXVPEPNUJV-KRWDZBQOSA-N 383.423 2.597 0 1 GFAF COc1ccc([C@@H]2[C@H](C(=O)NC[C@H]3CCCN4CCCC[C@H]34)CC(=O)N2C)cc1 2356761389 DRUXYJWJUPVKGV-JWUVWSEFSA-N 399.535 2.595 0 1 GFAF CN(CCCNC(=O)C1=CN/C(=C\N=O)C=C1)CCCN(C)Cc1ccccc1 103864504 KNRSLAQFCLSNGC-FXBPSFAMSA-N 397.523 2.598 0 3 GFAF COc1cc2oc(-c3cc(O)c(OC)c(O)c3)c(OC)c(=O)c2c(O)c1OC 3589849 NZFZOWRVVVZRJU-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCN(CCO)CC2)cc1 28761672 HJHFEEUEXKTIKY-HSZRJFAPSA-N 395.547 2.868 0 1 GFAF CCN(CC)C[C@H](Cn1cnc2c(N)ncnc21)NCc1ccc(Cl)cc1 66075670 NZIBHEVNYLCJJG-MRXNPFEDSA-N 387.919 2.562 0 1 GFAF NC1=N[C@@H](c2ccc(F)cc2)NC(NCCCOc2ccc(Cl)cc2)=N1 71281130 UAMVKJSGQNXWSU-MRXNPFEDSA-N 375.835 2.810 0 1 GFAF N[C@@H]1CCCN(c2c(Br)cccc2/C=C2\SC(=O)NC2=O)C1 84652873 PYWZTKODXYPZLR-VPMLRQHESA-N 382.283 2.701 0 1 GFAF COC(=O)[C@@H]1C[C@]23C4=C(CC[C@@H]5CN6[C@H]7O[C@H](C[C@H]([C@@H]7C)[C@]62O)[C@@]53C)CC[C@@H]41 255288156 ZZRVJVJEALEZSI-KAYAUOBVSA-N 385.504 2.687 0 1 GFAF O=C1CCc2cc(/C=C/C(=O)N3CC(COc4cccc(F)c4)C3)cnc2N1 299827070 XMPSGKJNOMBDDG-QPJJXVBHSA-N 381.407 2.656 0 1 GFAF COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@@H]2O)cc1C(N)=O 299867242 XTQLBCNBWJJAFO-FVLHSZHDSA-N 399.443 2.668 0 1 GFAF Cc1nn(C)c(C)c1[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587758041 PBNLIMZZPASUJH-CQLKUDPESA-N 396.260 2.801 0 1 GFAF COc1ccc([C@@]2(C3CCNCC3)NCCc3c2c(C(C)C)nn3C)cc1OC 962922183 VTQKXOJROIVIOV-HSZRJFAPSA-N 398.551 2.950 0 1 GFAF CO[C@@H]1CN(Cc2ccccc2)CC[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962927442 RBLZWGCOAWFGBV-VWNXMTODSA-N 393.531 2.650 0 1 GFAF NS(=O)(=O)Oc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Cl 1911574567 FEJKGMZPNSBOTF-UHFFFAOYSA-N 384.885 2.621 0 1 GFAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@H]1CC=C1C[C@H]3C[C@@]12CC[C@]3(O)CO 2356326321 WQTFWVCETRQASJ-PPUJWOGTSA-N 378.509 2.577 0 1 GFAF CC=C1C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@]2(COC(C)=O)C(=O)OC 2356687869 DPOLCWCHNHLFAV-KSFYIVLOSA-N 382.460 2.924 0 1 GFAF Cc1cccc2c1nc1n2[C@H](CNCc2ccc(S(C)(=O)=O)cc2)COC1 2356758978 XAHRUUJMWMCURI-MRXNPFEDSA-N 385.489 2.609 0 1 GFAF CC(=CCC[C@H](CO)CCC=C(CC(=O)c1cc(O)ccc1O)C(=O)O)CO 2356825600 HSVUKDCQOJDZKZ-HNNXBMFYSA-N 392.448 2.789 0 1 GFAF O[C@@H]1CC[C@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@H]1CNC1CCOCC1 2356408990 VBTFHSQADAKFMH-SBHAEUEKSA-N 390.455 2.700 0 1 GFAF CCOC(=O)[C@H](CC)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 104103510 DBZCILJJLVAIIZ-ZDUSSCGKSA-N 376.413 2.633 0 3 GFAF CC[C@@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4CCN(C2=O)[C@H]13 100268650 LTQINICYLGNLHN-FKGHUWOASA-N 382.460 2.790 0 1 GFAF COc1cc2nc3c(c(N)c2cc1OC)CC[C@@H](CNC(=O)c1ccoc1)C3 103218937 URFTYZWWYGFIIW-GFCCVEGCSA-N 381.432 2.962 0 1 GFAF CNC[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(F)cc2)cc1Cl 103213892 MLEYXECALDJFKX-GOSISDBHSA-N 376.819 2.970 0 1 GFAF CCOC(=O)CCc1c(C)nc2nc(NCc3ccc(CC)cc3)nn2c1O 21178533 KACSHONCXYELDW-UHFFFAOYSA-N 383.452 2.809 0 1 GFAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3c(F)cccc3nc2-1 26384986 RIHNKQRGZVZZEF-OAQYLSRUSA-N 380.375 2.609 0 1 GFAF O=S(=O)(c1cn([C@@H]2CCNC2)c2ncccc12)c1cccc2cccnc12 28862270 SRQPELDDXIRLNJ-OAHLLOKOSA-N 378.457 2.952 0 1 GFAF CCC1=CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1C(=COC)C(=O)OC 2356453326 VCNYNWHVJKWJRQ-QOEFQVSFSA-N 382.460 2.968 0 1 GFAF Cn1cncc1C=CCNC(=O)c1cc(Br)c(Br)[nH]1 2356753002 MIGOKRSEXJTUCD-UHFFFAOYSA-N 388.063 2.716 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(OC)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356773868 KZMMOGWSMBTTFY-UTQQSMSJSA-N 392.448 2.546 0 1 GFAF CS[C@H]1C(=O)N[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C 2356794161 KYNWNEIOVRAUFT-HKUYNNGSSA-N 394.562 2.911 0 1 GFAF O=C(C[C@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc(F)cc1 35271576 PFQCCCKWAOJRHG-GOSISDBHSA-N 394.454 2.867 0 1 GFAF O=c1[nH]c2ccc(N3CCC[C@@H](O)C3)nc2nc1CSCc1ccccc1 37492573 WMYLWMFOBKQKGH-OAHLLOKOSA-N 382.489 2.713 0 1 GFAF O[C@@](CNCc1ccncc1)(Cn1cncn1)c1ccc(Cl)cc1Cl 40864780 OMELXDGHXZBRMK-KRWDZBQOSA-N 378.263 2.658 0 1 GFAF Cn1cc(-c2cnc(N)c(C(=O)NCc3c(F)ccc(F)c3Cl)c2)cn1 84709720 UDZPKJGSUGBHMY-UHFFFAOYSA-N 377.782 2.926 0 1 GFAF CC(C)Oc1cc(Oc2cnc(C(=O)N(C)C)nc2)cc(-c2nccc(=O)[nH]2)c1 96273787 ZDHXWYBRGMUZBA-UHFFFAOYSA-N 395.419 2.508 0 1 GFAF CC[C@@H](c1nnnn1-c1c(C)cccc1C)N1CCN(c2ccccn2)CC1 95571274 QXQBBXDHQOYJFV-SFHVURJKSA-N 377.496 2.947 0 3 GFAF COc1cc(OC)c(C(=O)[C@H](O)c2c(OC)cc(OC)cc2OC)c(OC)c1 238734985 HTPFKNVMRYAHSQ-LJQANCHMSA-N 392.404 2.655 0 1 GFAF O=C(NCc1ccco1)c1ccc(CN2C(=O)c3ccccc3[S@]2=O)cc1 299825426 JLCZCEVCGBDMNY-HHHXNRCGSA-N 380.425 2.888 0 1 GFAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1 586929995 KMFGKCKXEMNHKR-UHFFFAOYSA-N 380.735 2.757 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCOCC3)cc1)O2 587397918 CMTGSTNXMMWLTB-NRFANRHFSA-N 382.460 2.995 0 1 GFAF NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(Br)cc3[nH]2)c1 586929746 ICBFIORHCQAZON-UHFFFAOYSA-N 375.635 2.621 0 1 GFAF C=CN1CC[C@@H]([C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)C1=O 962891225 CTYGICARYPUJQG-DXIQSLLYSA-N 380.419 2.660 0 1 GFAF O=C1COc2ccc([C@@]3(C(=O)O)NCCc4c(Cl)cc(Cl)cc43)cc2N1 963105181 HSIXTYXTDHFAHG-GOSISDBHSA-N 393.226 2.798 0 1 GFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 1772652735 NREHNTHCACQXNW-CYBMUJFWSA-N 392.198 2.831 0 1 GFAF O=C(O)COc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1 1772641401 DZQDRELMSRPZRR-UHFFFAOYSA-N 380.335 2.791 0 1 GFAF COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496628 HPUXACWYEUDBLN-FBAVSBLXSA-N 396.418 2.516 0 1 GFAF COc1cc([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)cc(Br)c1O 1857576211 FKETVBZZCOJGKM-QWHCGFSZSA-N 392.209 2.586 0 1 GFAF COc1cccc(N2C(=O)CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@@H]2C)c1 12151431 UHOYMTMBYWIMGL-ZDUSSCGKSA-N 398.850 2.874 0 1 GFAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(Br)cc21 42922088 HRUCPMAUFWZHHA-NSHDSACASA-N 384.226 2.612 0 1 GFAF CNC(=O)Cn1c(=O)n(C2CCN(CC3CCCCC3)CC2)c2ccccc21 49111409 QVMAZSAMKIHHHL-UHFFFAOYSA-N 384.524 2.766 0 1 GFAF O=S1(=O)CC[C@@H](Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)C1 73224591 KYWSIAIGNRFJIT-LJQANCHMSA-N 391.533 2.965 0 1 GFAF CS(=O)(=O)N(C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)C1CC1 148600691 XVSHSUVVARAXIA-OAHLLOKOSA-N 394.443 2.858 0 1 GFAF CCOC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169302187 NKVDDHHSNMJOSL-ZQAYVECASA-N 392.455 2.767 0 1 GFAF O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O 169304979 LRPSJAPNXHWPGP-BMGDILEWSA-N 398.459 2.555 0 1 GFAF CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C1 169340840 ULBCYACPECVNJZ-OALUTQOASA-N 399.535 2.579 0 1 GFAF CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)CNC(C)=O 238763258 SQLQLDKOWUQTAV-XQHNBNJPSA-N 379.497 2.943 0 1 GFAF Brc1c[nH]c2nc(CSc3nc(-c4cccnc4)no3)nc-2n1 586966654 IDWXDPRAROLWAY-UHFFFAOYSA-N 390.226 2.804 0 1 GFAF OCCc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587112677 LLUHRPLNANWJPD-UHFFFAOYSA-N 388.353 2.818 0 1 GFAF Oc1nc(O)c(I)c(-c2nc3ccc(Cl)cc3[nH]2)n1 587181938 ITFKZOUPCPUULF-UHFFFAOYSA-N 388.552 2.689 0 1 GFAF CCNC(=O)CCc1nc2c(Br)cnc(Br)c2[nH]1 587229656 AKXOKQNJVVVLRL-UHFFFAOYSA-N 376.052 2.552 0 1 GFAF C[C@]1(CC(=O)N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347863 VJNYYWBZLDDABQ-IFMALSPDSA-N 399.418 2.898 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4[nH]cc(C(=O)O)c(=O)c4c1)[C@@H](C2)C3=O 587435794 IVXNVBAWXZKNCJ-NYHFZMIOSA-N 391.379 2.898 0 1 GFAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587451601 INGIELOKRZDTLH-NYHFZMIOSA-N 396.395 2.974 0 1 GFAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccnc(N)c2)c1F 1772603931 HVQJFOQCEFHAKC-QMTHXVAHSA-N 392.862 2.992 0 1 GFAF Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(CCO)CC3)CC2)c(C)c1 1857562007 AQDZSEPVAKFDSI-UHFFFAOYSA-N 394.581 2.859 0 1 GFAF Cc1cc(NC(=O)Cn2nnc(-c3ccnc(F)c3)n2)n(C2CCCCC2)n1 1857600208 CIOBUWQLMLGJEN-UHFFFAOYSA-N 384.419 2.523 0 1 GFAF CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1 4078109 DDAWIZYHZCAOHY-UHFFFAOYSA-N 390.490 2.513 0 3 GFAF COc1ccc(C(=O)N2CCC[C@@H](O)C2)cc1OC1CCN(C(C)C)CC1 12052792 LPUQSMCXNJNLJO-QGZVFWFLSA-N 376.497 2.544 0 3 GFAF COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C(=O)O 14714617 WCWYEXBIRSSVGF-UHFFFAOYSA-N 390.344 2.647 0 3 GFAF biogenic,in-vitro COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 4392061 BTQHAWWINOTNQQ-QPWUGHHJSA-N 379.478 2.703 0 1 GFAF in-vivo O=C1OC[C@@H](Cc2ccc3c(c2)OCCO3)[C@@H]1Cc1ccc2c(c1)OCCO2 2356291224 OJMUIANQXJLYDP-SJORKVTESA-N 382.412 2.803 0 1 GFAF O=C(COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 101659728 XCDQNQOMMMNKBJ-ILXADSSFSA-N 387.520 2.946 0 1 GFAF O=C(NC1(C(=O)N2CCC(O)CC2)CCCC1)c1cc2cc(Cl)ccc2[nH]1 29057086 SUMHUPSJPVPBRT-UHFFFAOYSA-N 389.883 2.847 0 1 GFAF CC(C)(C)NCC(=O)N1CCC[C@H]1C(=O)c1nnc(C2(C)CCCCC2)o1 28823409 FUBPVAQFPHIDBI-AWEZNQCLSA-N 376.501 2.853 0 1 GFAF C[C@@H]1CN(c2ccc(Cl)cc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C 114416986 VJJBCEKGAXKNSB-CQSZACIVSA-N 396.882 2.606 0 1 GFAF CCS(=O)(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 20289807 DEVUKPIITHAFLP-LPHOPBHVSA-N 393.578 2.939 0 1 GFAF CC/C=C/c1ccccc1-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 45495404 LPDVKGXCRPMUJL-IVORHXRQSA-N 382.416 2.720 0 1 GFAF Cn1nc(CC(=O)Nc2ccc(N)c(C(F)(F)F)c2)c2ccccc2c1=O 95595111 LFLJXRJBUXHCMS-UHFFFAOYSA-N 376.338 2.716 0 1 GFAF CN1CCN(c2ccc(-c3cncc(-c4ccc(-c5nnn[nH]5)cc4)n3)cc2)CC1 299828008 QGMYGIYPKCMKBB-UHFFFAOYSA-N 398.474 2.743 0 1 GFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799801 YSAXNOKQXHYVFI-UACCNCTJSA-N 397.288 2.821 0 1 GFAF COC(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2n1 586983717 HSQHWMFKGKYVCY-NSHDSACASA-N 375.226 2.750 0 1 GFAF N[C@H](Cc1ccc(I)cc1)c1nc2cnc(Cl)[nH]c-2n1 587183713 HLPPMCWRFXLUMM-SECBINFHSA-N 399.623 2.805 0 1 GFAF O=[S@](Cc1nc2c(O)nc(O)nc2[nH]1)C(c1ccccc1)c1ccccc1 586958155 DKBPVZYNHJVPMR-HHHXNRCGSA-N 380.429 2.802 0 1 GFAF O=C(N[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)C(=O)O)OCc1ccccc1 587202509 IYCUAFGHIRMVQA-AWEZNQCLSA-N 375.331 2.763 0 1 GFAF CCOC(=O)N1CCC(N2CCC[C@](CO)(Cc3cccc(OC)c3)C2)CC1 11763986 VEJWXYSZZCNYIY-QFIPXVFZSA-N 390.524 2.933 0 3 GFAF NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br 13488274 ZXAPFHLGYIBYHB-INIZCTEOSA-N 386.249 2.757 0 1 GFAF Cn1cc(F)c([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1 169708470 JCKADNLKXNAZNU-YCELRVBUSA-N 382.411 2.872 0 1 GFAF COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3)C(=O)C[C@@H]12 206392707 HSKVHRZUQPEYNA-MRXNPFEDSA-N 398.846 2.997 0 3 GFAF CN(CC1OCCO1)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167868003 AUCKXYDKSDPLCW-UHFFFAOYSA-N 381.432 2.679 0 1 GFAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@H]2C(=O)N(CC)C(=O)[C@@H]21 1857616154 JJIRPDIZJVWLJK-RKVPGOIHSA-N 378.365 2.811 0 1 GFAF COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H]4CC=C[C@]15c1cc[nH]c1C[C@]3(C)[C@@]245 2356343130 JFHIBKUEFPCDHR-XAKRMEESSA-N 381.472 2.963 0 1 GFAF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(OC)cc2)=N1 100983865 CTPOLKCZOFPIBR-RDJZCZTQSA-N 390.395 2.652 0 1 GFAF CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)[C@@H]1C(OC)OC 100086419 RUMNDHRJFIZARA-MRXNPFEDSA-N 389.448 2.636 0 1 GFAF O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1C(=O)N2CCSc3cccc1c32 26171531 YRMMLXIVGRMBPN-QMMMGPOBSA-N 386.380 2.732 0 1 GFAF COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)N3C)n2)cc1OC 114020235 BMYQCFDQDPBPQO-CQSZACIVSA-N 394.431 2.716 0 1 GFAF CC[C@@H](C)[C@@H](NC(=O)Cc1c(-c2ccccc2)oc2c(=O)cc(C)oc12)C(N)=O 2356766521 MBAOWNTVDZFHQZ-KZULUSFZSA-N 396.443 2.920 0 1 GFAF CCNC1CCN(c2c[nH]nc2-c2cc(Br)c(O)cc2O)CC1 34717854 LQUHOFCMDYVABR-UHFFFAOYSA-N 381.274 2.829 0 1 GFAF CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)[C@H](c1ccccc1)CN2 82209673 RRYRRSPOQCZBFM-KRWDZBQOSA-N 386.496 2.519 0 1 GFAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CC3)cc2F)cn1 224765333 FFKPCQKHUXZLCI-UHFFFAOYSA-N 384.436 2.973 0 1 GFAF CC1(C)c2[nH]c3cc(Cl)ccc3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@H]13 40379367 FVUWYWRUTUPOIL-NQERJWCQSA-N 383.879 2.905 0 1 GFAF O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 95667860 NTBBKECDPCPBFR-XZOQPEGZSA-N 399.494 2.937 0 1 GFAF COC(C)(C)Cc1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)cn1 147762640 LKASIFUXVDVWSE-UHFFFAOYSA-N 381.480 2.904 0 1 GFAF C=CC(=O)Nc1ccc(CN=c2[nH]c(Nc3cnn(C)c3)ncc2Cl)cc1 473088072 HYOSIQLNOXGGPS-UHFFFAOYSA-N 383.843 2.766 0 1 GFAF Nc1cc(C(=O)O)cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587249605 OXQYZYKROPKVDG-UHFFFAOYSA-N 385.323 2.804 0 1 GFAF Cc1cc(Br)ccc1-c1nc2nc(O)nc(O)c2cc1CC(=O)O 587365165 BBMUWYUHEXBNFW-UHFFFAOYSA-N 390.193 2.801 0 1 GFAF CN=c1[nH]c(N)c([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)s1 587414314 UFYCZHATDLVSRS-FQEVSTJZSA-N 380.473 2.989 0 1 GFAF Cc1ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2c1C 587180640 IXSUGWTWNUAUIU-UHFFFAOYSA-N 396.188 2.883 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)N1 587789072 BQQHOLALLUAFJU-JPZQVTKCSA-N 395.316 2.935 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)N1CCOCC1 587863956 URSPHWLSKDOVQX-LBPRGKRZSA-N 383.370 2.938 0 1 GFAF COC(=O)CCC[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963487871 FBOKDWMRWAVJBR-JTSKRJEESA-N 383.444 2.886 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(CC(=O)c1ccc3c(c1)OCCO3)NCC2 962929921 JJBVHZJEMXZBAY-QHCPKHFHSA-N 394.471 2.794 0 1 GFAF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@@H]1C(=O)N(C)C(=O)[C@@]12Cl 5824320 HJLALHCILCKSMC-SGLNWRHMSA-N 381.815 2.815 0 1 GFAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCP(=O)(O)O 13470211 CORBBDSFEDXTSS-LYDKCQJDSA-N 390.457 2.746 0 1 GFAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(N)=O)c4)nn23)cc1 169306671 WUXTVJVWSNBFOI-UHFFFAOYSA-N 392.440 2.566 0 1 GFAF CCCCNC(=O)[C@]1(C(=O)c2ccc(OC)cc2)CC(c2ccccn2)=NO1 203474117 FKLWFMNCPGDIOS-OAQYLSRUSA-N 381.432 2.753 0 3 GFAF Cc1nc(N(C)CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)oc1C 3788976 HLZUFJJOZAUDTE-HNNXBMFYSA-N 375.450 2.701 0 1 GFAF CC(=O)O[C@@H]1CCC(C)(C)[C@H](C=O)[C@]12COC(=O)[C@@]13C[C@@H](CC[C@H]12)[C@@H](C)C3=O 13339299 HZBMFLUUAAWLOC-LOMMWGAXSA-N 390.476 2.718 0 1 GFAF biogenic CCOCCn1cnc2sc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(C)c2c1=O 21146422 QZGKELKGSVECML-CHWSQXEVSA-N 377.510 2.921 0 1 GFAF c1ccc(Sc2nc(N3CCSCC3)nc(N3CCSCC3)n2)nc1 28703143 RVDNBJJVJWGBMQ-UHFFFAOYSA-N 392.579 2.524 0 1 GFAF O[C@@](Cn1cncn1)(Cn1nnc2ccc(Cl)cc21)c1ccc(F)cc1F 49803286 DZMKCQSTLGEBGQ-KRWDZBQOSA-N 390.781 2.542 0 1 GFAF CCOc1nnc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccn12 72127548 GDUKGJSJITWBSJ-UHFFFAOYSA-N 382.468 2.912 0 1 GFAF CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)C(=O)c1nc2ccccc2o1 82064555 ZDKQRTFIWPWJCV-GUYCJALGSA-N 385.464 2.990 0 1 GFAF CCNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1 84617188 GWOZCKNTUOJLEA-UHFFFAOYSA-N 382.449 2.615 0 1 GFAF CC(=O)N1[C@H](CNC(=O)C2CC2)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CO 95895140 DZMKJVSMHVDZJH-FSSWDIPSSA-N 396.462 2.694 0 1 GFAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccc(F)cc3F)cc2)CC1 96172302 LIVHZCAESPPPMN-CTNGQTDRSA-N 385.458 2.851 0 1 GFAF Cc1nc(C(F)(F)F)cc2nc(S(=O)(=O)Nc3cc(F)ccc3F)nn12 103211190 CBGWXLSIBNPZGM-UHFFFAOYSA-N 393.297 2.531 0 1 GFAF CC(C)(C)c1cc(Br)ccc1N1CCN(C(=O)CC(=O)O)CC1 114274558 MEJPGICCEBLBIM-UHFFFAOYSA-N 383.286 2.870 0 1 GFAF O=C(c1cccc(Cl)c1)N1CCN(c2nn3cnnc3c3ccccc23)CC1 169312434 FSCRNWJVBKJIHG-UHFFFAOYSA-N 392.850 2.893 0 1 GFAF CN(C)S(=O)(=O)c1ccc2c(c1)[C@H](c1[nH]c3ccccc3c1N=O)C(=O)N2 169692420 DLAKBAJGGWBFMB-OAHLLOKOSA-N 384.417 2.900 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c(C)ccc(C)c3[nH]2)[C@H](C)O)cc1 586936234 HZBPYYWMESMEBU-UGSOOPFHSA-N 389.477 2.589 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnnc(O)c3[nH]2)C[C@H]2CCCC[C@@H]21 586957788 FCLNKVHMFTVRIW-KCXAZCMYSA-N 399.476 2.753 0 1 GFAF Cc1nc2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc2cc1Br 586963264 ZCLGDZVDUDXVLC-LURJTMIESA-N 381.259 2.960 0 1 GFAF Cc1ncc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)c1Br 586979174 ITNHDVBWLPUERM-UHFFFAOYSA-N 381.255 2.652 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@H](CN[C@H]1C(=O)O)C3 586989355 GEGQTJCJBVYELX-BHIGOGECSA-N 386.407 2.539 0 1 GFAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(S(C)(=O)=O)ccc2[nH]1 587039624 UCGSEMXLKBGAST-UHFFFAOYSA-N 395.466 2.832 0 1 GFAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(C(N)=O)cc3[nH]2)cc1 587245263 RXOSRABCDIXPRY-UHFFFAOYSA-N 375.388 2.801 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587791943 NGTZKSSOLUQIQR-JMCQJSRRSA-N 398.232 2.817 0 1 GFAF Cc1ccccc1C(=O)N1C[C@@H]2C[C@H](NS(=O)(=O)c3cccs3)[C@H]1C2 618016400 CPGODGUVJBQPHI-VNQPRFMTSA-N 376.503 2.638 0 1 GFAF COc1ccc(C(=O)c2cc(C(=O)C(F)(F)F)n(-c3cnn(O)c3)c2)cc1 1772580697 XVKKCIHVBNRTGX-UHFFFAOYSA-N 379.294 2.896 0 1 GFAF C/C=C/C(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1nc(-c2ccccc2)no1 1857580705 LFTBEFAJHPKXHT-QHHAFSJGSA-N 388.383 2.981 0 1 GFAF CN1c2ccc(S(C)(=O)=O)cc2S[C@@H]1NC(=O)/C=C/c1ccc(F)cc1 1857597519 UPUPDHDFQAHFQP-YPHWWSSASA-N 392.477 2.884 0 1 GFAF COc1ccc([C@H](N[C@H](C(=O)O)C(C)C)c2nnnn2C2CCCCC2)cc1 1857609136 QCXPYCNLPJJIBN-ROUUACIJSA-N 387.484 2.975 0 1 GFAF NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3cccc(C(=O)O)c3)cc2)cc1 1911580536 OYOIAWKBJGRLED-UHFFFAOYSA-N 381.409 2.930 0 1 GFAF COc1ccc2c(c1O)N(C(C)=O)[C@@H]1[C@H]3CO[C@H](C)[C@H]4CCC[C@]21[C@H](N)C[C@H]43 2356586684 KJVGBOUBESFLFR-POYZWDCESA-N 386.492 2.556 0 1 GFAF CC[C@@H]1CN2C[C@]3(C[C@H]2C[C@@H]1C(=COC)C(=O)OC)C(=O)Nc1ccccc13 2356828364 IFWPFGIHYPPJOP-HCROLABASA-N 384.476 2.700 0 1 GFAF CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21 3959209 IMIVXGOYZFDRDY-UHFFFAOYSA-N 390.436 2.537 0 3 GFAF COc1ccc(CNC(=O)c2ccc(-n3cncn3)c3ccoc23)cc1OC 61905987 DENOJHUXTRTPLV-UHFFFAOYSA-N 378.388 2.961 0 3 GFAF C[C@]12[C@H](O)C[C@H](O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 14777350 CSKIDXJFNAYMTR-SNLNZYTDSA-N 390.520 2.575 0 1 GFAF CC1=Nc2nc(-c3cccc(C)c3)nn2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(N)=O 59566098 XPFCXFQBKFREGZ-ZWKOTPCHSA-N 389.415 2.779 0 1 GFAF Cc1ccc(Cl)c(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1Cl 64503744 GFEJULPRAJLLBB-UHFFFAOYSA-N 375.639 2.958 0 1 GFAF O=C(c1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 95569584 RJOUIUOITMHMDJ-VUCTXSBTSA-N 388.265 2.834 0 1 GFAF CC(C)[C@@H]1[C@@H](C(=O)N(C)C)N[C@@H](c2ccccc2)[C@@]12C(=O)Nc1ccccc12 95783413 MYXUSBMTJAGARL-NVJIOZQYSA-N 377.488 2.950 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)C3CC3)N(C(=O)C3CC3)[C@H]2CO)cc1 95895390 MWNWFHGTSYEWEH-OCVRTMJMSA-N 382.504 2.653 0 1 GFAF COc1ccc(OC(C)(C)C(=O)N[C@H]2[C@H]3C[C@@H]4C[C@@H]2C[C@@](C(N)=O)(C3)C4)cc1 100387756 MNVKIDPRYUGTTG-HAGFAAPASA-N 386.492 2.649 0 1 GFAF CC(C)(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 169308333 BCALBNNCQZJQOK-QWHCGFSZSA-N 383.500 2.693 0 1 GFAF CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4n3)cc2)CC1 199612486 MGMZJRZKBPOSFR-UHFFFAOYSA-N 375.428 2.808 0 1 GFAF O[C@@]1(c2ccccc2)CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1 205124374 NUEJFZBLJKXJOQ-QHCPKHFHSA-N 390.487 2.954 0 1 GFAF CCO[C@@H]1CN(C)C[C@H]1NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 219765667 FORAGEDAUSZGSN-IAGOWNOFSA-N 398.442 2.605 0 1 GFAF C[C@@H](Oc1nc(-c2cnn(C(F)F)c2)cc2ncsc12)[C@H]1CNC(=O)O1 473134075 BOAKEOMCZWRBDF-RDDDGLTNSA-N 381.364 2.826 0 1 GFAF O=S(=O)(/C=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1 586924263 NLZRLTUJCIIJCY-JYRVWZFOSA-N 383.473 2.840 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3cncc(Br)c3[nH]2)CC1 586952785 LNHCWTGFFXIZRR-UHFFFAOYSA-N 387.303 2.719 0 1 GFAF COC(=O)c1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1OC 587245924 AZHITXJBOMTIDY-OAQYLSRUSA-N 381.432 2.710 0 1 GFAF CCn1ccc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514064 FFQQMWWQNIWAPZ-QFIPXVFZSA-N 396.443 2.775 0 1 GFAF CCn1cc([C@@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517988 YKWGGVYNLFAWSE-QHCPKHFHSA-N 395.503 2.975 0 1 GFAF COC(=O)CCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587766137 FMQAAIOWZQRIJE-LBPRGKRZSA-N 399.304 2.977 0 1 GFAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(CC(=O)O)c2O)n1 587944352 FLFFGWZIMNDNEJ-UHFFFAOYSA-N 391.380 2.737 0 1 GFAF CN(CCOCCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1 13742423 GHQMZWFMHBZRED-UHFFFAOYSA-N 385.533 2.830 0 1 GFAF Cc1ccc(NS(=O)(=O)c2cc3c(cc2-c2cn[nH]c2)NC(=O)CO3)cc1C 64704923 QGZRLGJAYWKBMA-UHFFFAOYSA-N 398.444 2.825 0 1 GFAF Cc1cc(C(=O)NCCN(C)C)ccc1-c1cnc2ccc(NCC3CC3)nn12 72178408 MCUPHTQDMMFVAZ-UHFFFAOYSA-N 392.507 2.818 0 1 GFAF Cc1cccc2nc([C@@H](C)Nc3ncnc4[nH]cnc34)c(-c3ccccn3)c(=O)n12 114790153 WGTPXTPWJNFMAW-CYBMUJFWSA-N 398.430 2.904 0 1 GFAF C[C@H]([C@H](O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118925218 ASYNKIUHLPMXKX-BZRFUXQMSA-N 380.569 2.966 0 1 GFAF CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C12CC2 149419891 KFVQLLMGMYDUOM-NRFANRHFSA-N 396.422 2.964 0 1 GFAF COc1ccc2cc3[n+](cc2c1OC)[C@H](C(=O)O)Cc1cc2c(cc1-3)OCO2 200346640 SXLYAPDZKKFNIT-INIZCTEOSA-O 380.376 2.722 0 1 GFAF COCc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(NC(C)=O)c12 210720440 DJPJFGLNSQKKMB-LLVKDONJSA-N 382.424 2.945 0 1 GFAF COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1 221387228 ISAMJDYFGZTWHZ-NVXWUHKLSA-N 393.447 2.743 0 1 GFAF COC(=O)[C@]12CCCC3=C1[C@H](C[C@@H](C)[C@]31C[C@@H](c3ccoc3)OC1=O)O[C@H]2O 238765689 PRUZGIISEPDMEU-YDYULBBASA-N 388.416 2.651 0 1 GFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 586931038 ZRLJHPXUMRPVSK-UHFFFAOYSA-N 389.330 2.654 0 1 GFAF COC(=O)c1cc2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc2cc1OC 587044259 YGOQTMWTNVQHAW-ZDUSSCGKSA-N 377.466 2.978 0 1 GFAF Cc1cnc2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2c1 587128649 OJMLKENUVJPFCZ-UHFFFAOYSA-N 376.342 2.690 0 1 GFAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(I)ccc1C3 587371080 ZXFLYDUTOGIKNN-UHFFFAOYSA-N 377.141 2.612 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)C(=O)O)n1C)[C@@H](C2)C3=O 587420626 LIJLTCCRXJEYDY-BBATYDOGSA-N 377.343 2.873 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(N)=O)n(C)c2)N1 587749266 DEPQBOKYRGTDBV-XLFHBGCDSA-N 380.261 2.823 0 1 GFAF c1cncc(-n2c(CO[C@H]3CCCCO3)nnc2SC[C@@H]2CCOC2)c1 618017663 UVKVIZAJYSJYKQ-PBHICJAKSA-N 376.482 2.834 0 1 GFAF Cc1c(F)ccc2c1[C@]1(NCC2)C(=O)N(n2c(C)nnc2C)C2=CCCC[C@H]21 962374519 KZOYESXOANCKEH-IERDGZPVSA-N 381.455 2.546 0 1 GFAF Cn1ccnc1COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962926635 YCJBREWQNGRATQ-FXAWDEMLSA-N 381.407 2.827 0 1 GFAF CC(=O)C[C@@]1(C(F)(F)Br)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963031661 OJTHLFGGGJBCJP-ZUZCIYMTSA-N 387.224 2.902 0 1 GFAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(C)c(S(N)(=O)=O)c1)NCC3 963068783 QOQPIRKBECNOCO-OAQYLSRUSA-N 397.500 2.608 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)CCn1cccn1 963153489 WANJAGIDXZAXLR-UGSOOPFHSA-N 392.481 2.892 0 1 GFAF Cc1c(O)ccc2c1[C@H](c1ccccc1N1CCO[C@@H](C)C1)N[C@H](C(=O)O)C2 963490639 LJSHHTLUVIGZAB-GTXQTCRKSA-N 382.460 2.614 0 1 GFAF Cc1cc2c(nc1N1CCC(Oc3ccccc3)CC1)CN(S(C)(=O)=O)C2 1857755029 IHLVHUWOUBYZMV-UHFFFAOYSA-N 387.505 2.713 0 1 GFAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccc3c(c2)OCO3)CC1 2356286399 QVLFUYHVWOSPCW-IHPCNDPISA-N 399.535 2.587 0 1 GFAF CC[C@H](O)[C@H](O)CC=CCC=CCCCCCCCC(=O)OC[C@H](O)CO 2356577980 YTWKAWSYURUHGL-HSALFYBXSA-N 386.529 2.638 0 1 GFAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C2CCCCC2)C(=O)[C@@]31C 2157765 NITOJVBNQVKQOR-JOCHJYFZSA-N 381.476 2.951 0 1 GFAF biogenic Cc1ccc(C)c(Cn2nnc3c(O)nc(C(=O)Nc4ccc(F)cc4)nc32)c1 5059026 BLLWVWRTQUJQKC-UHFFFAOYSA-N 392.394 2.983 0 1 GFAF O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 13143578 XCDQNQOMMMNKBJ-IAVKXYEGSA-N 387.520 2.946 0 1 GFAF COC(=O)CSCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 13488393 MUBZHMHTJMLOHH-AYLUNBTKSA-N 391.533 2.824 0 1 GFAF CC1(C)C=Cc2c(ccc3c2O[C@@H]2COc4cc5c(cc4[C@]2(O)C3=O)OCO5)O1 14594241 UMORYJJPSIXKBM-XMSQKQJNSA-N 394.379 2.823 0 1 GFAF biogenic,in-vitro CC1(C)C=Cc2c(ccc3c2O[C@H]2COc4cc5c(cc4[C@]2(O)C3=O)OCO5)O1 14594243 UMORYJJPSIXKBM-PGRDOPGGSA-N 394.379 2.823 0 1 GFAF biogenic COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1 34022851 VFKVOTBFKBDPHZ-FQEVSTJZSA-N 386.404 2.960 0 1 GFAF Cc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)Nc1ccccc1 40977069 NLOPQWIRDMJABG-UHFFFAOYSA-N 375.450 2.660 0 1 GFAF COc1ccc([C@H]2CC(c3c(O)c4ccccc4oc3=O)=NN2C(N)=S)cc1 49112686 OICPYRAIWUJFBX-OAHLLOKOSA-N 395.440 2.902 0 1 GFAF O=C1c2cc3c(cc2OCN1CCc1ccccc1F)C(=O)N1CCC[C@H]1O3 72173372 OEKRPISMFSXWBH-LJQANCHMSA-N 382.391 2.815 0 1 GFAF CCC(CC)CNc1c2n(c(=O)n(CCc3scnc3C)c1=O)[C@@H](C)CN2 82211680 WOHDNGKVDVJNRA-LBPRGKRZSA-N 391.541 2.852 0 1 GFAF CS(=O)(=O)c1ccc(-c2ccc3c(NCC4CC4)c(C(N)=O)nnc3c2)cc1 95588513 OUVODORRDYCXFE-UHFFFAOYSA-N 396.472 2.621 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CN(C)C(=O)NC(C)C)cc1 95871962 NXOMLOHGIVAZQJ-SXQFCJCFSA-N 387.524 2.835 0 1 GFAF N[C@H]1CCCC(F)(F)[C@H]1NC(=O)c1cc(-c2cnc3cccnn23)cs1 96177976 VQUYUSDGYQLMQE-NHYWBVRUSA-N 377.420 2.703 0 1 GFAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1C(OC)OC 169721212 BSXTWOPWXFSUSL-HOTGVXAUSA-N 389.448 2.850 0 1 GFAF CC(C)[C@H](CO)NCc1nc(-c2cnc(OCC(F)(F)F)nc2)ccc1F 204425868 DJZWUMMUGAJZAV-HNNXBMFYSA-N 388.365 2.725 0 1 GFAF Cc1c2c(nn1C)C(=O)N(c1cc(F)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 220399366 VJPKOWZJHFRYJT-KRWDZBQOSA-N 386.814 2.970 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C 238763380 BMPRGPGLZWJNOP-CNIMQSSCSA-N 378.465 2.897 0 1 GFAF biogenic CC(=O)N1CCc2c(c(=Nc3cccc(C(=O)NC(C)C)c3)[nH]n2CC2CC2)C1 584905076 KDQSAWDSOXZXES-UHFFFAOYSA-N 395.507 2.501 0 1 GFAF in-vitro CCOc1ccccc1[C@](N)(c1nc2cccc(C(N)=O)c2[nH]1)C(F)(F)F 587092931 OWBZLUKDFVZFMJ-KRWDZBQOSA-N 378.354 2.825 0 1 GFAF Cc1c(F)ccc2c1[C@]1(NCC2)C(C(=O)O)=CN(C)c2cc(C(=O)O)ccc21 962088222 DIKFFBYTGMHJLR-OAQYLSRUSA-N 382.391 2.640 0 1 GFAF COC(=O)[C@@]1(CC(=O)c2ccc(C)cc2C)NCCc2c1c(C(C)C)nn2C 962917156 LLHMXVADAWSQQL-QFIPXVFZSA-N 383.492 2.947 0 1 GFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@H]3CCOC3)c2cn1)c1ccccc1 1772577063 OCWIGDKHRXGCKW-WMLDXEAASA-N 397.435 2.635 0 1 GFAF COC[C@@H]1OC[C@]2(C)[C@H](CC[C@]3(C)[C@H](CC(=O)N4CCCC4)[C@H](O)CC[C@H]32)O1 2356313796 BQOPDVGGLLQQJE-JEDIWYAWSA-N 395.540 2.580 0 1 GFAF CC(=O)c1c(C=C(O)CC(=O)O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2 2356320823 OVIPDYYHLHEFDF-UHFFFAOYSA-N 384.340 2.515 0 1 GFAF CNC[C@@H]1C=CN(C(=N)NC)C[C@]12[C@H]1CC[C@@H]3CC=C[C@@H]4CC(C(=O)O)=C(C1)[C@]432 2356705856 GBOTYAJSMKXMGZ-GSDVBJRWSA-N 396.535 2.569 0 1 GFAF CC(C)(O)[C@@H]1CC[C@](C)(C=CC=C(CC(=O)c2cc(O)ccc2O)C(=O)O)O1 2356861348 UHWQEZRJCQBGPF-RXVVDRJESA-N 390.432 2.946 0 1 GFAF CC(C)(C)NC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 3376287 LDWAXUWDQZKCFK-UHFFFAOYSA-N 399.878 2.780 0 3 GFAF CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](C2CCCCC2)[C@H]1CCCO 13656770 OHNXJPRLMSNGKE-DBXWQHBBSA-N 381.513 2.707 0 3 GFAF Cc1ccccc1N1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1 201467656 RAJOPRHDNFAALY-UHFFFAOYSA-N 391.471 2.575 0 3 GFAF COc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)NCc2cccnc2)[C@@H]2C=C[C@H]1C2 1224536 UUMOMJJBWIADAQ-GIYDNNGJSA-N 377.444 2.783 0 1 GFAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCN1CCOCC1 4213472 BALZSEYDMDMTEL-OALUTQOASA-N 377.485 2.742 0 1 GFAF COc1cc(OC)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1NC(C)=O 4241543 WCESRWVTCVMYMU-GFCCVEGCSA-N 390.461 2.802 0 1 GFAF in-vitro c1cc(C2=NCCN2)ccc1C[C@@H]1CCCN(c2ccc(C3=NCCN3)cc2)C1 5933279 SUXMEMWJKZRJOY-IBGZPJMESA-N 387.531 2.845 0 1 GFAF COc1ccc(OC)c(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)c1 6782240 LSDBWOIFAHGEEJ-UHFFFAOYSA-N 377.400 2.910 0 1 GFAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@@](C)(CC)O2 14966337 RNPYGOUJOKJBQI-OAQYLSRUSA-N 399.495 2.801 0 1 GFAF O=C(NCC[C@H]1CN[C@@H](Cc2ccccc2)CN1)NC12CC3CC(CC(C3)C1)C2 34892313 SJPFABYPAUVKDJ-XMDMRYHASA-N 396.579 2.817 0 1 GFAF O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCCC2)CC1 43202373 NDQLDTNYXPALFM-NRFANRHFSA-N 389.584 2.744 0 1 GFAF N[C@@H](Cc1cc(Cl)c(Cl)c(-c2ccccc2-c2nnn[nH]2)c1)C(=O)O 45348993 HPJPOELCYUAXOI-ZDUSSCGKSA-N 378.219 2.795 0 1 GFAF Cc1ncsc1CCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H](C)CN2 82211689 GXRLIYJYUNPCKX-LBPRGKRZSA-N 391.541 2.852 0 1 GFAF CCN(CC)CC(=O)NCc1cc(-c2c(F)c(F)c(F)c(F)c2F)no1 95555186 OWGCIKJFYMHSTB-UHFFFAOYSA-N 377.313 2.995 0 1 GFAF NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4cccnc4)c3)ncnc12 167024552 WHLKRBBRZJQSQQ-UHFFFAOYSA-N 398.426 2.797 0 1 GFAF CCc1[nH]c2nc(Sc3cncnc3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl 263620849 OOKWYXHTSPTWDS-MSRIBSCDSA-N 387.900 2.508 0 1 GFAF in-vitro CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1C(=O)OCC 299820709 GUPGTIFQEFDETP-LJQANCHMSA-N 394.427 2.894 0 1 GFAF Cc1ccc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(F)c1 587146870 ZDAGNTMVWSDASF-UHFFFAOYSA-N 375.425 2.698 0 1 GFAF Cc1c(I)cnn1[C@@H](C)c1nc2nc(Cl)c[nH]c-2n1 587183108 VMULBIKYQKRIOR-LURJTMIESA-N 388.600 2.677 0 1 GFAF CS(=O)(=O)c1ccc([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533772 VQJNBVSUMNQLBL-OAQYLSRUSA-N 386.469 2.822 0 1 GFAF CCn1cc([C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587764433 PTCLNMDHXRQIMM-JDNHERCYSA-N 382.233 2.667 0 1 GFAF COC(=O)[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587812313 YKGPDZNZIUNDRL-VKHBWIJISA-N 384.245 2.860 0 1 GFAF COc1ccc([C@H](O)[C@H](C)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587934358 CSUBYDQNMZLHPP-KPZWWZAWSA-N 389.477 2.659 0 1 GFAF Cc1cc2c(cc1O)[C@H](c1ccc(OC3CCOCC3)cc1)N[C@H](C(=O)O)C2 963505974 DGDWFYHNJONCSD-FPOVZHCZSA-N 383.444 2.947 0 1 GFAF COc1ccc(-c2cn3nc(-c4ccc(S(N)(=O)=O)cc4)sc3n2)cc1 1772639512 XOROYJAKDAWFBF-UHFFFAOYSA-N 386.458 2.781 0 1 GFAF CCc1nnc2n1CC[C@@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857637525 FMIRMSNWLXYYFB-OAHLLOKOSA-N 391.454 2.847 0 1 GFAF CCOC(=O)CCC(=O)Nc1cc(Nc2ccc(C(=O)OCC)cc2)ncn1 1857649760 RMKLYIVAFRWPAE-UHFFFAOYSA-N 386.408 2.679 0 1 GFAF CCC(=O)[C@@H]1C[C@@]2(CO)[C@H]3CCC4=C5[C@@H](CC4)[C@@H](C(=O)OC)C[C@]52CN(C)[C@@H]13 2356819204 FAAGNWHRMPLKSR-NJGKJSIJSA-N 387.520 2.574 0 1 GFAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cc(OC)ccc1Br 61927192 XYUHJOGXQXKTHR-QGZVFWFLSA-N 383.286 2.979 0 3 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C(=O)[C@H](C)[C@]23CC[C@@]2(C=COC2)O3)C1(C)C 2356399179 PHNDFJBMMYOJPB-JDCGTTMSSA-N 392.492 2.772 0 1 GFAF C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C/N=c2\c(N3CCCC3)c(O)c2=O)cc1 103009146 SEDJGOBAIVRBMG-ZVHAPPFCSA-N 395.503 2.638 0 1 GFAF COC(=O)CCCOc1ccc[n+]2c1[C-](CC(N)=O)[C@@H](C)[C@H]2Cc1ccccc1 53650929 KZDWTURLQLVJQI-VQIMIIECSA-N 396.487 2.538 0 1 GFAF CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)C)c3c2F)C1 25963094 GUTIIQCJYCJEHT-GFCCVEGCSA-N 393.434 2.995 0 1 GFAF O=C(c1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1OCc1ccccc1 29125587 KAAGALDTCRVWMR-IRXDYDNUSA-N 385.489 2.913 0 1 GFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)NCC2CCOCC2)O3)cc1 61904817 IOZIUPSWGKTCJC-HXUWFJFHSA-N 395.459 2.553 0 3 GFAF CNC(=O)Nc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1 45349826 JAGCOFIDZBUJCJ-UHFFFAOYSA-N 388.431 2.752 0 1 GFAF Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCOCC4)c3)cc12 45384548 LDMSKSONKNIPTC-UHFFFAOYSA-N 378.428 2.888 0 1 GFAF O=S(=O)(N[C@H]1CCN(CCOc2ccccc2)C1)c1ccc(Cl)s1 95573174 ALMBNZHSWURVRM-ZDUSSCGKSA-N 386.926 2.833 0 1 GFAF O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CC[C@]1(CCOC1)C2 144138092 DGTFAVKOOZFPJL-NRFANRHFSA-N 377.448 2.802 0 1 GFAF COc1ccc(-c2cc3c(C)nc(N)nc3n2[C@H]2CC[C@H](OCCO)CC2)cn1 261189312 YNFRHXFULXJLML-WKILWMFISA-N 397.479 2.885 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CN1CCOCC1)(c1cn(C)nc1C)CC2=O 587474070 AGTKGRMJAYHXBK-JOCHJYFZSA-N 399.491 2.580 0 1 GFAF Cc1cc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2cc1C 587186557 ZANFQDVNSLETJO-UHFFFAOYSA-N 396.188 2.732 0 1 GFAF COC(=O)[C@@H]1CC(OC)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600120 LKEBGXHYJHVOPN-LFRPXUGBSA-N 382.368 2.816 0 1 GFAF Nc1cc(C(=O)O)cc(-c2nc3cc(I)cnc3[nH]2)c1 587248776 DRHZDBZMORAJOA-UHFFFAOYSA-N 380.145 2.510 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)o1 586931348 RMDJLSMHMPIUQG-UHFFFAOYSA-N 397.460 2.905 0 1 GFAF COC(=O)c1cc2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2cc1OC 587052629 ZBIBSGCEYAQNKS-GFCCVEGCSA-N 375.812 2.960 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C2)N1 587789238 APKVJKVIAXPZAX-BLBCOPEYSA-N 397.288 2.790 0 1 GFAF COC(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2n1 587125039 OYCCJZSFSIEGOU-HQJQHLMTSA-N 380.330 2.916 0 1 GFAF Cc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Br 586928534 DWOHUJZTXLHUPE-UHFFFAOYSA-N 395.282 2.850 0 1 GFAF C[C@@]1(c2ccc(C(=O)O)o2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962674061 VHEXJXKYNTULLX-LEWJYISDSA-N 380.400 2.888 0 1 GFAF NCc1ccc2c(c1)CC[C@]21N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638439 UCDVWJOYPCNVJK-BEFAXECRSA-N 392.377 2.833 0 1 GFAF COc1ccnc(C[S@](=O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C 5116097 HJUSJYIODNLSRR-AREMUKBSSA-N 381.360 2.904 0 1 GFAF CSCCCN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 11843807 KNGUHZSVEWZFAA-SFHVURJKSA-N 390.597 2.627 0 1 GFAF CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)CCC(=O)OC)c3ccccc23)S1 169319786 HIULNWLCHNMPFA-APPDUMDISA-N 387.461 2.556 0 1 GFAF Nc1nc(N)c2nc(CN3c4ccccc4S[C@@H]4C=CC=C[C@@H]43)cnc2n1 169364227 PIZFEXJPPUNUID-GXTWGEPZSA-N 375.461 2.560 0 1 GFAF CNc1nc(Nc2cc(F)c(-n3nnnc3C)cc2OC)ncc1C(F)(F)F 169704361 FOJZRRGJMHYPHU-UHFFFAOYSA-N 398.324 2.713 0 1 GFAF O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@H](Cc3ccccc3)[C@]23C=C[C@H]1O3 2091455 FFCSIQDHUAMNEF-DUXQTRJFSA-N 375.424 2.665 0 1 GFAF Cc1ccc(C(=O)N2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 3591497 JOCUDUAJICRTKS-UHFFFAOYSA-N 375.428 2.644 0 1 GFAF Nc1cccc(-c2cccn([C@H](CN3CC[C@@H](O)C3)c3ccccc3)c2=O)c1 13488464 ZHNRRDSELDXVDH-IFMALSPDSA-N 375.472 2.754 0 1 GFAF O=c1oc2cccnc2n1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 27556532 RBRJDOPXFVWFDZ-UHFFFAOYSA-N 378.354 2.788 0 1 GFAF COc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN)c(N)c3)n(C)c2c1 40915436 PXPHDOYWDCCXMU-UHFFFAOYSA-N 383.448 2.533 0 1 GFAF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 64549004 NHCPMAKOQMYGRA-SFHVURJKSA-N 392.532 2.873 0 1 GFAF CCCOc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 72107821 YOMINPJUNVTECT-UHFFFAOYSA-N 376.434 2.773 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccc(F)cc3)cc2)C12CN(C(C)=O)C2 95666950 JNZSOJNEPOUUKL-IRLDBZIGSA-N 396.462 2.790 0 1 GFAF CCCNC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O 95894865 BRJDXNPJZHGCOW-NJDAHSKKSA-N 385.508 2.638 0 1 GFAF Cc1nc(C(F)(F)F)cc2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12 103211125 CBYZEHMTOIDXKM-UHFFFAOYSA-N 393.297 2.531 0 1 GFAF Cc1nc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)no1 113400559 MGKQMRGQRNCSMN-UHFFFAOYSA-N 391.309 2.801 0 1 GFAF NC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586952817 HZQZJXAONQNWGX-UHFFFAOYSA-N 399.457 2.586 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c12 587058706 IJPSWYCPLXHNQO-CYBMUJFWSA-N 378.885 2.709 0 1 GFAF Nc1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1C(=O)O 587248205 IFLFYOZXBBGPHE-UHFFFAOYSA-N 376.166 2.971 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(N)=O)n(C)c2)N1 587749264 DEPQBOKYRGTDBV-HUTHGQBESA-N 380.261 2.823 0 1 GFAF Cc1ccc(N2CCC(c3[nH]nc4c3[C@](O)(C(F)(F)F)CC(=O)N4)CC2)nc1 1857557623 KZFSUVIBMZAYBQ-KRWDZBQOSA-N 395.385 2.589 0 1 GFAF CCOC(=O)c1s/c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)oc1C 1911574095 UOCSRCBWSRLYCK-ZCXUNETKSA-N 381.406 2.593 0 1 GFAF CC(C)=CCn1cc(C[C@@H]2NC(=O)C(=Cc3c[nH]cn3)NC2=O)c2ccccc21 2356679895 LNDPRITVIFKMJL-SFHVURJKSA-N 389.459 2.529 0 1 GFAF CC(C)CC[C@]1(O)c2cc3c(O)cccc3c(O)c2C(=O)[C@H](C)[C@@]1(O)C(=O)O 2356789165 CZCMNEIPHMQXSR-ZTQXTMOCSA-N 388.416 2.523 0 1 GFAF C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCO1 4410576 ANBKWOVLQRFZTG-BPQIPLTHSA-N 392.496 2.780 0 1 GFAF CC(C)NC(=O)N1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@@H]2C1 25208235 WCLLRHIVLCCWIY-KRWDZBQOSA-N 398.488 2.612 0 1 GFAF biogenic CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1c[nH]cn1 29565366 ZOZQNPGFVPMJCS-SFHVURJKSA-N 383.452 2.501 0 1 GFAF CCc1c(C(=O)OC)c(C=O)c2n(c1=O)CCc1c-2[nH]c2cccc(OC)c12 32296332 REAILSCOPNKOKV-UHFFFAOYSA-N 380.400 2.723 0 1 GFAF biogenic CNc1nc2[nH]c(-c3cccc(CNC(=O)CCOC)c3)cc2c2c1ncn2C 43077094 HLIYWFVKEYJMNH-UHFFFAOYSA-N 392.463 2.811 0 1 GFAF O=[N+]([O-])c1nc2n(n1)C[C@@H](OCc1ccc(OCc3ccccc3)cc1)CO2 59096138 NIFJAUFSLDXEQK-QGZVFWFLSA-N 382.376 2.743 0 1 GFAF COc1cc(OC)cc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)c1 66258324 UERGAMDIPWLEOE-UHFFFAOYSA-N 399.403 2.541 0 1 GFAF O=C(CCc1cc2n(n1)-c1ccc(O)cc1CC2)Nc1ccccc1C(=O)O 71342025 PSBBUVPVZDYJHQ-UHFFFAOYSA-N 377.400 2.946 0 1 GFAF O=C(NCCN1CCC(C(=O)NCC2CC2)CC1)c1ccc2ccccc2c1 72135887 LDZYPCHHJIQYFL-UHFFFAOYSA-N 379.504 2.808 0 1 GFAF CCC(=O)N1[C@H](CNC(C)=O)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95895530 VHZPWRJIRZNYCG-URVUXULASA-N 384.451 2.694 0 1 GFAF NC(=O)c1cnc(NC[C@@H]2CCCNC2)n2cc(-c3ccc(Cl)cc3)nc12 96269923 MDPIEVAHTVKPRT-GFCCVEGCSA-N 384.871 2.560 0 1 GFAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnco3)c2)c2cncnc21 169707927 SAHSCBJGJRSNIR-UHFFFAOYSA-N 376.376 2.879 0 1 GFAF C[C@H](O)CN1CCN(CC[S@](=O)C(c2ccccc2)c2ccccc2)CC1 224984159 NHPORSWAQBHGFF-PPHZAIPVSA-N 386.561 2.523 0 1 GFAF CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 299873897 AMODCMJMLGQORR-AOIWGVFYSA-N 388.508 2.966 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C(=O)O)[C@H]3C(=O)O 586990538 LJZFIVCVPFACSK-ZUZCIYMTSA-N 375.336 2.577 0 1 GFAF Cc1cnc(Cl)c2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587202382 HUIUYBGHYUPXNY-GFCCVEGCSA-N 388.811 2.842 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587234279 YRLDCTZJNRILAC-NWDGAFQWSA-N 381.454 2.970 0 1 GFAF O=C1CC2(CCN(C(=O)c3cnccn3)CC2)Oc2c1ccc1c2CCCC1 587514275 MYGHWVJTWXOHKK-UHFFFAOYSA-N 377.444 2.996 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C)CCn1cccn1 963153488 WANJAGIDXZAXLR-SCLBCKFNSA-N 392.481 2.892 0 1 GFAF CC(C)(O)[C@@H]1Cc2cc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1 1857655471 DLXKJAGJQUQBCR-MSOLQXFVSA-N 382.412 2.904 0 1 GFAF CC(=O)O[C@@H]1C=CC[C@H](C(C)=CC=C[C@H](C)O)OC(=O)C[C@H](O)CC[C@@H]1C 2356413011 KCPFGCOVIHILBY-ORFRNNEJSA-N 380.481 2.840 0 1 GFAF COc1c(C)c(OC)c2c(c1C=O)OC[C@@H](Cc1ccc3c(c1)OCO3)C2=O 2356437834 KDFMFFDXKBBDSP-CYBMUJFWSA-N 384.384 2.987 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 2356537609 YTKUUOVYXFLJGW-CJLIMCNOSA-N 378.465 2.897 0 1 GFAF CCCS(=O)(=O)N1CCC(Cc2ccc(OC)cc2)(C(=O)OCC)CC1 13545327 HUGUDLIYXQPZHJ-UHFFFAOYSA-N 383.510 2.623 0 3 GFAF O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](C2CC2)C[C@H](OCCCCO)O1 13656995 BNPYGVXFCGAXMQ-MGPUTAFESA-N 385.464 2.625 0 3 GFAF CSc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(C)(=O)=O)c1 2466164 YRPSWYHYKQPESR-KRWDZBQOSA-N 376.503 2.734 0 1 GFAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCO 4152149 VYVABIRISYAYGC-CTNGQTDRSA-N 398.459 2.684 0 1 GFAF CC[C@H]1CC[C@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc3ccccc23)C1 28892104 HFCVJZGCTXOFHH-LNLFQRSKSA-N 390.549 2.990 0 1 GFAF CC(=O)O[C@H](CC(C)=CCCC(C)=CCCC(=CCO)CO)[C@H](O)C(C)(C)O 2356590077 DBAHGLBNNDLYHN-RTWAWAEBSA-N 398.540 2.804 0 1 GFAF CCc1cc(=O)oc2cc(OCC(=O)NCC3CCC(C(=O)O)CC3)ccc12 2158311 VAINHEDGSJOOKU-UHFFFAOYSA-N 387.432 2.741 0 3 GFAF biogenic COC(=O)C1=CO[C@H](C)[C@@H]2CN3[C@H](C(=O)O)Cc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 13383458 KLVJWWMEDXWHEI-ZQVYDFGMSA-N 396.443 2.632 0 1 GFAF biogenic NC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(Nc3ccccc3)nc1-2 49784612 HWASNOYCCGHVQF-UHFFFAOYSA-N 388.353 2.844 0 1 GFAF CC(C)N(C(=O)N1CCN(c2nc(N)nc3sc(F)cc23)CC1)C(C)C 45356103 PIPFLQOMOORPOZ-UHFFFAOYSA-N 380.493 2.773 0 1 GFAF Cc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23CN(C)CCC3=O)cc1 43063215 VBNWGUXUDFZPPI-YGOYIFOWSA-N 389.499 2.763 0 1 GFAF COC1CCC2(CC1)Cc1ccc(-c3cccnc3)cc1[C@]21N=C(N)N(C)C1=O 141360084 PNBXBKXPZDFHIM-UWFXLKAESA-N 390.487 2.862 0 1 GFAF CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc(C)c1 299885306 VGKHETIUGUCAEJ-NVXWUHKLSA-N 395.507 2.682 0 1 GFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](C)CN(C)C 299874363 BHCQIDIIDHSOBC-LXGCGDOSSA-N 385.464 2.836 0 1 GFAF CNC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 653768328 WHROYGBSCLZBMU-UHFFFAOYSA-N 377.400 2.699 0 1 GFAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(O)nc(S)nc4[nH]3)c2)c1 587234916 JZBDFDLGHASRPI-UHFFFAOYSA-N 391.456 2.965 0 1 GFAF COC(=O)c1cc2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc2cc1OC 587131476 JQWXMPHPGPMALL-UHFFFAOYSA-N 382.363 2.977 0 1 GFAF CC1=C[C@@]2(CC(=O)N1CC(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 587761442 UIFMFVYHFNOHKT-XYZCENFISA-N 397.244 2.538 0 1 GFAF COc1cccc([C@@H]2C=C(c3ccccc3)NN2C(=O)CCC(=O)O)c1OC 957698183 CUHQWFDSGILUCX-KRWDZBQOSA-N 382.416 2.998 0 1 GFAF Cc1cc2c(cc1O)[C@H](c1c(N(C)C)nc3ccccc3c1O)N[C@H](C(=O)O)C2 963491427 NQBFLWYUVPSSDA-QFBILLFUSA-N 393.443 2.709 0 1 GFAF C/C=C1/CN2CC[C@H]1[C@@](COC(C)=O)(C(=O)OC)c1[nH]c3ccccc3c1C2 14827332 FFOLRDAPZBOCPV-RCKFTZBTSA-N 382.460 2.924 0 1 GFAF O=S(=O)(NCc1cc(-c2ccc3c(c2)OCO3)no1)c1ccc(F)cc1 1251693230 JBPMIIXTLCCNLM-UHFFFAOYSA-N 376.365 2.688 0 1 GFAF O=C(Nc1ccc(S(=O)(=O)C2CCOCC2)cc1)[C@@H]1C[C@H]1c1cccnc1 103241129 ZJADCXIYQQSUTG-RBUKOAKNSA-N 386.473 2.777 0 1 GFAF O=C(NCc1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1)c1ccc(F)nc1 58591398 FQECDJFBKXFTIW-UHFFFAOYSA-N 392.398 2.538 0 1 GFAF in-vitro COCc1nnc(N2CC(Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 45339095 PLAXNJZZHKHVHY-UHFFFAOYSA-N 399.426 2.532 0 1 GFAF CCOC(=O)c1cc(=O)c2cc(CSC(=S)N3CCOCC3)ccc2o1 43119142 NTBQYKOKZMBMNT-UHFFFAOYSA-N 393.486 2.820 0 1 GFAF COCc1nc(C)nn1-c1cc([C@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1 220093236 BCXVMJGBVMARTJ-LSDHHAIUSA-N 389.463 2.978 0 1 GFAF COc1cc2c(cc1OC)[C@]1(Cc3c(ccc4c3OCO4)[C@]1(C)O)N(C)CC2 85816986 YSYUQMOGFFJWGB-VXKWHMMOSA-N 383.444 2.580 0 1 GFAF CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3C)cc1)[C@H](CO)N2C(C)=O 95794059 HFPFWOUAQJBAPK-FCHUYYIVSA-N 378.472 2.570 0 1 GFAF COc1cc([C@H]2Oc3c(OC)cc(/C=C\CO)cc3[C@@H]2CO)cc(OC)c1O 238787925 SGRRPSBKBJVKJE-QYDDKUKRSA-N 388.416 2.633 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 95793997 MWGJDOOTXHORJC-NHCUHLMSSA-N 397.494 2.960 0 1 GFAF CNC(=O)c1coc([C@H]2[C@H](Cc3ccccc3CCC(=O)O)[C@H]3CC[C@H]2O3)n1 261186740 XRRNUAXUYMWVSW-MYZZLAAOSA-N 384.432 2.555 0 1 GFAF COc1ccccc1COC(=O)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 377815849 MXWCGBYPRHHEPY-UHFFFAOYSA-O 385.787 2.749 0 1 GFAF O=C(NCc1nc2ccc(I)cc2[nH]1)c1cscn1 587027802 HEQOLZCOUPULBT-UHFFFAOYSA-N 384.202 2.554 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C/C1=C\N(C)C)O2 587396690 VQFYTAPXAMOETM-PAGBRTJLSA-N 387.480 2.977 0 1 GFAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Cl)c(F)cc2[nH]1 587226703 FHSASIPSTFFSQM-UHFFFAOYSA-N 390.802 2.898 0 1 GFAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)C(C)C 586933294 PBGFAIJEAMSWAA-SFHVURJKSA-N 396.557 2.920 0 1 GFAF CCOC(=O)CC[C@@]1(c2ccc(CN3CCC3)cc2)c2c(cnn2C)CCN1C 963955997 UFJBVPDTLOWOAV-HSZRJFAPSA-N 396.535 2.701 0 1 GFAF CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCOCC1)c1ccccc1-2 13796095 AUVJTUHQUMCXBP-UHFFFAOYSA-N 384.436 2.600 0 1 GFAF CCc1c(-c2cccc(N3CC[C@@H](NCNC)C3)c2)nc(O)c2c(O)nsc12 1857611131 DAPZDNZAJRPWBR-CYBMUJFWSA-N 399.520 2.677 0 1 GFAF C#CCN(Cc1ccccc1C)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 142500031 GTVOYYCJPUSAIO-QFIPXVFZSA-N 396.441 2.888 0 1 GFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 2079264 ZZTMQFYXUCRZOR-BZUPMSHVSA-N 395.436 2.766 0 1 GFAF N=C(N)c1cc2[nH]c(-c3cccc(OC[C@@H]4CCCNC4)c3O)nc2cc1F 12354935 TYKNBRGVFCIVAT-LLVKDONJSA-N 383.427 2.737 0 1 GFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 28522109 QDNGVIMUWLFPTA-AGCIHXOGSA-N 376.865 2.861 0 1 GFAF O=C(O)COc1ccccc1C(=O)NCc1ccc(Br)cc1F 28875638 ZOVORMKZRSIBOR-UHFFFAOYSA-N 382.185 2.982 0 1 GFAF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCOCC3)c(F)cc2c1=O 29338467 VBYVJSSJBFHEEU-UHFFFAOYSA-N 386.354 2.804 0 1 GFAF O=S1(=O)CC[C@H](Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)C1 73224592 KYWSIAIGNRFJIT-IBGZPJMESA-N 391.533 2.965 0 1 GFAF NC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)cc(Cl)c3)c2c1N 73240600 WCYRSSJUYMQAFK-UHFFFAOYSA-N 375.841 2.973 0 1 GFAF CN(CC(N)=O)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82073946 USCFKYXCQVFZCA-UHFFFAOYSA-N 395.259 2.937 0 1 GFAF CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)C1 82204007 MPVPPQZRPZUUSS-DKIMLUQUSA-N 375.517 2.505 0 1 GFAF CC(C)NC(=O)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N(C)[C@H]2CO 95878603 ROLSNKBZZJBICT-RCBQFDQVSA-N 382.302 2.741 0 1 GFAF O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F 95894078 LRMMVBQEHJINRJ-SLFFLAALSA-N 380.419 2.551 0 1 GFAF COc1ccc(OC(C)(C)C(=O)NC2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)cc1 101439809 MNVKIDPRYUGTTG-UAASOLKGSA-N 386.492 2.649 0 1 GFAF COc1ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)n2nc(C3CC3)nc12 113276270 VFOASTYKEOPXPU-UHFFFAOYSA-N 393.230 2.981 0 1 GFAF O=C(NCCc1cccnc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167180761 NCDKUYAXMYPSED-UHFFFAOYSA-N 388.471 2.607 0 1 GFAF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]12C[C@H]1[C@@H](N=O)c1ccccc1O2 169716581 MZNKZHJGVLNPEC-STHPQGGCSA-N 380.400 2.546 0 1 GFAF O=C(CC[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1)NCc1nc(-c2ccccc2)cs1 206314132 OZPPKJVBZGWMDO-BQFCYCMXSA-N 398.532 2.811 0 1 GFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586957804 CZMJALCJKLNDBL-AWEZNQCLSA-N 387.248 2.734 0 1 GFAF Oc1nncc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586966905 VNDPXEJSNGYHGP-UHFFFAOYSA-N 379.449 2.868 0 1 GFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cncc(Br)c2[nH]1 587223741 FMHBMAGVHHCRQV-SNVBAGLBSA-N 375.226 2.804 0 1 GFAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c(C2CC2)n1 587232156 LXHNSJAGFRMPTJ-UHFFFAOYSA-N 381.440 2.681 0 1 GFAF COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCOCC1 587401087 SKYDVPWSMBMNSE-HXUWFJFHSA-N 396.443 2.907 0 1 GFAF COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccccc1F)[C@@H](C2)C3=O 587425665 GDNWEFRRLFHJNY-IFXJQAMLSA-N 376.405 2.522 0 1 GFAF COc1cccc(-c2cccc(-n3c(O)c(CC(=O)O)c(CC(=O)O)c3O)c2)c1 587936922 DWPVWHSYMRLJKU-UHFFFAOYSA-N 397.383 2.818 0 1 GFAF c1cncc(-n2c(CO[C@H]3CCCCO3)nnc2SC[C@H]2CCOC2)c1 618017673 UVKVIZAJYSJYKQ-YOEHRIQHSA-N 376.482 2.834 0 1 GFAF COc1cccc2cc3c(nc12)[C@](C)(c1cc(S(N)(=O)=O)ccc1C)NCC3 963064290 GVFBBENYVXYROW-NRFANRHFSA-N 397.500 2.608 0 1 GFAF COCCOc1ccc(-c2nnc(-c3ccc4c(c3)C[C@@](N)(CO)CC4)o2)cc1 1772636342 BNQFDYZDXGMLQB-JOCHJYFZSA-N 395.459 2.607 0 1 GFAF CC(=O)O[C@@H]1C2=C([C@@H]3OC(=O)C(=CO[C@H]4C=C(C)C(=O)O4)[C@@H]13)C(C)(C)CCC2 2356680332 DLRIUVHQJRZTMZ-CYGHRXIMSA-N 388.416 2.710 0 1 GFAF Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCC[C@@H]3C)n2)cc1 2965220 WCQNIJQJOYJBTO-SFHVURJKSA-N 382.508 2.599 0 3 GFAF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@H]1C(=O)CO 3876143 VWVSBHGCDBMOOT-RJELCWKXSA-N 376.468 2.781 0 3 GFAF in-vitro CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 4040704 UWECVXKHSTXTSR-SCTDSRPQSA-N 387.505 2.793 0 1 GFAF Cc1c(OCC(=O)N[C@@H](C(=O)O)C(C)C)ccc2c1oc(=O)c1ccccc12 6933526 RRXCYEKIPMEZLE-GOSISDBHSA-N 383.400 2.859 0 1 GFAF biogenic COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2CO)cc(OC)c1O 15161118 SGRRPSBKBJVKJE-UTXAPGEGSA-N 388.416 2.633 0 1 GFAF in-vitro COc1cc2c(c3oc(C)cc(=O)c13)[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 15263884 HIHYKIOZPNTJQD-OALUTQOASA-N 390.388 2.817 0 1 GFAF biogenic CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1C(N)=O 26733099 DVTZNPKVFBYNDA-INIZCTEOSA-N 381.476 2.617 0 1 GFAF Cc1ccccc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 29203859 NUILHQJLUZYOEI-UHFFFAOYSA-N 395.434 2.888 0 1 GFAF CN(CCc1ccccc1)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CCCCC2)O1 30878858 ASECAGMAWJCWNQ-FKBYEOEOSA-N 388.552 2.908 0 1 GFAF biogenic O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O 95872247 LRPSJAPNXHWPGP-QGTPRVQTSA-N 398.459 2.555 0 1 GFAF C[C@H](O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 147623212 AHXOZVYYRPXHSG-ZDUSSCGKSA-N 387.457 2.671 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(N(C)CC4CC4)ncn3)C2)cc1 169694409 FRTSOIYYUPWKCD-HNNXBMFYSA-N 395.507 2.788 0 1 GFAF CC[C@@H](Nc1ncnc2nc[nH]c12)c1nn2cccc2c(=O)n1-c1ccccc1 205592064 AWZVQHUXYBJHNH-CQSZACIVSA-N 386.419 2.715 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C4CC4)n3)C2)cc1 261084041 CEWLGYQUFDLEGF-MGPUTAFESA-N 395.507 2.930 0 1 GFAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 586921677 KTUCENKZYVNKTF-UHFFFAOYSA-N 398.532 2.699 0 1 GFAF O=S(=O)(CCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc2c(c1)CCC2 586923122 YWMCUJDIZMBBGV-UHFFFAOYSA-N 384.457 2.839 0 1 GFAF CCOC(=O)[C@@H]1CC[C@]2(CO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617766 QXEFVLRAAZTWRZ-CSODHUTKSA-N 384.384 2.835 0 1 GFAF CN1Cc2c(C3=CCN(S(C)(=O)=O)CC3)[nH]c3nccc(c23)-c2cccnc21 1772625912 GVZOMOLFKFQSGG-UHFFFAOYSA-N 395.488 2.623 0 1 GFAF CNC[C@@H]1C=CN(C(=N)NC)C[C@]12[C@H]1CC[C@H]3CCC[C@H]4CC(C(=O)O)=C(C1)[C@]432 2356391642 WNZYQAQATAVYPE-JGLWEJIBSA-N 398.551 2.793 0 1 GFAF COC(=O)[C@]12CCC(C(C)C)=C[C@@H]1[C@]1(C(=O)OC)CC[C@H](O)[C@@](C)(O)CC[C@@H]21 2356789076 CVPALXWAMDMLNG-WSEGHWGGSA-N 394.508 2.613 0 1 GFAF CCn1cc(C(=O)N2CCn3c(nc4ccccc43)C2)c(=O)c2ccc(C)nc21 4885482 UXKJLFJPDSJGFO-UHFFFAOYSA-N 387.443 2.731 0 3 GFAF CN(Cc1cc[nH]n1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11663951 IQTYFCZCQXOMCJ-CQSZACIVSA-N 394.397 2.826 0 3 GFAF CN(C)CC(C)(C)c1cccc(OC(=O)NCCCCN2CCOCC2)c1 3951304 ZVFOYXYQFFWDEX-UHFFFAOYSA-N 377.529 2.727 0 1 GFAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4053192 WXORIUAHAIUONU-HBFSDRIKSA-N 377.444 2.563 0 1 GFAF C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCS(=O)(=O)Cc2ccccc2F)C1 4710358 HPGDQCWMNPJYEF-IAGOWNOFSA-N 398.544 2.615 0 1 GFAF CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(O)cc2)n2nnnc2N1 4879202 AFLVBFCOCVPOIC-GOSISDBHSA-N 376.420 2.923 0 1 GFAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(SC(C)(C)C)oc23)[C@H](O)C1 13834665 IUCLAKBWNSRBAI-IINYFYTJSA-N 379.478 2.875 0 1 GFAF COc1ccccc1C(=O)NN1CCN(CCc2c[nH]c3ccccc23)CC1 39219486 MWIUEXCXOUZGBQ-UHFFFAOYSA-N 378.476 2.682 0 1 GFAF COc1ccc(CNc2ncnc3c2ncn3[C@H]2CCCO2)c(OC)c1OC 40917847 BCMSVFCARDDWCH-CQSZACIVSA-N 385.424 2.773 0 1 GFAF CNC1CCN(c2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1 73197436 KTUUDVJCWHWFFT-UHFFFAOYSA-N 392.385 2.902 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)c2ccccc2)cc1 95895646 GORVFQJRTXHRGE-MFVDHUHKSA-N 378.472 2.825 0 1 GFAF O=C(O)[C@@H]1CCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144798407 DKYZGTLLMZKLHJ-YJBOKZPZSA-N 377.318 2.764 0 1 GFAF Cc1nc2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2cc1Br 586944629 OSXANRSGCNUWQO-UHFFFAOYSA-N 399.270 2.646 0 1 GFAF CS(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586996303 DLSWAOIRCIMKME-CYBMUJFWSA-N 394.294 2.971 0 1 GFAF COc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1OCC(=O)NC(C)C 587225162 RLFPZYYRRQTYLZ-LJQANCHMSA-N 397.435 2.866 0 1 GFAF COC(=O)c1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1OC 587245923 AZHITXJBOMTIDY-NRFANRHFSA-N 381.432 2.710 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc3c(cc21)OCCO3 587486808 UMODMKLPDXNYHK-NRFANRHFSA-N 381.384 2.929 0 1 GFAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1 587785837 PCGNHYGQWZMCLD-HUUCEWRRSA-N 399.472 2.757 0 1 GFAF Cc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587820137 AEPMWYRIGJNEDM-ADLMAVQZSA-N 380.257 2.985 0 1 GFAF NC1(c2cn(CC(=O)COc3c(F)c(F)cc(F)c3F)nn2)CCCCC1 621431639 SFGBPQUBMKUFGH-UHFFFAOYSA-N 386.349 2.601 0 1 GFAF CCN1C=C(C(=O)O)[C@@]2(NCCc3c(C(=O)O)cccc32)c2ccc(OC)cc21 963121980 MKZNFWYRQKTLGP-QFIPXVFZSA-N 394.427 2.591 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]34C[C@H](CC[C@H]3[C@@]2(C)CC[C@H]1O)[C@@](O)(CO)C4 2356415652 RPLIDLJMEABHAT-BTUXLCJPSA-N 380.525 2.657 0 1 GFAF Cc1cccc(NC(=O)c2nc[nH]c2C(=O)N2CCN(c3ccccc3)CC2)c1 61958690 TZYSNYVSXIURDS-UHFFFAOYSA-N 389.459 2.933 0 3 GFAF CCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2 2459236 PQVRKXYBFPAUQI-UHFFFAOYSA-N 389.315 2.827 0 1 GFAF CCOC(=O)[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2O)CN1CC(C)C 103266266 GQLXXYXQTUIJMS-LPHOPBHVSA-N 384.476 2.937 0 1 GFAF NCCNC(=O)Cn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 26821700 RYYDYZFQLXNWKX-UHFFFAOYSA-O 394.458 2.651 0 1 GFAF COc1ccccc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O 115732416 TWLJHNYNEVVYQS-UHFFFAOYSA-N 395.419 2.514 0 1 GFAF O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2n1cc(-c2ccccc2)nn1 2356816231 CZHVUCNNXCMODU-ZRNYENFQSA-N 398.463 2.711 0 1 GFAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(NCCNC(=O)c1ccc(C)c(F)c1)C2 84619943 VORGPFXKYVZSDW-ALOPSCKCSA-N 377.460 2.605 0 1 GFAF Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCCc3ccccn3)co2)cc1 82070822 OQMDAPATNRUWTI-OAHLLOKOSA-N 379.416 2.949 0 1 GFAF NC1=N[C@@]2(CO1)c1cc(-c3cncc(F)c3)ccc1OC1(CCC1)C21COC1 220714464 VKXZBNSASBAXPO-NRFANRHFSA-N 381.407 2.760 0 1 GFAF c1ccc(CCCN[C@@H]2CO[C@@H]3[C@H]2OC[C@@H]3n2cc(-c3ccccc3)nn2)cc1 25425425 YPIOVOQBBKDBPU-LDVJMBRRSA-N 390.487 2.875 0 1 GFAF biogenic COc1cc(-c2nn(C(C)C)cc2-c2ccnc(NC[C@H](C)O)n2)c(C)nc1N 95563624 NIZDIMWXANDLHU-LBPRGKRZSA-N 397.483 2.675 0 1 GFAF CC[C@@H]1[C@H]2[C@@H]3CC[C@@H]([C@H]4C[C@@H](C)C(=O)O4)N3CCC[C@H]2O[C@@]12C=C(C)C(=O)O2 95884485 UINUUSQOLRQGNF-MDEHQGTHSA-N 389.492 2.805 0 1 GFAF CC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CCC1 95895566 HSESRDNFSLKVBL-RJGXRXQPSA-N 392.499 2.945 0 1 GFAF CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@@H]3C)C2)cc1 96286314 DHUOTSJELWOUBC-DQLDELGASA-N 384.524 2.699 0 1 GFAF COc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c2c1C[C@@H](C(C)(C)O)O2 64633526 QGZBAODZZJPSGQ-KRWDZBQOSA-N 384.384 2.954 0 1 GFAF biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cc(N)ccc3F)[nH]c2c1 587142204 NPNPFIDHJRGYTI-UHFFFAOYSA-N 376.457 2.906 0 1 GFAF NC(=O)C[C@@]1(C(=O)O)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587102971 BZJHYIRSCJVQPG-QHCPKHFHSA-N 386.407 2.980 0 1 GFAF CCn1cc([C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587762204 DQNCKYHWKXQTBK-FVMDXXJSSA-N 382.233 2.667 0 1 GFAF CCOC(=O)/C(=C\N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571827 MNNGLVUXYTYMST-KUEHGGGSSA-N 383.400 2.731 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C)([C@H](CCC(=O)OC)C(=O)OC)CC2=O 587480269 OIMNDZWGDXHDCG-VLIAUNLRSA-N 378.421 2.811 0 1 GFAF O=C(CSCc1nc2cnnc(O)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114386 SBVYISCCUQJZMG-UHFFFAOYSA-N 383.355 2.949 0 1 GFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H]([C@@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 962916286 CRCGUNQMYNXFFV-RYQLBKOJSA-N 379.391 2.856 0 1 GFAF CN1[C@H]2CC[C@@H]1CCN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2 13650308 SZZGPPLXAUEWHX-OCCSQVGLSA-N 385.439 2.847 0 1 GFAF COC(=O)[C@@H]1CCC(=O)N1[C@@H](c1ccccc1)c1cc(OC)c(OC)c(OC)c1 1645069 UWZLSLHQRNSPOI-JXFKEZNVSA-N 399.443 2.966 0 1 GFAF CCNc1cccnc1N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 6385408 PAWLLBZUYYALQK-UHFFFAOYSA-N 378.432 2.582 0 1 GFAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2ccccc2)[C@H]1C5 6745060 JIZIIPYPMGBADK-QLBRKBSLSA-N 391.467 2.970 0 1 GFAF CC(=O)c1c(-c2ccccc2)nn(CC(=O)O)c(=O)c1NCCc1ccccc1 13797664 WLSROAUARCBKKI-UHFFFAOYSA-N 391.427 2.852 0 1 GFAF CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2 82209815 WXDIPORFCLPXJO-GOSISDBHSA-N 391.475 2.536 0 1 GFAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895220 SESYIFBSAZWGOZ-FUPPJEDESA-N 392.499 2.945 0 1 GFAF CCOC(=O)[C@H]1[C@H](C(F)(F)F)[C@@H]2C=CC=NN2[C@H]1C(=O)c1ccc(F)cc1 96914602 VLNDQIHMQTVMRM-BYNSBNAKSA-N 384.329 2.975 0 1 GFAF CC1=C2C[C@H](O)[C@@H]3[C@@H](C)/C(=C/C(=O)OCCN(C)C)CC[C@H]3[C@@]2(C)CC[C@@H]1O 238749501 IACCOBWNMQUOBF-ZJKBVTEVSA-N 391.552 2.922 0 1 GFAF CC[C@@H]1C(=O)OCc2c1c(C(=O)OC)c1n(c2=O)C[C@@H]2Cc3ccccc3C[C@@H]12 253795094 ZBPGREPSDSAIEH-HRCADAONSA-N 393.439 2.698 0 1 GFAF C[C@@H]1O[C@@H]2[C@@H](C)C(=O)O[C@@H]2[C@@H]1[C@@H]1CCCCN2[C@H]([C@H]3C[C@@H](C)C(=O)O3)CC[C@H]12 257496722 NSVYJHREGGWCHW-ULCSZSJTSA-N 391.508 2.536 0 1 GFAF CN1CCN(c2ccc3nc(-c4cccc(-c5cnc(=N)[nH]c5)c4)[nH]c3c2)CC1 587254068 GCNQXSGTHIBOPC-UHFFFAOYSA-N 385.475 2.851 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N2CCOCC2)N1 587768721 VYAQOZCUESCVKP-DIFFPNOSSA-N 385.277 2.587 0 1 GFAF CC(=O)Oc1ccccc1[C@H]1CC(C)=NN1C(=O)CN1CCC(C(C)=O)CC1 653735487 ROKFADGFFFPUEW-LJQANCHMSA-N 385.464 2.562 0 1 GFAF CC[C@]1(C2(C(=O)OC)CC2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962644400 QXOYUKBFDMLUFM-FCHUYYIVSA-N 382.460 2.892 0 1 GFAF Cc1ccnc2c1CCN[C@@]2(C)c1cc(I)ccc1N 963069393 MGYMEEYNWUGFKT-INIZCTEOSA-N 379.245 2.986 0 1 GFAF Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1[C@H](c2ccccc2)C[C@H](O)[C@H]1O 2356536364 SYKDGTAGSPMVHK-ZCLUNYJNSA-N 378.428 2.658 0 1 GFAF CC(=O)OC(C)(C)[C@@H]1Oc2ccc3c(c2[C@H]1OC(=O)C(C)C)OC(=O)CC3 2356756398 BWKHAONALVOTAJ-QZTJIDSGSA-N 376.405 2.881 0 1 GFAF CCC=C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1NC[C@H]42 2356784451 OQWKLIFARYBYDS-FMJUGDCBSA-N 385.460 2.627 0 1 GFAF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4054855 IQMDZIQGDOQBGL-PKOBYXMFSA-N 388.851 2.557 0 1 GFAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(SC(C)(C)C)oc23)[C@H](O)C1 58487259 IUCLAKBWNSRBAI-QMTHXVAHSA-N 379.478 2.875 0 1 GFAF COc1cccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C[C@H](O)[C@@H]2O)c1 2356309611 WCHCCHCBARZTPZ-FJIDUMEYSA-N 395.377 2.722 0 1 GFAF O=C1NCc2c1cc(-c1ccnc(NC3CCCCC3)c1)nc2N1CCNCC1 58569489 ORPHPLREHJAPID-UHFFFAOYSA-N 392.507 2.541 0 1 GFAF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)CC[C@@]1(C)O 2356317631 HJNGIJLMVPSBJG-YPAWHYETSA-N 386.467 2.655 0 1 GFAF CC1CCN(c2nc3ccc(C(=O)NCCN4CCOCC4)cc3s2)CC1 20414994 PUYCCQYXVNYKFX-UHFFFAOYSA-N 388.537 2.595 0 1 GFAF COCCc1cccc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)c1 114079250 VIGDTVWBASSIEN-UHFFFAOYSA-N 393.491 2.644 0 1 GFAF CC[C@H](O)CC[C@]1(CO)[C@H]2CCC3=C4[C@H](CC3)[C@@H](C(=O)OC)C[C@]41CN(C)C2 2356637755 DDDLFHVAWJOBHX-PSZCFUFSSA-N 391.552 2.758 0 1 GFAF COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O 5639616 XMLWGUKRPGLJGA-CABCVRRESA-N 388.416 2.698 0 1 GFAF biogenic,in-vivo CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccc(F)nc4)cc23)CC[C@]1(C)N 215328271 OWNKWOSRGVLIAO-IERDGZPVSA-N 396.470 2.952 0 1 GFAF COc1cc(/C=C2/C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC 38988323 GAPBUDODJXGASP-SMCAMXITSA-N 384.384 2.937 0 1 GFAF COc1cccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)c1OC 141921330 ZIOOKTYEVOTQQZ-CYBMUJFWSA-N 379.416 2.829 0 1 GFAF COC(=O)[C@]12CC[C@@]3(C=CCN4C(=O)C[C@@]5(C1=Nc1c(OC)cccc15)[C@H]43)C2 238765727 HGQBJRIJBYPBDS-RYFAJOAYSA-N 378.428 2.533 0 1 GFAF C=CS(=O)(=O)N1C[C@H](C)N(Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 618020185 CKOWEIRXVIIUSD-BETUJISGSA-N 378.416 2.953 0 1 GFAF O=C(O)Cc1cccc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 299824822 XMIGWECSZMISCA-HNNXBMFYSA-N 379.865 2.803 0 1 GFAF CC1=C[C@]2(CC(=O)N1CC(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 587756697 DZVWSNGSZAMDLN-VVVCHXIZSA-N 397.244 2.538 0 1 GFAF COC(=O)c1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cn1 587133135 YGPZOHIQQQFWQD-VIFPVBQESA-N 382.367 2.714 0 1 GFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 586941211 RKVGGYVPADHLHN-ZHACJKMWSA-N 398.488 2.663 0 1 GFAF C[C@@H](Cn1cc(Br)cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651745 YBLMBBXXAIRCSX-VIFPVBQESA-N 395.644 2.985 0 1 GFAF CCOC(=O)C[C@]1(c2cccnc2)NCCc2cc3cccc(OC)c3nc21 963059007 RQLOZRYCXYPVHV-JOCHJYFZSA-N 377.444 2.981 0 1 GFAF CCOC(=O)c1cnc2n(c1=O)C=CC[C@]21c2c(F)cccc2C[C@H]2CCCN21 963105185 PJKDOYJTNMUTEV-QRQCRPRQSA-N 395.434 2.698 0 1 GFAF COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cc2nonc2C)cc1 11662363 ZVNBDZKLVZEEBQ-GOSISDBHSA-N 395.463 2.945 0 3 GFAF N=C(N)c1ccc(CCCCC(=O)N[C@H](CC(=O)O)Cc2ccccc2)cc1 13741893 IKKGAXSNUUBAFD-IBGZPJMESA-N 381.476 2.886 0 1 GFAF Cc1ncc2c(n1)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2 169711743 ZAXBZHWQTXDADR-UHFFFAOYSA-N 375.411 2.900 0 1 GFAF NC(=O)c1c(F)ccc(OCC2=NN(c3ccc(Cl)cc3)C(=O)C2)c1F 1857609188 ZUTPUMMCXVQPMW-UHFFFAOYSA-N 379.750 2.889 0 1 GFAF CC(=O)Nc1c(C)noc1C=Cc1ccc(S(=O)(=O)N2CCCC2)cc1 1857614121 RNTQCRCIDLOQLA-UHFFFAOYSA-N 375.450 2.896 0 1 GFAF CC(C)c1cc2cccc(C(=O)NCC3[C@H]4CN(CC5CCOCC5)C[C@H]34)n2n1 1857639209 BNLJBDBAFDHHJK-WOJBJXKFSA-N 396.535 2.792 0 1 GFAF COc1ccc(C(=O)c2cn(CCN3CCOCC3)c3cc(O)ccc23)cc1 1857652491 WZLNQPMUFKHYPI-UHFFFAOYSA-N 380.444 2.919 0 1 GFAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H]2[C@H](CC[C@@]2(O)C(C)C)[C@@H](C)C=C(CO)C1 2356415511 NLMJLXOEAUQIAO-ONMCRSCZSA-N 380.525 2.987 0 1 GFAF O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1 117736801 ASOORYLEUXUFFI-INIZCTEOSA-N 395.381 2.614 0 1 GFAF Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)O)C1)N(C)C 27629335 BRXVFOPLSZGHJP-RTWAWAEBSA-N 396.487 2.692 0 1 GFAF O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25434747 VGQXUGMXZBVDJL-KGLIPLIRSA-N 378.457 2.626 0 1 GFAF biogenic Cc1ccc(CNC(=O)Cn2cnc3c(OCc4ccccc4)ncnc32)o1 61947327 NTLVQGGFHMDCRZ-UHFFFAOYSA-N 377.404 2.623 0 3 GFAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNC(=O)Nc2ccccc2)COC1 2356681132 HWBBEQVVVDVNLO-OAHLLOKOSA-N 380.404 2.716 0 1 GFAF Fc1ccccc1-c1cnnc(NC[C@H](c2ccncc2)N2CCOCC2)n1 20501005 GPZTYGUYQMPTAD-LJQANCHMSA-N 380.427 2.558 0 1 GFAF Cn1nc(C(F)(F)F)cc1COc1ccc(S(=O)(=O)N2CCCC2)cc1 28958548 AZBTYJJMHHXCSP-UHFFFAOYSA-N 389.399 2.802 0 1 GFAF NC(=O)c1cccc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)c1 218635564 RTZLJFOUSDWYHQ-UHFFFAOYSA-N 382.439 2.984 0 1 GFAF COc1ccc2nc(Nc3nc4cc(N)cc(OC)c4c(=O)[nH]3)nc(C)c2c1 40404434 JAYCPDUEXZQJOK-UHFFFAOYSA-N 378.392 2.518 0 1 GFAF COc1cc([C@H]2OC(O)(O)[C@@H]3[C@@H](c4ccc(O)c(OC)c4)CC[C@H]23)ccc1O 85648679 WMZWZCHVRDZUQP-RYMBOPBQSA-N 388.416 2.635 0 1 GFAF biogenic,in-vitro COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCCO4)c1 40943098 REEDUWHSZNKIBU-IBGZPJMESA-N 381.384 2.843 0 1 GFAF CCNC[C@@](O)(CCCCCCCCC[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O 85488288 BBHSCULAZJXZJF-QEUVDIPISA-N 386.577 2.814 0 1 GFAF biogenic,in-vitro CCOC(=O)C1=C(C)N=C(SCCC(=O)O)N[C@H]1c1ccccc1OC 98084778 JYPKSMDSADPSKN-INIZCTEOSA-N 378.450 2.741 0 1 GFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 95894053 BZFBZZPYDSRKLN-AQNXPRMDSA-N 397.450 2.733 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)C2CC2)cc1 95895082 MWNWFHGTSYEWEH-ORIMYKCESA-N 382.504 2.653 0 1 GFAF CCOC(=O)COc1cc(N2C(=O)[C@@H]3CCCC[C@H]3[C@H]2O)c(F)cc1Cl 299846724 ZZZSTYODQFTTEL-CZIZLABSSA-N 385.819 2.892 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3C[C@H](C(=O)O)CC3=O)c1)O2 587395826 OQBGPYRSCYWTKH-MCMMXHMISA-N 394.427 2.895 0 1 GFAF CN(C)C(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587164595 XGWSBKSRGRSZCC-UHFFFAOYSA-N 393.422 2.682 0 1 GFAF Cc1nc(N(C)C)ncc1-c1nc2cccc(I)c2[nH]1 587194291 BUXRAWNYIZTPEV-UHFFFAOYSA-N 379.205 2.999 0 1 GFAF COC(=O)c1cc(OC)cc(OC)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444829 VGXWIFLZTDTREM-JLTOFOAXSA-N 384.384 2.988 0 1 GFAF COC(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1 587197697 SUBVODOECDGJAE-GFCCVEGCSA-N 390.440 2.661 0 1 GFAF CC(=O)c1ccc2c(c1)[C@](C)([C@H](C)CO)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962622625 CSVCZJKGTFCELN-CNBXIYLPSA-N 391.464 2.979 0 1 GFAF Cc1ccnc2c1CCN[C@@H]2c1ccccc1OCCCN1CCN(C)CC1 963073178 PGGAUCNQTFJVNC-HSZRJFAPSA-N 380.536 2.641 0 1 GFAF COc1cccc2cc3c(nc12)[C@@H](c1ccc(O[C@@H](C)C(N)=O)cc1)NCC3 963051665 DRSNXVXFMKQGPL-RNODOKPDSA-N 377.444 2.731 0 1 GFAF O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1Cc1ccccc1 13475110 MRCLOFVOQWMJPM-UHFFFAOYSA-N 382.423 2.908 0 1 GFAF COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc2c1OCO2 14646742 GDOAQHHMFNQXLJ-HUUCEWRRSA-N 384.384 2.727 0 1 GFAF endogenous,in-man COc1cc2c(cc1OC)CN(c1ncnn3c(C)nc([C@@H]4CCCO4)c13)CC2 169711709 DDOYQBCXQYGEBZ-INIZCTEOSA-N 395.463 2.864 0 1 GFAF Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H](C)CO 205605252 AXPGGYIFSXBJGD-LLVKDONJSA-N 375.375 2.611 0 1 GFAF CC[C@H](C)CN1Cc2cc3c(cc2[C@@]24C=C[C@@H](OC)C[C@@H]2N(C)C(=O)[C@@H]14)OCO3 1857579425 BKJRMJJJSMRLOG-OVZAXNLWSA-N 398.503 2.699 0 1 GFAF CN(C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccccc1)c1ccccc1 2356297908 ACHDRDKJHOBRLK-ZVDOUQERSA-N 399.560 2.812 0 1 GFAF COCN1[C@H](c2ccc(OC)cc2)CS(=O)(=O)C[C@H]1c1ccc(OC)cc1 103277481 VYWAQQNCOPHYRW-PMACEKPBSA-N 391.489 2.821 0 1 GFAF Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC3CCCC3)c2c1=O 115624429 KZLLPZHJQMACPX-UHFFFAOYSA-N 379.464 2.972 0 1 GFAF COc1cc(OC)c(C(=O)[C@@H](O)c2c(OC)cc(OC)cc2OC)c(OC)c1 2356441155 HTPFKNVMRYAHSQ-IBGZPJMESA-N 392.404 2.655 0 1 GFAF COC(=O)CCCCCC/C=C1\C[C@](CO)(COC(=O)C(C)(C)C)OC1=O 45364946 GHZBPZPKBOOXNX-XIJQHFHMSA-N 384.469 2.694 0 1 GFAF CO[C@H]1[C@H]2[C@H](O)O[C@@H]1[C@]1(C)CC[C@@]3(C(=O)O)CCC(C(C)C)=C3[C@H]1C[C@H]2OC 85645859 SJRSXOFCFKORFT-YBYYXPLOSA-N 394.508 2.987 0 1 GFAF COc1ccnc(/N=c2\cc(N3CC[C@@H](N(C)C)C3)nc(-c3ccccc3)[nH]2)c1 84617825 DKYJSXUQQLLXBR-QGZVFWFLSA-N 390.491 2.853 0 1 GFAF O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1 95565575 AXQZZNUTSSFRSV-UHFFFAOYSA-N 375.219 2.698 0 1 GFAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1cnn(C)c1 261168670 SMJHWPFFJQTBEK-KRWDZBQOSA-N 394.431 2.745 0 1 GFAF O=c1n(Cc2nc3ccc(F)cn3c2CCCCO)c2cnccc2n1C1CC1 299851735 JDEYEMHINCJXOX-UHFFFAOYSA-N 395.438 2.683 0 1 GFAF Cn1nc(C2CC2)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275970 ICEAEUPRJVHCGT-UHFFFAOYSA-N 376.210 2.925 0 1 GFAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587451608 INGIELOKRZDTLH-OYHNWAKOSA-N 396.395 2.974 0 1 GFAF O=C(O)c1cc(F)cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587127200 OHBQTDJHISLGEO-UHFFFAOYSA-N 389.286 2.756 0 1 GFAF O=S(=O)(c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1)C(F)(F)F 586970378 YSHAREKXRPTGQQ-UHFFFAOYSA-N 389.380 2.782 0 1 GFAF CC1=C(c2ccc3nc(CSc4ncccc4C(=O)O)[nH]c3c2)NNC(=O)C1 586968408 OAIFNPZYCRYQPL-UHFFFAOYSA-N 395.444 2.704 0 1 GFAF Cc1cccc2c1[C@]1(N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)C(=O)N2 962628744 HNLBHJDYBJHWRY-KPZWWZAWSA-N 392.333 2.688 0 1 GFAF CS(=O)(=O)c1ccc([C@H]2NCCc3ccc(O)cc32)cc1Br 963341106 KIMZPQSLNYDMAP-MRXNPFEDSA-N 382.279 2.793 0 1 GFAF Nc1nnc(CC[C@]2(c3ccccc3)NCCc3nc4ccccn4c32)s1 962991978 WGWZSQVRXAGVID-HXUWFJFHSA-N 376.489 2.790 0 1 GFAF CC(=O)c1ccc2c(c1)[C@@](C)([C@@H](C)CO)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962622635 CSVCZJKGTFCELN-ODLKPZKQSA-N 391.464 2.979 0 1 GFAF CCC(C)(C)NC[C@@H](O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1 1772620603 SYWTZCLVKUGBKA-MRXNPFEDSA-N 381.473 2.619 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@@H]3CC[S@](=O)C3)c2cn1)c1ccccc1 1772572086 KVALHTUUDPPBEP-YRQPMEPRSA-N 398.492 2.774 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@H](C)C3)c(Cl)c21 13649604 ZOLXCVRUMPNKLP-AOOOYVTPSA-N 381.835 2.699 0 1 GFAF Cc1nc([C@H]2CCCO2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12 169711677 JXGSWYKUIJTHLW-MRXNPFEDSA-N 381.484 2.704 0 1 GFAF C[C@@H](Nc1nccc(Cl)c1N)c1ccc(-c2n[nH]c(S(C)(=O)=O)n2)cc1 1857637682 ZCKRZMYQOQZSOU-SECBINFHSA-N 392.872 2.679 0 1 GFAF Cc1ccccc1-n1cc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)nn1 1857648769 LRDKCNKYZHGOJO-UHFFFAOYSA-N 383.415 2.520 0 1 GFAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc(-c2ccccc2)cs1 1857752301 HUTJQXOETVAGRZ-HNNXBMFYSA-N 384.461 2.757 0 1 GFAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(C)nc3n2)cc1CO 205171122 UGJRAKREIVRFDR-ZDUSSCGKSA-N 380.448 2.726 0 1 GFAF O=C(Nc1ccnn1C1CCN(C(=O)C2CCCCCC2)CC1)[C@H]1CCOC1 11843698 YGIHEGPHLKTBTD-KRWDZBQOSA-N 388.512 2.992 0 1 GFAF CC[C@H](C)CC(=O)N1CCC([C@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 12195443 LLTKHVNWFVOTAA-AOMKIAJQSA-N 385.508 2.872 0 1 GFAF CN1CCN(c2cccc3nc(CN(C)[C@@H]4CCCc5cccnc54)cn23)CC1 45316484 FRHRAPSVOIMXJY-HXUWFJFHSA-N 390.535 2.991 0 1 GFAF Cc1c(C[C@@H](C)C(=O)Nc2ccccc2C(=O)O)cnn1-c1ccc(O)cn1 49037529 XNVDEFZPGYQNLQ-GFCCVEGCSA-N 380.404 2.797 0 1 GFAF N#Cc1c(N)nc2c(c1N)[C@H](C(C#N)C#N)c1cc(Br)ccc1O2 53277592 XBAMXTUCZDDBAM-GFCCVEGCSA-N 381.193 2.781 0 1 GFAF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC[C@H](O)C2)cc1 84616731 QUCFBBLJJJLZIR-HNNXBMFYSA-N 383.473 2.732 0 1 GFAF CCCNC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O 95894866 BRJDXNPJZHGCOW-PCCBWWKXSA-N 385.508 2.638 0 1 GFAF O=C(NCc1cncc(F)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 96271361 CUVJNVXLKSFEEP-UHFFFAOYSA-N 392.456 2.717 0 1 GFAF O=C(c1ncccc1OCCF)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 96273565 OJZJJTRELXNKFW-WOJBJXKFSA-N 398.478 2.853 0 1 GFAF CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2C(C)(C)C)CC1 96938562 WKRPTKWGLAISLF-UHFFFAOYSA-N 391.510 2.785 0 1 GFAF COC(=O)[C@@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 104182483 WMTBKKBQNKWDRP-IDVKNYFZSA-N 396.418 2.516 0 1 GFAF CC[C@H]1C[C@H]2CN3CC[C@]4(O)C(=Nc5ccc(OC)cc54)[C@](C(=O)OC)(C2)[C@H]13 139828534 AVRFPRAAVSCSSZ-RCJJNBIHSA-N 384.476 2.652 0 1 GFAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(Br)ccnc2[nH]1 587224976 LOHIPEICTDARKM-SNVBAGLBSA-N 375.226 2.804 0 1 GFAF C=CN1CC[C@@H]([C@@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587438846 ROPPFRBAGWBODQ-XCGNWRKASA-N 376.412 2.725 0 1 GFAF CCOC(=O)c1cc(C(=O)OCC)n(-c2c(C)[nH]c3c(C(=O)O)cccc23)n1 587639543 ZEQORVUQOYBXCT-UHFFFAOYSA-N 385.376 2.714 0 1 GFAF Cc1ccc(S(=O)(=O)n2cccc2[C@H]2NCCc3c(C(=O)O)cccc32)cc1 963118565 GBNDVXGONNLYIE-FQEVSTJZSA-N 396.468 2.967 0 1 GFAF CC[C@@H]1CN2CC[C@]3(Nc4ccccc4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 1857554376 ZGFZEUQTWZGDLW-GHINOQSISA-N 384.476 2.857 0 1 GFAF CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)C 1857751034 HPUKBGYQQFKRJY-UHFFFAOYSA-N 378.429 2.698 0 1 GFAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCOCCO)cc1 2480971 OBVRRIVTJAVFBA-UHFFFAOYSA-N 388.445 2.817 0 1 GFAF CNCCN[C@@H]1CC[C@@]23C[C@@]4(CCC[C@H]14)[C@@H]2[C@H](O)C[C@@]1(C)CCC[C@@]3(O)C1 2356351743 FHKHPLRWVFJOBM-ZMWZYPFESA-N 376.585 2.827 0 1 GFAF O=C(C1CCOCC1)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55098956 DSXIQPZJUZYTMW-HXUWFJFHSA-N 391.943 2.880 0 3 GFAF NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccc(O)c2)cc1O 58583718 AZWYITDDZJFJGD-LJQANCHMSA-N 376.412 2.591 0 1 GFAF CN(C)Cc1cccc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)c1 23368380 GXMORZVMFHWTNT-PKTZIBPZSA-N 379.548 2.917 0 1 GFAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccccc3)N(CC)[C@@H]21 100112657 GVRBJUCSTJPTET-UGGXMCRNSA-N 393.487 2.504 0 1 GFAF COc1cc(C2=NN(C(N)=S)[C@@H](c3ccccc3)C2)ccc1OCC(=O)O 28713509 BBGKFSGYESCPOE-OAHLLOKOSA-N 385.445 2.553 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cnc(Br)c3)c(F)c21 26267340 TZHQDEYVQSKWQD-UHFFFAOYSA-N 398.163 2.946 0 1 GFAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C[C@@H]2OC(=O)[C@]4(C)CCC[C@]3(C)[C@@H]24)C(=O)O1 2356588271 NTKKRFQRYGKWKB-HYIHCZSYSA-N 378.465 2.972 0 1 GFAF CN(CCc1ccccn1)CC[C@H]1CN(C(=O)c2ccco2)CC[C@@H]1CC(=O)O 2356654031 VFRYVLCZPPOAOB-MSOLQXFVSA-N 399.491 2.792 0 1 GFAF Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1 117355217 CJNLSQVARWMQSJ-UHFFFAOYSA-N 377.488 2.962 0 1 GFAF Cc1cc(OCC(=O)NCC2CCC(C(=O)O)CC2)c2c(C)cc(=O)oc2c1 2126081 WKVKJOYONAXNFU-UHFFFAOYSA-N 387.432 2.796 0 3 GFAF biogenic COc1ccc(-c2nc3ccccn3c2NCCN2CCOCC2)c(OC)c1 1911579516 JVMPPERHOFIKLN-UHFFFAOYSA-N 382.464 2.763 0 1 GFAF CN1CCC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)CC1 45352744 UNLDXNGUOQSKBC-UHFFFAOYSA-N 395.438 2.544 0 1 GFAF NC(=O)[C@H]1CCCN(C(=O)CO[C@H](c2ccccc2)c2cccnc2Cl)C1 45324666 BVBNHRUSXRBXKO-MAUKXSAKSA-N 387.867 2.565 0 1 GFAF COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1 42921797 VKUBNZAXDYKMDG-UHFFFAOYSA-N 381.407 2.929 0 1 GFAF CCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1 45261899 BSHVIZOMKDIGSF-UHFFFAOYSA-N 393.432 2.997 0 1 GFAF CC(=O)OC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 238755957 RPLIDLJMEABHAT-OLQSOZGJSA-N 380.525 2.657 0 1 GFAF CN1C[C@@H](c2cn(C)cn2)[C@H]([C@H](C(=O)Oc2ccccc2)c2ccccc2)C1=O 238735220 XYZPRKPYRIPTFB-CEWLAPEOSA-N 389.455 2.981 0 1 GFAF Cn1nc(CC(=O)Nc2cc(-c3ccc(F)cc3)on2)c2ccccc2c1=O 96930076 PCIWPXFJJQMUFN-UHFFFAOYSA-N 378.363 2.909 0 1 GFAF C[C@@H]1C[C@H]1COc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]ccc12 146456335 BYLLNEGCIQBVEM-OLZOCXBDSA-N 386.473 2.972 0 1 GFAF CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C)C(=O)c1cc(OC)ccc12 95570730 KSYZARWJIGTTGN-KNQAVFIVSA-N 381.428 2.888 0 3 GFAF CCCCCC(=O)O[C@@H]1C=C2C(=O)OC[C@]2(O)[C@]2(C)CC[C@H](O)C(C)(C)[C@H]12 607857393 CCTUVGJRXQPMOJ-VSRNGJBKSA-N 380.481 2.510 0 1 GFAF biogenic CCOC(=O)[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587767873 ZCBUYLVEQABSHO-QGHHPUGFSA-N 396.260 2.663 0 1 GFAF N=c1nc(O)c2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2[nH]1 587138410 HRVASVUNQNTEKZ-UHFFFAOYSA-N 383.314 2.781 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177563 NGJNKFJCTAVQKY-UHFFFAOYSA-N 389.456 2.615 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4nc(Cl)c[nH]c-4n3)cc12 587037607 KOHCUXBXXRDXFD-ZETCQYMHSA-N 375.845 2.706 0 1 GFAF O=S(=O)(NCCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Cl)nc1 586942834 POGVYVOSRJNBAQ-UHFFFAOYSA-N 389.239 2.925 0 1 GFAF CN1CCc2cnn(C)c2[C@@H]1c1ccc(OCCNC(=O)OC(C)(C)C)cc1 963954173 HBKMLPQGNRPJMR-SFHVURJKSA-N 386.496 2.901 0 1 GFAF Cc1c(O)ccc2c1[C@](CCC(=O)O)(c1cccc(F)c1F)N[C@H](C(=O)O)C2 963548555 GWWQYJCWQPRACW-XOBRGWDASA-N 391.370 2.686 0 1 GFAF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@@H](C(=O)O)[C@@]2(Cl)C(=O)O 17215178 CBODUWBNIBXAQZ-WOUAJJJCSA-N 386.787 2.986 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1 168711179 XOHZZDFJOIMTMY-VMCMIOBHSA-N 378.350 2.627 0 1 GFAF Cc1nc(-c2cn3c(n2)-c2ccc(OC4(C)CNC4)cc2OCC3)n(C(C)C)n1 204420820 FPDWGYGSHHHMBB-UHFFFAOYSA-N 394.479 2.831 0 1 GFAF CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc(C(=O)O)[nH]2)c1 1857642386 MPDMJMVKJYKNJR-UHFFFAOYSA-N 378.816 2.676 0 1 GFAF O=C(O)CSc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(F)cc1 4168700 GSEHETBVXPOKBY-UHFFFAOYSA-N 396.403 2.887 0 1 GFAF CCNc1ncc2nc(CCc3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1 4239179 AJGYXMZHCDLQBQ-MRXNPFEDSA-N 379.464 2.583 0 1 GFAF C[C@@H](CN(C)C)C(=O)c1ccc(OS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13741941 SZUHJWJQFZTBMP-ZDUSSCGKSA-N 391.445 2.533 0 1 GFAF NC(=O)c1nnn(Cc2ccc(C(=O)c3c(Cl)cccc3Cl)cc2)c1N 26721555 WAUOJXWDROTZNF-UHFFFAOYSA-N 390.230 2.545 0 1 GFAF COc1ccc(CCNC[C@@H](O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC 28018660 BEZXHPWSRAUJBW-GOSISDBHSA-N 397.475 2.666 0 1 GFAF CCCCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 28647644 KQMTUKOCYPBVGE-UHFFFAOYSA-N 382.902 2.874 0 1 GFAF NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(N)=O)c3)c[nH]1)C(=O)N2 28708329 NXUWGUQHCIIYBD-MFOYZWKCSA-N 387.399 2.764 0 1 GFAF CN(C)CCOc1ccc(CCNC(=O)c2cccn2C)cc1Br 43015666 ONUPHPMAXVNABU-UHFFFAOYSA-N 394.313 2.701 0 1 GFAF CCc1cnc(N2CCN(Cc3cc(O)ccc3Br)CC2)nc1 66075960 QKMFYRHRVWMQKT-UHFFFAOYSA-N 377.286 2.829 0 1 GFAF CCOc1ccccc1-c1nc(C(=O)NCC(=O)NCc2ccco2)cs1 82072039 PNGLSDTTYZMYFJ-UHFFFAOYSA-N 385.445 2.848 0 1 GFAF O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 82209452 LMVAXTBGGCCAMZ-QGZVFWFLSA-N 394.500 2.957 0 1 GFAF CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1OC 95794517 KCKOBOCEMLFEQB-KNQAVFIVSA-N 380.488 2.647 0 1 GFAF CSc1ccc2c(c1)c(O)c(S(=O)(=O)Cc1ccccc1)c(=O)n2C 101345077 SNBDCXRUDGRCCT-UHFFFAOYSA-N 375.471 2.940 0 1 GFAF Cn1c(-c2cn(CC(=O)O)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1 103258480 LEJCWBHWMGCZAT-UHFFFAOYSA-N 378.367 2.631 0 1 GFAF CNC(=O)CNc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1 142592090 OUOMRDFHIZGNJA-UHFFFAOYSA-N 382.399 2.966 0 1 GFAF O=C1N=C(N2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)O[C@H]1c1ccccc1 169346478 GHOZSSKWDJVMST-ZBWUASRJSA-N 393.418 2.637 0 1 GFAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(N)=O)CC3)cc12 226102372 HIRDTWFIJMZJPT-UHFFFAOYSA-N 380.423 2.952 0 1 GFAF COC(=O)c1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2c(F)c1Nc1ccccc1 586892685 VDKIYUAIBBLZGC-LLVKDONJSA-N 387.367 2.610 0 1 GFAF CCc1ccc2nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c2c1 586938875 ZBEGINSVQDZORZ-KZULUSFZSA-N 389.477 2.534 0 1 GFAF CC(C)(C)OC(=O)N(Cc1nc2c(S)nc(S)nc2[nH]1)C[C@H]1CCCO1 587197059 HQBIRMSLPWTXKA-SECBINFHSA-N 397.526 2.846 0 1 GFAF O=C(N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)O)OCc1ccccc1 587203000 MHIVOBRXZQBOSP-NSHDSACASA-N 392.774 2.673 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC(=O)N(C)C)CC2)N1 587767077 IKBMDMHQJGPRGE-GFCCVEGCSA-N 398.320 2.502 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(-n2cnnn2)cc1 587872610 OGHDLQCOCHMQFD-UHFFFAOYSA-N 392.394 2.947 0 1 GFAF COC(=O)[C@]1(C)CCC[C@@H]2[C@H]1C[C@@H]1OC(=O)[C@]23C[C@@H](c2ccoc2)OC(=O)[C@H]13 685935943 ZGRXZVQQLDOVAT-OBLRMQJZSA-N 388.416 2.795 0 1 GFAF biogenic,in-vitro COC(=O)C1=C(OC)C(=O)O[C@H]1c1c(Cl)c2cc(C)cc(C)c2oc1=O 1911570807 WZUIYFNHIWIOJI-AWEZNQCLSA-N 378.764 2.735 0 1 GFAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356583047 HKRMRITZYIPSSH-LUQLKBKISA-N 378.509 2.877 0 1 GFAF COCCN[C]1C=C(c2noc([C@H]3CCCN3Cc3ccccc3)n2)C=CN1 2356851556 YPSWWXLJUJCCEM-GOSISDBHSA-N 380.472 2.632 0 1 GFAF CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(Cl)cc2)c1=O 25225037 MCUCCIPNXPNTRZ-ZBFHGGJFSA-N 385.895 2.676 0 1 GFAF biogenic COC(=O)[C@@H](Cc1ccc(OCCOc2ccc3c(c2)CCCC3)cc1)C(N)=O 27105581 FQUBVABZMJBUTA-NRFANRHFSA-N 397.471 2.840 0 1 GFAF C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2C(=O)O1 34997275 SXHXNWAJMDYKPB-DIFFPNOSSA-N 387.819 2.867 0 1 GFAF Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccccc4)nc23)n1 49112423 MTMOVZKSTQOGHY-UHFFFAOYSA-N 383.415 2.859 0 1 GFAF COc1ccccc1C(=O)NC[C@]1(N2CCN(C)CC2)CCc2ccccc2C1 72179739 DXJDRYFGOJIXGT-DEOSSOPVSA-N 393.531 2.600 0 1 GFAF OC1(c2ccc(F)cc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 95602276 LXBUVEXDYQSGGZ-UHFFFAOYSA-N 381.333 2.770 0 1 GFAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCCC1 95667247 LPSLPEVHRUOOFG-WOJBJXKFSA-N 399.535 2.728 0 1 GFAF CC(=O)N1[C@H](CNC(=O)C2CC2)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO 95895999 JPCTYBULYRPUFB-FSSWDIPSSA-N 378.472 2.555 0 1 GFAF CC(C)Oc1ccccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O 147928135 UQMUMQWNKWOKTG-VAWYXSNFSA-N 396.490 2.534 0 1 GFAF O=c1n(CCCCN2CCN(c3cccc(Cl)c3)CC2)c(O)c2n1CCC2 169714865 RHDBPRGCLWGKRU-UHFFFAOYSA-N 390.915 2.557 0 1 GFAF COCCCn1ccc2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21 204328955 DNCHEXVLVFYYGR-IIBYNOLFSA-N 385.508 2.718 0 1 GFAF COc1ccc(S(=O)(=O)Cc2nc3cc(Br)ncc3[nH]2)cc1 586919967 AYOSBGQITVFVBB-UHFFFAOYSA-N 382.239 2.703 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(C)nccc2[nH]1 586945031 BQBWCJNGQJKAQQ-AWEZNQCLSA-N 386.477 2.699 0 1 GFAF N=c1[nH]c2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc-2c(Cl)[nH]1 587167661 PQDWMZARMAMCOJ-JTQLQIEISA-N 375.795 2.879 0 1 GFAF CCCCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2c(C(=O)O)cccc12 587638818 VRZSCCGENFDCCI-INIZCTEOSA-N 386.448 2.963 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nnnn3c2)N1 587799399 YXZZBTIQQSORMT-XXFAHNHDSA-N 376.233 2.824 0 1 GFAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)C(C)(C)C1 618017540 NBYSGZBOIMINLV-UHFFFAOYSA-N 378.416 2.955 0 1 GFAF Cc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)c3cnc(CN)s3)c2)cn1 1857579122 BBNLOKMEQFBBPE-UHFFFAOYSA-N 389.458 2.503 0 1 GFAF O[C@@H]1CC[C@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1cccnc1 2356407213 SMIWJKGOKVPEJR-KCZVDYSFSA-N 379.460 2.977 0 1 GFAF CCN(CC)C(=O)[C@@H]1CCC[C@H](NCc2ccc(OC)cc2)CN(C)C(=O)C1 2356529085 SOOVWFBYKIYBLN-MOPGFXCFSA-N 389.540 2.670 0 1 GFAF O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCc2ccccc21 4327559 VGRLZHXBDCATSV-UHFFFAOYSA-N 388.456 2.868 0 3 GFAF CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(S(=O)(=O)c2ccccc2)CC1 11759763 KPQWVSNOZMHKEV-KRWDZBQOSA-N 395.521 2.980 0 3 GFAF Cc1ccccc1[C@H]1CC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 101647739 RLHNUSLYPODRJE-GOSISDBHSA-N 381.451 2.756 0 1 GFAF CCN1CCN([C@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccccc2)CC1 22585462 RHSZNJXCMDXTCO-APWZRJJASA-N 393.578 2.794 0 3 GFAF O=C(Nc1cccc(-c2c[nH]cn2)c1)c1ccc2nc3n(c2c1)CCCNC3=O 117701764 SUWROSUZAZIMBS-UHFFFAOYSA-N 386.415 2.812 0 1 GFAF COc1cc(/C=C/C(=O)NCCc2ccc(OC(C)=O)cc2)ccc1OC(C)=O 34360813 TWZYHKRHASAOIY-YRNVUSSQSA-N 397.427 2.918 0 1 GFAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCN3CCOCC3)cc(O)c12 40974320 DGILMNYQUCQOQW-UHFFFAOYSA-N 397.427 2.972 0 1 GFAF COc1cc2c(c(OC)c1OC)CCN(C=O)[C@@H]2Cc1ccc2c(c1)OCO2 40563707 CXJOYUPLLDDHEP-MRXNPFEDSA-N 385.416 2.739 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 95793944 WLXKYRYHXSMASN-UYAOXDASSA-N 397.450 2.809 0 1 GFAF O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(CCC3CC3)ccc1-2 142968282 CGLMQSKTQZSXCH-SFHVURJKSA-N 382.460 2.603 0 1 GFAF CN1CCC[C@@H](Oc2ccnc(-c3c[nH]c4ccc(-c5nnc(N)o5)cc34)n2)C1 145440727 KOEBLNVZIKWEAL-CYBMUJFWSA-N 391.435 2.730 0 1 GFAF CC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O 95895386 HLWYRRZQOIEKTJ-BHDDXSALSA-N 384.451 2.646 0 1 GFAF CCOC(=O)c1c[nH]nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592305 XYQIFMCQSXHRNF-BEFAXECRSA-N 380.356 2.995 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)[C@@H](C(=O)O)[C@@H](C(=O)O)C1 587491367 UNAPKHOJESFBBA-KBJXQUFJSA-N 376.405 2.880 0 1 GFAF CN1C(=O)C[C@H]2CN[C@](CC(=O)CCCO)(c3ccccc3)c3cccc1c32 963037558 VPIZTXMQZZBSQY-QMHKHESXSA-N 378.472 2.715 0 1 GFAF O=S1(=O)[C@H](F)CCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 148530104 VJTPPACOCPLBBX-KUHUBIRLSA-N 376.453 2.877 0 1 GFAF CC(C)CCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 169364485 LJJDMVUTPBDCCC-OOSNJVJTSA-N 388.895 2.784 0 1 GFAF CCOc1cc([C@H]2[C@H]3C(=O)CCCC3=Nc3nc(C(=O)OC)nn32)ccc1OC 169691345 CCCOBMJSQRJWQA-SJORKVTESA-N 398.419 2.517 0 1 GFAF CCOC(=O)N[C@@H](n1cnc2c(N)nc(Cl)nc21)C(Cl)(Cl)Cl 1857534737 NIFUAKISQCNUPE-ZETCQYMHSA-N 388.042 2.677 0 1 GFAF Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C(N)=O)n3c2)n1 1857556344 IRFYJXPFDRTUSQ-UHFFFAOYSA-N 382.374 2.932 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C=C2CC[C@@H]1[C@](C)(C(=O)O)[C@H](O)CC[C@@]13C 2356323920 FRMDUQCTSZKXQF-DPZYUTSNSA-N 392.492 2.669 0 1 GFAF Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3[C@H](C)CCC[C@H]3C)n2)cc1 2965296 RKUFECPMGRMQOW-QZTJIDSGSA-N 382.508 2.598 0 3 GFAF C[C@@H](NS(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1)c1ccccc1 6733201 FHMGPCUNAOPUDZ-GFCCVEGCSA-N 383.429 2.719 0 1 GFAF CO[C@@H]1[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C/SC)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@]12O3 100774362 ULNGGZOBSDELFB-WOHKQUGYSA-N 396.505 2.904 0 1 GFAF endogenous,in-man C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2OC)cc1 100101710 APOPLBIQOXCTTH-RJKWUIIFSA-N 384.501 2.857 0 1 GFAF CC(=CC=C[C@@H](C)CCCC(C)C)C(=O)NC(=N)NCCCCNC(=N)N 2356794093 HSTNRTWBUMDDSE-INIZCTEOSA-N 378.565 2.855 0 1 GFAF O=C(N[C@H](C(=O)O)c1ccc(O)c(I)c1)c1ccccc1 40584761 ZCOKDAVPWYFQAD-ZDUSSCGKSA-N 397.168 2.553 0 1 GFAF NS(=O)(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 96310710 WTSCLWNVCQRQHL-UHFFFAOYSA-N 396.516 2.517 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587836159 RYCBLAIREJOCAA-YOIRWDDOSA-N 386.261 2.917 0 1 GFAF CCOC(=O)[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582776 QXZPWPJXQZKNPX-DYESRHJHSA-N 394.383 2.546 0 1 GFAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(=O)O)cc2[nH]1 587181982 JVRYXSBWMPFGRZ-MRVPVSSYSA-N 396.188 2.980 0 1 GFAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)cc(F)c2[nH]1 587203572 LRZWYOCIXYWWCN-NSHDSACASA-N 385.237 2.543 0 1 GFAF Nc1ccccc1[C@]1(C[C@@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587510251 KDHVGUWOCXYNJT-GCJKJVERSA-N 380.444 2.810 0 1 GFAF Cn1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580024 GUFNFEHLEUZFCU-RXVVDRJESA-N 394.383 2.848 0 1 GFAF COc1ccc2c(c1)NC(=O)CN2c1nc(NCCCO)nc2ccccc12 1772586456 ZMZVZKVMBHYJMD-UHFFFAOYSA-N 379.420 2.523 0 1 GFAF COC[C@H](NC(=O)Nc1cc2[nH]nc(N[C@@H]3CCOC3)c2cn1)c1ccccc1 1772574750 RUMKJXOZRUTZDG-PBHICJAKSA-N 396.451 2.668 0 1 GFAF NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1 15270352 LLIOXDFZHJSTMG-XCVCLJGOSA-N 386.351 2.885 0 1 GFAF CCc1c(C)cc2c(O)c3c(c(O)c2c1O)O[C@@](C)(C(=O)OC)C(=O)C3(C)C 169720410 WRXRPPCZMTZCGY-OAQYLSRUSA-N 388.416 2.998 0 1 GFAF Cc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCOCC4)nc3)o2)c1 38267735 OGZIZBLZLLIMTJ-UHFFFAOYSA-N 380.408 2.606 0 1 GFAF CSc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(C)(=O)=O)c1 2466162 YRPSWYHYKQPESR-QGZVFWFLSA-N 376.503 2.734 0 1 GFAF O=C(N[C@@H]1CN2CCC1CC2)c1cc(Br)cc2c1OCCCC2 3800284 UZUSAXZXAIKATJ-MRXNPFEDSA-N 379.298 2.988 0 1 GFAF CC(C)NC(=O)N1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 4238029 RBEZGNBVGQIMRW-UHFFFAOYSA-N 379.526 2.671 0 1 GFAF COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)CCSC)C1)CC2 12315964 DMGCIYUGINHPDI-KRWDZBQOSA-N 378.538 2.806 0 1 GFAF C[C@@H](N[C@H](c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1 13440518 FBOPVIWMYMFESR-QGHHPUGFSA-N 375.321 2.568 0 1 GFAF COc1cccc(O)c1[C@@H]1CC(=O)c2c(O)c(OC)c(OC)c(OC)c2O1 14436314 HFSWKRNFAVJHID-LBPRGKRZSA-N 376.361 2.839 0 1 GFAF biogenic CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](C(=O)NCCO)CC[C@H]4[C@H]3CC[C@@H]12 34801353 RYYSYRHPOPBMEU-KPICWTFHSA-N 376.541 2.575 0 1 GFAF Nc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@H]4O)cc2)cn1 49115669 IUBBNLSAUVQIOG-GOSISDBHSA-N 391.427 2.609 0 1 GFAF Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)NCc3ccccc3N)co2)cc1 82070470 WHCASSAMTMGOFO-AWEZNQCLSA-N 378.432 2.667 0 1 GFAF O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1ccncc1 95895907 XOPCKECUHROKNF-FKBYEOEOSA-N 379.504 2.831 0 1 GFAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)c(Br)c1 101501972 WOSCYVQMBIRTRF-MNWMYKRDSA-N 394.229 2.946 0 1 GFAF aggregator COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1nc[nH]n1 143215390 QSAAEGUCXDIOQL-UHFFFAOYSA-N 380.339 2.940 0 1 GFAF COc1ccc(OCCN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)cc1 205942253 HXJGPTHZZPIRKV-KRWDZBQOSA-N 384.476 2.929 0 1 GFAF CN1[C@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339914 QZCHWLZGWQDCSQ-GSEWOFDTSA-N 383.419 2.856 0 1 GFAF COc1ccc(Cn2cc([C@@]3(C)NCCc4c3c(C(C)C)nn4C)nn2)cc1 962918300 NYPWYDAOHZUGTO-OAQYLSRUSA-N 380.496 2.601 0 1 GFAF COc1ccn2c(c1)nc1c2c(=O)n(CC2CCC2)c(=O)n1Cc1ccccc1 1772651030 NYYUXOYMQZDPLZ-UHFFFAOYSA-N 390.443 2.668 0 1 GFAF Cc1c(C(=O)N2CC[C@H](c3ccccc3)C2)cnn1-c1nc(O)c2c(n1)CCC2 1857581146 GOMAAJAFGSHVNE-INIZCTEOSA-N 389.459 2.795 0 1 GFAF COc1cc(C=C(C(=O)O)c2cc(C=CC(=O)O)cc(OC)c2O)ccc1O 2356563431 DEPVSDIYICBTJE-UHFFFAOYSA-N 386.356 2.838 0 1 GFAF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(C(=O)c3ccccc3)CCN21 2356681437 UULIGWJAFRPNCF-GOSISDBHSA-N 395.478 2.887 0 1 GFAF CC(=O)C[C@@H]1C2=C(O)[C@@H](CC[C@H](O)C[C@@H]3C=C[C@@H]4C(=O)[C@H](C)C[C@H]4[C@H]13)OC2=O 2356687806 CCFPLORINZAHKY-MZROYZOFSA-N 388.460 2.508 0 1 GFAF O=S(=O)(O)[C@H](CC=C[C@H](O)c1ccc(O)cc1)CCc1ccc(O)cc1 2356821572 GCOXCNWFFQOSSA-MOPGFXCFSA-N 378.446 2.967 0 1 GFAF c1ccc(OCc2cn([C@@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@H]43)nn2)cc1 2356828203 ITOWZWWTAQIUIR-CBPXPLCBSA-N 398.507 2.734 0 1 GFAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCC2CCOCC2)O3)c1 61904893 YYCDGUJYVPMDMJ-FQEVSTJZSA-N 380.444 2.798 0 3 GFAF O=C1OCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)=C1c1ccccc1 52538799 BKVUTIBFSDLXMN-UHFFFAOYSA-N 389.455 2.977 0 1 GFAF CCCCCCN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@H]1COCCN12 2356289534 WXNUCOXQMNTJBN-SFHVURJKSA-N 389.515 2.617 0 1 GFAF COc1ccc2c3c1O[C@H]1C4(CC[C@@H]5[C@@H](C2)N(CC2CC2)CC[C@]351)OCCO4 105266698 ZKNHXBONWOGIMA-XWOARTFESA-N 383.488 2.888 0 1 GFAF CN1CCN(CC(=O)Nc2cccc3c2Cc2c-3n[nH]c2-c2ccsc2)CC1 28896751 DQXRNJOFIYWUBI-UHFFFAOYSA-N 393.516 2.895 0 1 GFAF C[C@H](NS(C)(=O)=O)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181912 VRPOKYQSMJMPDT-MAUKXSAKSA-N 379.551 2.549 0 3 GFAF CC(=O)O[C@H](C)[C@@H]1CC[C@@]2(O)[C@]3(O)C[C@H](O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C 2356448435 CZFZYEPCYFVTBZ-VIAQLKHKSA-N 392.536 2.798 0 1 GFAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@]3(C)C(=O)CC[C@](C)(O)C[C@H]4O[C@H]3[C@H]2[C@H]41 2356794504 HYSZLZFAPSHDAS-UQKMJZLQSA-N 394.508 2.503 0 1 GFAF COc1cc([C@@H]2c3ccccc3C(=O)N3C=CN(C(C)=O)C[C@H]23)cc2c1OCO2 3964177 XXMYEEZJCBJUQK-YLJYHZDGSA-N 392.411 2.714 0 1 GFAF biogenic C[C@@H]1CNC(c2cccc(NC(=O)Nc3cccc(C4=N[C@H](C)CN4)c3)c2)=N1 45338366 FADOZRBISJANQU-ZIAGYGMSSA-N 376.464 2.807 0 1 GFAF CN[C@@H](C)C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)N[C@H]1CCCc2ccccc21 45245229 IDROMEXQJBMJKF-MAZHCROVSA-N 398.532 2.913 0 1 GFAF O=C(N[C@@H]1COCC[C@H]1N1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1C1CC1 147411314 AGERLEDRUBMMHB-BMGDILEWSA-N 398.425 2.537 0 1 GFAF CC(C)C[C@@H]1Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 149291481 IPOLRKPSCVSOEO-WMLDXEAASA-N 381.270 2.813 0 1 GFAF O=C(NCCc1ccncc1)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 299854745 BEMMXXILYHCYLS-UHFFFAOYSA-N 385.895 2.875 0 1 GFAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 299885001 UUERVZOSVGQPSA-YNJGCUIUSA-N 399.491 2.961 0 1 GFAF O=C1c2ccc(O)cc2OC2(CCS(=O)(=O)CC2)[C@@H]1c1ccc(F)cc1 587379291 XUGYQWBZUNNDBA-QGZVFWFLSA-N 376.405 2.838 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCN1CCOCC1 587869307 GFSCMAKLKJUSMB-UHFFFAOYSA-N 398.385 2.725 0 1 GFAF Oc1nc(O)c2cc3c(nc2n1)-c1ccc(I)cc1C3 587369998 SKIBLDOGSQDFCW-UHFFFAOYSA-N 377.141 2.612 0 1 GFAF COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587446809 GAYAMQLPPPGKSF-LTFPWLEOSA-N 384.428 2.907 0 1 GFAF CCOC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]n1 587592880 IAWINVYQYDONOL-VQIMIIECSA-N 380.356 2.995 0 1 GFAF COc1cc2c3c(c1)O[C@]1(CCC(=O)N(C[C@@H]4CCCCO4)CC1)[C@@H](C2)C3=O 587439531 VGNXNWVWCGRGBF-YHEJKZAPSA-N 385.460 2.763 0 1 GFAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12NCCc1cccc(-c3ccccc3)c12 962661275 JFTMWBNXRSZJED-UGKGYDQZSA-N 399.512 2.692 0 1 GFAF Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NC[C@H]1CCCO1 5058096 HIFWTSOJDUKWCW-PVPMGCCUSA-N 396.896 2.847 0 1 GFAF O[C@H]1CCN(CCOc2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 169708940 TVXSEYQIZAVRRR-DJJJIMSYSA-N 379.378 2.911 0 1 GFAF Nc1ncnc2c1c(-c1ccc(Cl)cc1Cl)cn2[C@@H]1O[C@H](CO)C[C@H]1O 1857543006 QKJBIQAMMFSVCM-VNQQYTOKSA-N 395.246 2.628 0 1 GFAF CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)N2CCOCC2)cc1 769560 GZTJVVUJMJKBOO-FPOVZHCZSA-N 379.460 2.703 0 1 GFAF CCc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 3591467 SOJNRYBLJMNPPN-UHFFFAOYSA-N 389.455 2.898 0 1 GFAF CCCNC[C@@H](O)Cn1c(C)c(C(=O)c2cccs2)c(=O)n1-c1ccccc1 13555967 JCKJIYACBBECQA-QGZVFWFLSA-N 399.516 2.600 0 1 GFAF COC(=O)/C=C\c1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 15152998 DPDJZJNYBSGDHT-CMYGLUHGSA-N 386.400 2.805 0 1 GFAF endogenous,in-man C[C@@H]1C(=O)NC2=Nc3ccc(OCCCC(=O)N(C)C4CCCCC4)cc3CN21 26850079 VEUBQXGSSUVCLB-OAHLLOKOSA-N 398.507 2.958 0 1 GFAF O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 29125382 WBBOGBYWDGJAHL-GOSISDBHSA-N 389.858 2.600 0 1 GFAF NC(=O)[C@@H]1CCCN1Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 45290798 SRLMYQWBLKPDRC-IBGZPJMESA-N 396.418 2.961 0 1 GFAF Nc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085172 OOOXVYKJWOAULY-INIZCTEOSA-N 396.472 2.906 0 1 GFAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3cc(F)ccc3F)nc12 95591908 UFNYCKYTDJNKRU-UHFFFAOYSA-N 393.371 2.842 0 1 GFAF CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3C)cc1)[C@H](CO)N2C(C)=O 95663018 HFPFWOUAQJBAPK-VXKWHMMOSA-N 378.472 2.570 0 1 GFAF O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 95796281 AMLRGBIIZRJNRU-DHIUTWEWSA-N 399.494 2.937 0 1 GFAF CCO/C(O)=C1\SC[C@H](C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)N=C1C 103533357 RGWAGRFRXKORFR-XHWSFILQSA-N 383.558 2.811 0 1 GFAF O=C1CNc2ccc([C@@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2N1 116255537 ICONQZBKGMYHET-HSZRJFAPSA-N 385.423 2.900 0 1 GFAF CC(=O)O[C@H](C/C(C)=C/CC/C(C)=C\CC/C(=C/CO)CO)[C@H](O)C(C)(C)O 238782469 DBAHGLBNNDLYHN-XWCVOBHZSA-N 398.540 2.804 0 1 GFAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccc(O)cc4[nH]3)cccc12 586942172 SJUHQUSQJVYOLS-UHFFFAOYSA-N 396.472 2.966 0 1 GFAF Cc1cc(C)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 587183176 WDXMKYWODNVPIE-UHFFFAOYSA-N 382.161 2.653 0 1 GFAF COC(=O)c1cccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587193565 LXFNTTWBVVWSBK-UHFFFAOYSA-N 381.432 2.869 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1cc(N4CCOCC4)ccc1N)[C@@H](C2)C3=O 587443183 LJBXQPLRZUNFOP-HTAPYJJXSA-N 380.444 2.777 0 1 GFAF COC(=O)C1=C2CCCN2C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523879 HYJUREDPSABBOD-QFIPXVFZSA-N 381.428 2.723 0 1 GFAF CCn1cc([C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587762207 DQNCKYHWKXQTBK-XXFAHNHDSA-N 382.233 2.667 0 1 GFAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2C2(CCC3(CC2)OCCO3)N1 962695620 IWYRIHWDHSRBDG-CQSZACIVSA-N 389.345 2.956 0 1 GFAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cnn(-c3cccnc3)c2)N1 962964168 JKUQMLVHYGFALP-WMLDXEAASA-N 390.777 2.887 0 1 GFAF NC[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1nccs1 1857585719 NZMOZQUUIAWEPZ-ZDUSSCGKSA-N 381.383 2.982 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C(=O)[C@H](C)[C@@]23CC[C@@]2(C=COC2)O3)C1(C)C 2356399181 PHNDFJBMMYOJPB-PUQKCMNZSA-N 392.492 2.772 0 1 GFAF CC(=O)O[C@H]1[C@@H]2[C@@H]3OCC4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]2(C)[C@@H](C(C)C)[C@H]1O 2356610647 RQLGNNVVLDWWNK-RRTLQOAHSA-N 378.509 2.838 0 1 GFAF C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1 4956052 XPMBAMATSNRVFM-QAPCUYQASA-N 395.503 2.803 0 3 GFAF Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)N3CCCC3)C(C)C)cc2s1 5028667 KOWNBIXIVBNNHX-MRXNPFEDSA-N 381.523 2.530 0 3 GFAF aggregator CC[C@@H](C(=O)N1CCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 6944391 OZOIIBIWFANVPK-KRWDZBQOSA-N 379.464 2.773 0 3 GFAF C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2S[C@@H](C)C4)C[C@@H](C)N1 13888322 LWKWCDOODAUPOG-AXFHLTTASA-N 391.468 2.520 0 1 GFAF CCOc1ccccc1-c1nc(C(=O)NCCCN2CCN(C)CC2)cs1 82074970 ASJZWNRPWDDNBZ-UHFFFAOYSA-N 388.537 2.576 0 1 GFAF CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](C(C)C)N3)cc1 82206264 CVIQTVMSGPCYLW-KRWDZBQOSA-N 399.495 2.612 0 1 GFAF FC(F)(F)c1nc(NC2CCSCC2)c2nnn(C[C@H]3CCCO3)c2n1 84710558 KYSMIGHTTWEFRF-SNVBAGLBSA-N 388.419 2.727 0 1 GFAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]([C@H](O)C(=O)[C@@H](C)[C@]23CC[C@@]2(C=COC2)O3)C1(C)C 96085912 PHNDFJBMMYOJPB-FYUPEHAASA-N 392.492 2.772 0 1 GFAF CCOc1cccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)c1 117369084 MXSZWVMTWCTPEC-UHFFFAOYSA-N 393.487 2.805 0 1 GFAF CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccco2)cc1 169687355 SYACAHCUKULFTE-QXAKKESOSA-N 397.427 2.809 0 1 GFAF COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(O)cc4)CC3)c2c1 221875067 AVJQHXNWTOBVDY-UHFFFAOYSA-N 394.475 2.919 0 1 GFAF O=C(/C=C/c1ccc(F)cc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@H](O)c1ccccc1 299829862 VPWVKJVEQBZDQU-DBTKADIDSA-N 398.386 2.567 0 1 GFAF CN(C)CCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660462 FZMAWGASXUHSSJ-UHFFFAOYSA-N 384.480 2.877 0 1 GFAF CCn1cc([C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587764431 PTCLNMDHXRQIMM-FVMDXXJSSA-N 382.233 2.667 0 1 GFAF COc1ccc(Cl)c2c1CCN[C@@]21C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 963260577 YNAJJJQDUPNBJB-BFUOFWGJSA-N 396.871 2.784 0 1 GFAF CNC[C@@H]1C=CN(C(=N)NC)C[C@]12[C@H]1CC[C@H]3CCC[C@@H]4CC(C(=O)O)=C(C1)[C@@]342 2356391641 WNZYQAQATAVYPE-IGUHAUHYSA-N 398.551 2.793 0 1 GFAF C[C@@H]1C(=CC(=O)N(C)CCO)CC[C@@H]2[C@@H]1[C@H](O)C[C@@H]1C(C)(C)[C@H](O)CC[C@]12C 2356527025 TVMAIDIIHRPKGC-YAMCOMOGSA-N 393.568 2.594 0 1 GFAF CC1(C)Oc2ccc(C[C@@H]3OC(=O)C(O)=C3c3ccc(O)cc3)cc2C[C@@H]1O 2356597611 OFDJVCBYZMERME-ROUUACIJSA-N 382.412 2.904 0 1 GFAF CCCCCCC(=O)CCCCCCC=CC[C@@H]1OC(=O)[C@@](N)(CO)[C@H]1O 2356629884 SWRBTIXRGZAKBN-IRFCIJBXSA-N 383.529 2.789 0 1 GFAF CN(Cc1ccon1)C(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 11766561 NTAOYQGCVLYLQT-HNNXBMFYSA-N 375.856 2.768 0 3 GFAF C[C@@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356315466 BBSJMECOWBMUCF-KTEAFEMFSA-N 380.525 2.669 0 1 GFAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCC(C)(C)CO 4052640 SOKKEVOALUUCJV-ICSRJNTNSA-N 382.460 2.922 0 1 GFAF CCCC[C@H](O[P@@](=O)(CC[C@@H](N)C(=O)O)Oc1ccccc1)C(=O)OC 103233393 HZRQGOGHVLPKBQ-CFAZGSRYSA-N 387.369 2.809 0 1 GFAF O=c1cc(COc2ccccc2)nc(-c2cccc(CN3CC[C@H](O)C3)c2)[nH]1 23368180 BATSYTDNJWYWSQ-IBGZPJMESA-N 377.444 2.583 0 1 GFAF O=C(N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCCC1)c1ccccc1 28098683 QYHUTQXOVWGOEV-FQEVSTJZSA-N 378.472 2.999 0 1 GFAF CC(=O)S[C@@H](C(=O)c1ccc(Cl)cc1)[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O 27314947 DOZOYSPQHWWQPB-DRZCJDIDSA-N 397.880 2.883 0 1 GFAF CC(=O)[C@H]1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(O)cc1 110650296 VIDKWVJJWDHXJJ-UXHICEINSA-N 376.412 2.774 0 1 GFAF CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)C)c3c2F)C1 25963089 GUTIIQCJYCJEHT-LBPRGKRZSA-N 393.434 2.995 0 1 GFAF CCN(CC)C(=O)[C@H]1CCC[C@H](NCc2cccc(OC)c2)CN(C)C(=O)C1 2356532298 VSUQLSPFBKRGHL-OALUTQOASA-N 389.540 2.670 0 1 GFAF CN1C[C@H](NCc2cccc(Cl)c2)CCC[C@H](C(=O)NC2CC2)CC1=O 2356544929 JNHRXOCIWAONRZ-MAUKXSAKSA-N 377.916 2.725 0 1 GFAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC=C[C@]([C@H](C)OC(C)=O)(C1)[C@@H]23 2356753452 YBXUUELSZBVEKX-SESVXGAZSA-N 394.471 2.763 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 38424793 MVELEQDHPIOVCZ-ZCNNSNEGSA-N 383.536 2.926 0 1 GFAF Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)nn3-c3ccccc3)nc12 218380413 TWAGIXGGYMXDRL-UHFFFAOYSA-N 388.479 2.707 0 1 GFAF NC(=O)c1ccsc1NC(=O)Cc1cccc(I)c1 71317205 FTOMPYNWHHBPMV-UHFFFAOYSA-N 386.214 2.633 0 1 GFAF Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(NC3CCNCC3)n2)n1 211055984 XXTLQVLGJWHTST-UHFFFAOYSA-N 386.463 2.745 0 1 GFAF NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2O[C@H]2CCCNC2)cc1 40413186 FPCOVWJHQJRSNW-KRWDZBQOSA-N 383.473 2.680 0 1 GFAF COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(O)c1OC 40900261 HIHOSHVAVAUYLA-QGZVFWFLSA-N 383.356 2.506 0 1 GFAF COCC(COC)Nc1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12 40974600 XOPNJTADGPQJEJ-UHFFFAOYSA-N 385.468 2.798 0 1 GFAF Cn1cc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)cn1 96176010 ZYWODVMPVQIZOK-UHFFFAOYSA-N 375.432 2.786 0 1 GFAF COc1cccc(CN2[C@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CC2)C3)c1 95668373 ACLBXTRLCZDZIR-FGZHOGPDSA-N 392.499 2.647 0 1 GFAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 299886284 WXORIUAHAIUONU-CMKODMSKSA-N 377.444 2.563 0 1 GFAF O=C(O)C[C@@H](O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586892746 VRJXIRNTARURJH-YFKPBYRVSA-N 383.120 2.602 0 1 GFAF COCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587409369 LRCCNOYXBGTXCC-GOSISDBHSA-N 375.446 2.704 0 1 GFAF Oc1nc(O)c2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2n1 587117232 QSKLTHQBNUZSGT-UHFFFAOYSA-N 388.737 2.753 0 1 GFAF COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587399195 JHHYNXBMIKSYRI-OAQYLSRUSA-N 383.400 2.788 0 1 GFAF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO 15449377 VWVSBHGCDBMOOT-RKXUHUOKSA-N 376.468 2.781 0 1 GFAF COc1ccc(C)cc1NC(=S)NCCNS(=O)(=O)c1ccc(C)cc1 217496779 CWICQEWJRBZKTF-UHFFFAOYSA-N 393.534 2.577 0 1 GFAF CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Br)cc3)nc12 224274537 MOHWMOKORLTRGQ-UHFFFAOYSA-N 390.237 2.797 0 1 GFAF O=c1cc(-c2ccccc2)oc2c(OCCCN3CCOCC3)c(O)cc(O)c12 1772609624 WYOIQUFVSJZRMA-UHFFFAOYSA-N 397.427 2.972 0 1 GFAF CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@]5(CC[C@H]12)CC(=O)O[C@]453 13434170 XCHPKMCSODEYHN-FBEWHJACSA-N 382.460 2.678 0 1 GFAF biogenic N[C@H](C(=O)N1CCSC1)C1CCC(NC(=O)Nc2ccc(F)c(F)c2)CC1 13588246 DRQXWCARABZCPQ-PPUFBPAQSA-N 398.479 2.505 0 1 GFAF NCCCCCCOc1ccc(C[C@H](NC(=O)Cc2ccccc2)C(=O)O)cc1 13738114 DPZKWNQLRZDLKI-NRFANRHFSA-N 398.503 2.939 0 1 GFAF O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)COc1ccccc1 13805713 CCIGYTQGGWYUNA-LELZANKISA-N 394.508 2.990 0 1 GFAF COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)ccc1O 14646790 FZFUSCRYZHVQNP-HUUCEWRRSA-N 386.400 2.713 0 1 GFAF biogenic CC(=O)O[C@H](C)OC(=O)N(C[C@@H](O)COc1cccc2[nH]ccc12)C(C)C 26951253 HPPOMZGDDQHFPI-LSDHHAIUSA-N 378.425 2.664 0 1 GFAF CS(=O)(=O)Nc1ccc(C(=O)C2CCN(CCc3cccnc3)CC2)cc1 28002494 NMJCELYPGUGECQ-UHFFFAOYSA-N 387.505 2.591 0 1 GFAF CC(=O)N1CCC[C@@H](Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)C1 28961022 FZAKXGDDGNQSFC-QGZVFWFLSA-N 378.432 2.719 0 1 GFAF C[C@@H](NCc1c(C(=O)N2CCOCC2)nc2ccccn12)c1ccc(F)cc1 82039543 LQGLPHBNBBKQQB-OAHLLOKOSA-N 382.439 2.797 0 1 GFAF O=C(C1CC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95873280 GJAAWTSXJPMCFX-YTFSRNRJSA-N 391.515 2.910 0 1 GFAF C[C@@]12C[C@@H]3C[C@@H](CC(CC(=O)NCCN4CCN(c5ncccn5)CC4)(C3)C1)C2 100840428 PUAGFPNCHHUQEU-LTSXUNDFSA-N 397.567 2.711 0 1 GFAF N#Cc1nc(C(=O)NCCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 146722634 UCHJDAPNJJRRLD-UHFFFAOYSA-N 377.356 2.809 0 1 GFAF Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccc(F)cc1 299836567 NMOSLFMMZWECIZ-UHFFFAOYSA-N 378.363 2.503 0 1 GFAF O=S(=O)(NCc1nc2cccc(O)c2[nH]1)c1ccc(Br)s1 586942906 QZHLAPMKRBCDMM-UHFFFAOYSA-N 388.268 2.571 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(O)c2c[nH]nc2n1 587864048 WNDRHEJYUHQUOK-UHFFFAOYSA-N 376.298 2.939 0 1 GFAF O=C(N1CCC(n2nc(-c3ccco3)oc2=O)CC1)C1(c2ccccc2)CC1 653746389 FJZFUVAINZCPLN-UHFFFAOYSA-N 379.416 2.992 0 1 GFAF CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)NCCCCNC(=N)N)c1 1857536996 FGQWUNBAIZDNKK-UHFFFAOYSA-N 382.574 2.823 0 1 GFAF COc1ccc2nc(CO[C@H]3CN(Cc4cccc(OC)n4)C[C@@H]3F)[nH]c2c1 2356299202 BLGIZKMIYNUWFO-YJBOKZPZSA-N 386.427 2.714 0 1 GFAF O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(c2ncccn2)CC1 4079736 QALQEZHUGKZHJK-UHFFFAOYSA-N 392.440 2.760 0 3 GFAF O=C(Nc1ccc(C(=O)NCCCN2CCCCC2)cc1)C1=CSCCO1 9738042 PRCRHZUUBGADIE-UHFFFAOYSA-N 389.521 2.836 0 3 GFAF OCC1=C(Br)C2=N[C@H](c3ccccc3)C[C@H](C(F)(F)F)N2N1 100517265 QFWFZPOUUJVCIG-GXSJLCMTSA-N 376.176 2.880 0 3 GFAF O=C(NCc1ccc(C(=O)NCc2ccco2)cc1)c1ccc2c(c1)OCO2 3022861 URRSSBYCMDSCRR-UHFFFAOYSA-N 378.384 2.868 0 1 GFAF COC(=O)c1nnn(-c2ccc(OC)cc2)c1-c1cc(OC)c(OC)c(OC)c1 103230347 OFTCUTGAWZTHDO-UHFFFAOYSA-N 399.403 2.755 0 1 GFAF Cc1nc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)cs1 113658778 OUSIXFSEDPAPFO-INIZCTEOSA-N 384.383 2.691 0 1 GFAF CCCO[C@@]12C[C@H]3C4=CCO[C@@H]5CC(=O)N6c7ccccc7[C@]1(CCN2C4)[C@H]6[C@H]53 2356542984 HSSPPKUPUVYOBZ-RIAIYXHGSA-N 392.499 2.847 0 1 GFAF NC(=O)Nc1sc(-c2ccc(OCCN3CCCCC3)cc2)cc1C(N)=O 38394186 SCBVWSFCSHHZTA-UHFFFAOYSA-N 388.493 2.869 0 1 GFAF NCCN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1 1911580160 MAESLEXXEVXRRQ-UHFFFAOYSA-N 394.548 2.713 0 1 GFAF N#Cc1cncc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1 220248286 XMHOASOCNUSOPA-UHFFFAOYSA-N 399.457 2.741 0 1 GFAF COc1ccc(CN2[C@@H]3CN(C(=O)NC(C)C)c4ccccc4[C@@H]3[C@@H]2CO)cc1 95894032 PJHPMRRPGVCKKD-FSSWDIPSSA-N 395.503 2.962 0 1 GFAF N#CN1CC[C@@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc2ccccc2)C1 621431342 MZXCKKKLKZTZOC-UXHICEINSA-N 398.507 2.923 0 1 GFAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cncnc2[nH]1 586945596 JOCCBZKDHUCQCV-UHFFFAOYSA-N 377.476 2.621 0 1 GFAF Nc1ncnc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc12 587168109 SGYIKHSGPGMEAM-UHFFFAOYSA-N 390.425 2.604 0 1 GFAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc4c(cn3)OCCO4)N12 962667491 NBOJZHBKTWRGNI-SIKLNZKXSA-N 391.427 2.589 0 1 GFAF COC(=O)[C@@H](c1n[nH]c2ccccc12)[C@@H](C(=O)OC)c1n[nH]c2ccccc12 5545980 RFOAQAFAYCWQCW-HZPDHXFCSA-N 378.388 2.653 0 1 GFAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C 13559117 SDQMSSNNQUNFKA-AWEZNQCLSA-N 380.489 2.893 0 1 GFAF COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN3C[C@H]2CC[C@H]1O 14589903 NXFSMEXZBFREEO-NXECCBQDSA-N 384.476 2.656 0 1 GFAF C[C@@H](O)C(=O)N[C@H]1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204995612 ABOAFLYBEQQYKZ-YJYMSZOUSA-N 379.460 2.532 0 1 GFAF Cc1cc(C)cc(Cn2cncc2C[C@H](N[C@@H](CC(C)C)C(=O)O)C(=O)O)c1 1549633 USKUEZOPCWQDOH-OALUTQOASA-N 387.480 2.633 0 1 GFAF NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 27329828 UXRQJPCPGQNTSH-KJMVQNPESA-N 387.568 2.828 0 1 GFAF Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 28826544 FOVMHXCGSPMFTG-UHFFFAOYSA-N 386.411 2.573 0 1 GFAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(C)[C@@H](O)CCC(C)(C)[C@@H]12 2356517954 ZPZIYHULOGDSFI-MLXYWSBFSA-N 394.508 2.756 0 1 GFAF COc1ccccc1N1CCN(CCCNC2=Nc3ccccc3OC2)CC1 26474320 AKTQSTPCOLTVQO-UHFFFAOYSA-N 380.492 2.920 0 1 GFAF CC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 29126084 PRNXQDSSMMGBCA-UHFFFAOYSA-N 394.466 2.586 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN[C@H](C(=O)O)[C@@H]3C2)N1 587790561 DHZTVXVNXUMHGH-YRCHETELSA-N 397.288 2.790 0 1 GFAF COc1cc2c3c(c1)O[C@](C)([C@H](N=O)C(=O)Nc1ccccc1OC)[C@@H](C2)C3=O 587433502 RKUWSXCTYLHOTP-NQZBTDCJSA-N 396.399 2.984 0 1 GFAF O=C1COc2cc(Br)ccc2N1CCc1nc2cc(F)cnc2[nH]1 586999529 FPXWGJAGZQAGDE-UHFFFAOYSA-N 391.200 2.828 0 1 GFAF CCOC(=O)C[C@@H](C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC 587399111 IAIJERXLIBBHIC-RBZFPXEDSA-N 377.437 2.824 0 1 GFAF CCOC(=O)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571447 KVBKAEGPUDPYQA-BUGVJISQSA-N 383.400 2.731 0 1 GFAF O=C(O)c1cc2n(n1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584525 ATEDJJFAEZPLSV-UTKZUKDTSA-N 392.367 2.938 0 1 GFAF CS(=O)(=O)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587111521 KVMDSLUULNPVPY-UHFFFAOYSA-N 397.378 2.915 0 1 GFAF COc1cc(/C=C(\C)[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C(=O)O)cc1 13823384 DTTGVLOBAUUKMP-PKNBQFBNSA-N 393.373 2.799 0 1 GFAF Cc1onc([C@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NCC2CC2)cn1 169685440 JNPJLUSXOXTGGB-DOTOQJQBSA-N 388.443 2.859 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@@H]3CCCN(Cc4ccccc4F)C3)ncc12 209345464 YPVIUHJJHJPDOL-CQSZACIVSA-N 398.442 2.892 0 1 GFAF CO[C@]12CC3=CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]3(C)[C@H](O)C1=C(C)C(=O)O2 2356423300 UGNBFLDDUQOMHC-BLTQFHMMSA-N 376.449 2.818 0 1 GFAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(F)c(F)c3)C[C@H](O)[C@H]2CO)n1 2356289307 SRXOYRVRFWAGGT-FEHORTKBSA-N 391.462 2.568 0 1 GFAF COc1ccc(-n2ccnc2CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1 20907530 ZTVRSMCWPKVKKE-FQEVSTJZSA-N 384.524 2.692 0 3 GFAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356809408 AQOHYPOMPKWKAD-KSZLIROESA-N 378.513 2.835 0 1 GFAF CC[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1/C(=C/OC)C(=O)OC 222359251 DAXYUDFNWXHGBE-YYLXQIFPSA-N 384.476 2.700 0 1 GFAF C[C@]1(O)OC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC[C@H]2C[C@@H]4C[C@@]23CC[C@]4(O)CO)O1 85557859 UJZHENZHUIYNTL-HUHIERMHSA-N 380.525 2.814 0 1 GFAF COc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1 221131294 YIQVFJMWRKEMQO-UHFFFAOYSA-N 388.431 2.927 0 1 GFAF C[C@@H]1CCCCN1c1nccnc1C1CN(C(=O)c2nc3ccccc3[nH]2)C1 145546685 GNHVNNMCOXIBID-CQSZACIVSA-N 376.464 2.971 0 1 GFAF Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)N2CCSCC2)cn1 143358958 LSKVQEOEQWSFGM-UHFFFAOYSA-N 397.460 2.603 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@H]1CN(CC)C(C)=O 95895308 DMYQOUWKCURJRZ-MQSCRBSSSA-N 395.503 2.682 0 1 GFAF CC(=O)N1CC[C@H]2[C@@H]1C(=O)N(C1CCCCC1)C(=O)N2Cc1cccs1 25410227 ZRNOWCKQPKVSOE-DLBZAZTESA-N 375.494 2.834 0 1 GFAF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nnnn3c2)N1 587792427 HOQXBTGZCJOIJC-FVMDXXJSSA-N 376.233 2.824 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1c(C(C)C)nn(C)c1N1CCOCC1)[C@@H](C2)C3=O 587431573 KJJQJKSXHOENND-BTYIYWSLSA-N 397.475 2.877 0 1 GFAF COC(=O)c1ccc(Oc2ccc3nc(CCOCCOCCN)[nH]c3c2)cc1 587246032 JJIPEKJLKSSUKC-UHFFFAOYSA-N 399.447 2.676 0 1 GFAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1S(C)(=O)=O 587408900 JNSNOJUTVWZWBQ-LJQANCHMSA-N 375.446 2.870 0 1 GFAF CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2C[C@H]1CO)c1ccccc1 13446933 ODMKKGACLNICLL-IBGZPJMESA-N 376.460 2.907 0 1 GFAF COc1ccc(-c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)cc1 205633264 LNERGVCUONPGBI-UHFFFAOYSA-N 389.411 2.658 0 1 GFAF COc1ccc(/C=C/S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)cc1O 1857772035 OLDJIXZYCAVFQW-BQYQJAHWSA-N 380.418 2.871 0 1 GFAF Cc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1 3814760 NSRMOHFGSWCCFK-UHFFFAOYSA-N 382.367 2.909 0 1 GFAF COc1ccc(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)cc1OC 4827061 ZZYOHGYYPGUXBV-UHFFFAOYSA-N 398.415 2.825 0 3 GFAF O[C@H](CNc1ccc(Br)cc1F)Cn1nnnc1-c1ccccc1 6822756 XANYQBISIRWLQM-CYBMUJFWSA-N 392.232 2.715 0 1 GFAF O=C(Nc1ccc(C(F)(F)F)nc1)C1=C(O)C[C@H](Cc2ccccc2)NC1=O 100076056 MOYSORPUDJFEQR-ZDUSSCGKSA-N 391.349 2.982 0 1 GFAF COc1ccc(-c2cn3c(n2)CO[C@H](CNC(=O)Cc2ccccc2)C3)cc1 2356298912 JZBMJTBLPBLXHP-LJQANCHMSA-N 377.444 2.816 0 1 GFAF COc1ccc([C@H](C)N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 102095053 VTUBHADBCXCYLY-ZSHMZMTCSA-N 385.460 2.737 0 1 GFAF Cc1ccc2c(c1)[C@@]1(SC[C@H]3C(=O)N(Cc4ccccc4)C(=O)N31)C(=O)N2 66259047 VKOHVDPPVVJXRY-OXJNMPFZSA-N 379.441 2.680 0 1 GFAF O=S(=O)(Cc1ccccc1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356755342 BHHXOSVFGRUPFD-CRAIPNDOSA-N 390.436 2.897 0 1 GFAF Cc1c2c(n3c1CCCNCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71296924 TYIQJDOOEFGQMB-UHFFFAOYSA-N 394.519 2.987 0 1 GFAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc(-c3cnccn3)no2)CC1 43021406 RUMNCJSUPKAMTM-SJORKVTESA-N 390.447 2.972 0 1 GFAF CN1CCN(C(=O)c2ccc(-c3cc4nc(O)c5ccccc5n4n3)cc2)CC1 43015218 GYGNIJSKOUCXOA-UHFFFAOYSA-N 387.443 2.643 0 1 GFAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C1CC1 43023100 NMGAHXUYDIFWLH-QHCPKHFHSA-N 388.423 2.957 0 1 GFAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2NC[C@H](C)NCc2ccc(Cl)cc2)c1 40413708 MCSLKWRASMXFKG-RIFZZMRRSA-N 387.959 2.524 0 1 GFAF COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(OC)cc3)ccc1N(C)[C@@H]2CO 95878052 DEYMDVYMBMQRFX-ZEYPLWLESA-N 396.487 2.709 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)NC)cc1)CC2=O 587490903 ZXGHAIXRKPVHBU-GOSISDBHSA-N 375.446 2.959 0 1 GFAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCO)[nH]c2c1 586894415 DJHBRAAAKHAVHU-UHFFFAOYSA-N 385.367 2.917 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2nc[nH]n2)N1 587790894 JYNCNCHCDGRSTL-QGHHPUGFSA-N 388.244 2.927 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccccn2)nc(=N)[nH]1 587871493 JFSKANCYAXXLPU-UHFFFAOYSA-N 377.383 2.737 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCN1CCOCC1)O2 587402083 XLEHUMGGLHIBEB-NRFANRHFSA-N 382.460 2.995 0 1 GFAF O=C([C@@H]1CCc2nncn2C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661578 QRVGZRMXMLFWPX-CQSZACIVSA-N 389.390 2.697 0 1 GFAF CC1=C[C@]2(c3c(Cl)ccc4c3CCN2[C@@H]4C(=O)O)[C@H](c2cc[nH]n2)C(=O)O1 962577183 VTDJOROMTSQKEW-GJYPPUQNSA-N 385.807 2.500 0 1 GFAF CCc1c(-c2ccc(N3CC[C@H](C4(N)CC4)C3)cc2)nc(O)c(C(=O)O)c1O 1772648772 PSOZOHNMYRNUHE-ZDUSSCGKSA-N 383.448 2.738 0 1 GFAF CN1CCN(C(=O)[C@@H]2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)CC1 13681807 VNXBDWUNAYPTRF-JGWPIBQHSA-N 398.547 2.609 0 1 GFAF COC(=O)CCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 14969283 DZXHVKADRGRHES-QFIPXVFZSA-N 386.492 2.679 0 1 GFAF CC(C)C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C(N)=O 166436299 ZOPQPIILBGPSHF-LJQANCHMSA-N 394.475 2.864 0 1 GFAF COc1cccc(-n2cc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)nn2)c1 1857571695 JDALLUZSXINKTO-CYBMUJFWSA-N 381.388 2.806 0 1 GFAF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc2c(c1)NCC(=O)O2 1857635341 QJNHHPSICARVHO-UHFFFAOYSA-N 384.823 2.811 0 1 GFAF COc1ccc2c3c1O[C@@H]1[C@]4(OC)C=C[C@]5(C[C@@H]4C(C)=O)[C@@H](C2)N(C)CC[C@]315 1639232 DGSADVAMZWFCMP-TUWUHUFZSA-N 381.472 2.505 0 1 GFAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCN1CCOCC1 4213463 BALZSEYDMDMTEL-RTBURBONSA-N 377.485 2.742 0 1 GFAF COc1ccc([C@@H](C)NC(=O)[C@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100795795 QXDNINQOTQLSMY-MPXRCLKFSA-N 380.444 2.901 0 1 GFAF Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3ccncc3)c2c1=O 115626738 CBEAOKWCANQJJP-UHFFFAOYSA-N 388.431 2.757 0 1 GFAF C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)C1CCCCC1 61906638 RGRBXHNYKWCSGY-GOSISDBHSA-N 398.912 2.716 0 3 GFAF COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CC(F)(F)F)C2)CC1 61688102 AJNUDTINQHWBPX-OAHLLOKOSA-N 385.430 2.761 0 3 GFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCC3CCCCC3)C[C@@H](O)[C@H]2CO)n1 2356497304 JXBFJFLNIDUJBR-VNTMZGSJSA-N 375.557 2.844 0 1 GFAF COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2cc(N)nc(C)n2)cc1F 113150713 WRDZQSWCULXFCM-UHFFFAOYSA-N 384.415 2.943 0 1 GFAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CC[C@](C)(NC)[C@H](O)[C@@H]32)O1 2356865662 VLBCDXKEKYYAFI-MUNAFPQKSA-N 395.632 2.675 0 1 GFAF CC(C)c1ccc(NC(=O)[C@@H]2CCOC2)c(N2CCN(c3cnccn3)CC2)c1 84632676 NICWJNJIKSAVEC-GOSISDBHSA-N 395.507 2.902 0 1 GFAF O=C(Nc1ccn(S(=O)(=O)Cc2ccc(F)cc2F)c1)c1ccccn1 198487788 HLQCLHQQWYDDAF-UHFFFAOYSA-N 377.372 2.792 0 1 GFAF C[C@H](NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1)c1ccccc1 95588013 YJQYIRCQGJDNIC-LBPRGKRZSA-N 385.445 2.803 0 1 GFAF c1cc(N2CCc3c(-c4ccc5[nH]ncc5c4)nc(N4CCOCC4)nc32)ccn1 95596603 MSGIVBOEPDXJJK-UHFFFAOYSA-N 399.458 2.946 0 1 GFAF Cc1noc(C)c1C(=O)Nc1c(N2CCC(Cc3ccccc3)CC2)c(=O)c1=O 299851371 FTVOPTOBCSTHSQ-UHFFFAOYSA-N 393.443 2.599 0 1 GFAF Cc1csc([C@](O)(Cc2nc3c(S)nc(S)nc3[nH]2)C(F)(F)F)n1 587094258 OGSHPDMKGSMZQF-LLVKDONJSA-N 393.441 2.688 0 1 GFAF CCOC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 587369800 OXXREZIFXYRKNT-HXUWFJFHSA-N 383.379 2.565 0 1 GFAF COC(=O)c1ccnc2[nH]c([C@H](CSCc3ccccc3)NC(C)=O)nc12 586973067 MYNUEPRMWZRTRV-HNNXBMFYSA-N 384.461 2.855 0 1 GFAF CC1=C(c2ccc3nc(CC(=O)OCc4ccccc4)[nH]c3c2)NNC(=O)C1 587782819 QKYCPFICHCTCGL-UHFFFAOYSA-N 376.416 2.604 0 1 GFAF O=S(=O)(c1ccc2nc(-c3ccc(F)c(F)c3)[nH]c2c1)N1CCOCC1 587146004 ZOPIVGZUUMXGNJ-UHFFFAOYSA-N 379.388 2.529 0 1 GFAF Cc1cc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1-n1cnnc1 962731221 QHLRWSDZTCCCKY-DLBZAZTESA-N 389.381 2.743 0 1 GFAF O=C(c1ccccn1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492058 WTOLAPFJUYRFPO-UHFFFAOYSA-N 389.390 2.835 0 1 GFAF COc1cc([C@@H](OC)[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 200551723 KDVJSVPEOZSZGS-VUEDXXQZSA-N 390.432 2.799 0 1 GFAF NCc1cc(Oc2cccc(C(=O)Nc3nnco3)c2)nc(C(F)(F)F)c1 1857571504 KYVQPBLKAZXOIY-UHFFFAOYSA-N 379.298 2.987 0 1 GFAF C[C@H]1C[C@H](C)CN(CCCNC(=O)CCS(=O)(=O)Cc2ccccc2F)C1 4710351 HPGDQCWMNPJYEF-IRXDYDNUSA-N 398.544 2.615 0 1 GFAF CNc1nc(C)c2cc(-c3cnc4[nH]ccc4c3)c(=O)n(C[C@H]3CCOC3)c2n1 117709935 FLAKGWVUMLAAEC-CYBMUJFWSA-N 390.447 2.721 0 1 GFAF CCN[C@@H](C)[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 28005428 HCWOOSMOKYXEKA-STQMWFEESA-N 387.455 2.998 0 1 GFAF O=C1[C@H]2C[C@@H](CN2S(=O)(=O)c2ccccc2)Oc2ccccc2N1CC1CC1 2356302162 NIVLINQTMHIEJX-QFBILLFUSA-N 398.484 2.654 0 1 GFAF CC=C(NC(=O)C[C@H](CCCCC)NC(=O)C[C@H](N)CCCCC)C(=O)O 2356541656 VWSNLVVBVKAHGF-CVEARBPZSA-N 383.533 2.844 0 1 GFAF CCOc1ccccc1-c1nc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)co1 72102062 YKFITHJUBHSKIL-IBGZPJMESA-N 385.464 2.564 0 1 GFAF Cc1c(NCc2nnc(Nc3ccc(O)cc3)o2)c(=O)n(-c2ccccc2)n1C 73222923 TXNSWBDUYZBVFH-UHFFFAOYSA-N 392.419 2.929 0 1 GFAF Cc1cc(N)nc(CCc2cncc([C@@H](CN)Cc3cc(C)cc(N)n3)c2)c1 98208559 HKLFDCGBVFYQPQ-QGZVFWFLSA-N 376.508 2.723 0 1 GFAF in-vitro COc1cccc(CO)c1C(=O)N1CC[C@@H]2CN(c3nc4ccccc4o3)[C@H]2C1 261155211 PSQXKRHIUSUALS-PBHICJAKSA-N 393.443 2.680 0 1 GFAF N=c1nc2c(c[nH]1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578400 WQTLAVNOUCXFPB-LAUBAEHRSA-N 375.384 2.788 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CCC)(CC(=O)N[C@H]1CCOC1=O)CC2=O 587469525 IZJYSPLJPNQELV-BTYIYWSLSA-N 389.448 2.671 0 1 GFAF COc1ccc2nc(-c3cc(I)c(N)cc3OC)[nH]c2n1 587178960 PBIVVGNCEATEEW-UHFFFAOYSA-N 396.188 2.829 0 1 GFAF COc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602188 XECXUFNSIKVEMW-PGRDOPGGSA-N 394.379 2.569 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)NCCc2ccc(O)cc21 963351188 FMSPXYOIWVKWKR-QFIPXVFZSA-N 383.444 2.701 0 1 GFAF COc1ccccc1/C=C(/NC(=O)c1ccccc1Cl)C(=O)N1CCNCC1 727270 XTRUAFVSQSYMSA-NBVRZTHBSA-N 399.878 2.551 0 1 GFAF CNC[C@H](NC(=O)c1ccc(-c2ccc(C)c(F)c2)[nH]1)c1ncc(CO)s1 1772611660 MQYRERWEJKIICN-KRWDZBQOSA-N 388.468 2.769 0 1 GFAF Ic1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 5974133 PKZARFFVLHBTER-UHFFFAOYSA-N 380.189 2.773 0 1 GFAF CCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169363575 GILYTJDQDXXBEX-FUJONMRSSA-N 381.472 2.616 0 1 GFAF C[C@H](C(=O)N[C@H]1COc2ccccc2[C@H]1S(C)(=O)=O)c1ccc(F)cc1 1857602167 DKLUNKKXISSMIY-ULFGMLNVSA-N 377.437 2.592 0 1 GFAF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)CC[C@]1(C)O 2356317630 HJNGIJLMVPSBJG-VSKRKVRLSA-N 386.467 2.655 0 1 GFAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@](C)(C(=O)O)[C@H](O)CC[C@@]13C 2356324262 IENPACSJMLTPMG-SKDGZZHASA-N 394.508 2.749 0 1 GFAF CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)O 2356403524 MJYRTXCQTAXNAH-ZHGSNAHXSA-N 394.552 2.899 0 1 GFAF Cc1nnsc1C1=NN[C@@H]2SC(c3ccccc3OC(F)(F)F)=NN12 103206383 URSWFTUIYIOZEX-LBPRGKRZSA-N 386.384 2.704 0 1 GFAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]3CC[C@H](OS(N)(=O)=O)[C@@]3(C)CC[C@@H]21 62027137 AOEHUXLJSHGXHN-MGYLJIMESA-N 381.494 2.846 0 1 GFAF O=C(NC1CCCCC1)N[C@H]1CCN2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 3838515 FKBFFCNYUAHDGE-RDJZCZTQSA-N 376.501 2.746 0 1 GFAF biogenic COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]ncc32)cc(Br)c1OC 71294992 OHNHLNXUPDXLEC-LBPRGKRZSA-N 392.209 2.558 0 1 GFAF COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1OC 73138474 CHMCBJOSDHGBIQ-VBKZILBWSA-N 397.431 2.733 0 1 GFAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(C3=NO[C@@H](C)C3)c2cn1)c1ccccc1 261142824 NIYFEKSTTDKJIW-YVEFUNNKSA-N 394.435 2.980 0 1 GFAF CS(=O)(=O)c1ccc2[nH]c(-c3ncn(Cc4ccccc4)c3N)c(N)c2c1 587650590 OJLHAYHFLDWFOV-UHFFFAOYSA-N 381.461 2.648 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)o1 586930818 HTXOKEWUGZRVSE-UHFFFAOYSA-N 395.750 2.535 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1CCOCC1 587864372 YYUBBMMBZODSBV-UHFFFAOYSA-N 383.370 2.940 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cnn(C)c2)N1 587765787 UEGMHCGZZAGFCW-DYZYQPBXSA-N 396.260 2.964 0 1 GFAF COc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1OC 586925699 IUHFKNVNSIRFNA-UHFFFAOYSA-N 388.445 2.799 0 1 GFAF O=C1CCCN1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657078 SOERNCYDDKVCLD-UHFFFAOYSA-N 383.354 2.604 0 1 GFAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)nc(S)nc2[nH]1 587111911 BZMMURCTMGHKCL-HNNXBMFYSA-N 397.382 2.766 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(C2CC2)N1 587849111 JPHKRDQPVDUNBP-RFAUZJTJSA-N 376.291 2.772 0 1 GFAF CC(=O)OC[C@]1(c2ccc(Cl)cn2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963038606 WTICEYGPDNGUKE-RBZFPXEDSA-N 385.851 2.595 0 1 GFAF COCCCCn1c(=O)cc(Nc2ccc(C)c(Br)c2)[nH]c1=O 13522349 JJIUGDRWTHTIMU-UHFFFAOYSA-N 382.258 2.778 0 1 GFAF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN(C)C)cccc2-3)cc1 13492127 BYPSHOOZDMABOO-UHFFFAOYSA-N 376.416 2.797 0 1 GFAF CSc1c(Cc2nc(C(=O)O)cc3c2[nH]c2ccc(O)cc23)n(C)c[n+]1C 15147751 ZYIVQWCFLANCMC-UHFFFAOYSA-O 383.453 2.596 0 1 GFAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(C(=O)NC3CCCCC3)CCN21 2356471111 KXNRQNVUIYLFTA-HXUWFJFHSA-N 398.551 2.950 0 1 GFAF CSC1=C(CCNC(=O)c2ccc(O)c(Br)c2)N(C)CN1C 2356867638 WUDWSOKUPVJKAX-UHFFFAOYSA-N 386.315 2.641 0 1 GFAF COc1cc([C@@H]2Oc3cc4c(c(O)c3C(=O)[C@@H]2O)C=CC(C)(C)O4)ccc1O 15203307 OCKDILXFKXBQJW-PMACEKPBSA-N 384.384 2.968 0 1 GFAF biogenic C[C@@]1(c2nnnn2C2CCCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2 199242764 COQVHMNTEVPQJP-FQEVSTJZSA-N 383.452 2.945 0 3 GFAF C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 86010693 BMPRGPGLZWJNOP-FCWZNLMOSA-N 378.465 2.897 0 1 GFAF in-man C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccccc3)cnc2O[C@H]1CN(C)C 95711539 WYWRIWAKLMZJHI-YRNRMSPPSA-N 383.492 2.530 0 1 GFAF CCN1C(=O)[C@@]2(N=C1N)c1cc(C#CC3CC3)ccc1CC21CCC(OC)CC1 141589073 QVUONTACMIUUMJ-TVNWEXPRSA-N 391.515 2.952 0 1 GFAF NC(=O)c1ccc(N[C@@H]2CNC[C@@H]2c2cc(F)cc(Cl)c2)c2cncnc12 143768765 ARDCHIOWMUVWOX-RHSMWYFYSA-N 385.830 2.689 0 1 GFAF Cc1cccc([C@@H]2C[C@@H]2NCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1 95592858 AMEMBWOWTMXVHT-GBAJDQEWSA-N 380.536 2.573 0 1 GFAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2ccccc2F)C1 95796013 LTQJZRUSRGGTNM-IBGZPJMESA-N 395.478 2.716 0 1 GFAF CC[C@H](c1nnnn1-c1c(C)cccc1C)N1CCN(c2ccccn2)CC1 95571275 QXQBBXDHQOYJFV-GOSISDBHSA-N 377.496 2.947 0 3 GFAF CCO[P@@](=O)(CCc1ccc(=N)[nH]c1)Oc1ccc2c(c1)C(=O)N(C)C2=O 473088709 JLCYKFKAMADATL-MHZLTWQESA-N 389.348 2.571 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3CCCS3(=O)=O)c1)O2 587410463 NDFZDMYMEDNELK-HXUWFJFHSA-N 386.473 2.998 0 1 GFAF C=CN1CC[C@@H]([C@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587438844 ROPPFRBAGWBODQ-MCFFVMPBSA-N 376.412 2.725 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(F)cnc4[nH]3)c2)o1 586923508 OFXOIKZFBMGUGA-UHFFFAOYSA-N 387.396 2.683 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2nc[nH]n2)N1 587792544 OTAGVGPRIWGEQE-BMLIUANNSA-N 388.244 2.927 0 1 GFAF CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1N1C(=O)c2ccccc2C1=O 587639327 RRKFEQYRYRUNGM-UHFFFAOYSA-N 392.367 2.772 0 1 GFAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](Cc3nc4cccnc4[nH]3)N12 962657298 BAYIJLDQGGFOAL-VGSWGCGISA-N 387.443 2.889 0 1 GFAF Cn1ncc(Cl)c1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963151277 STWGZBQUKBBPCB-JQWIXIFHSA-N 398.872 2.866 0 1 GFAF O=C(NC[C@H]1Cc2cccc(-c3cnccn3)c2O1)c1ccc2c(c1)OCCO2 12130898 UUYRTTYQKOVLDS-MRXNPFEDSA-N 389.411 2.648 0 1 GFAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)C1 767173 DVBWTGDJUHVJQV-LMMKCTJWSA-N 383.473 2.577 0 1 GFAF C[C@]12C[C@H]3Cc4nc5cc(Cl)ccc5c(N)c4[C@@H](C1)[C@@H]3N2S(C)(=O)=O 101066757 GIBJSDQKBFLJLP-KSVPUCKHSA-N 377.897 2.923 0 1 GFAF Cc1ccccc1-c1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)n2c1=O 114790180 ZROSQJJHCAXSRZ-UHFFFAOYSA-N 397.442 2.749 0 1 GFAF CN(C)c1n[nH]c2c1[C@@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 102017195 QNYADJHHTWVLEV-WFASDCNBSA-N 380.901 2.970 0 1 GFAF C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1sc2ccccc2c1=O 20467319 VRMCQUIACDBANX-MRXNPFEDSA-N 381.501 2.968 0 1 GFAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1)c1ccco1 2356827291 HPFQUDSAXOSSGU-NRSPTQNISA-N 379.504 2.778 0 1 GFAF COc1ccc([C@](C)(O)c2nc(N3CCC(O)CC3)nc3ccccc23)cc1 1911582148 IMEYTVCMRHEHCM-QFIPXVFZSA-N 379.460 2.855 0 1 GFAF COc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 220714629 OKGLRFINLNSCOR-QFIPXVFZSA-N 393.443 2.629 0 1 GFAF C[C@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ccccc12 96921537 XZADTAXOFGSUFI-HNNXBMFYSA-N 383.473 2.703 0 1 GFAF Cc1ccc(-n2nc(-c3cnn(C)c3)cc2NC(=O)c2cnn3cccnc23)cc1 145874160 YKGHYFJHQUGFKF-UHFFFAOYSA-N 398.430 2.876 0 1 GFAF CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 261177047 VDCCBHJXOKWFOU-MGCOHNPYSA-N 384.424 2.777 0 1 GFAF CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)C(C)=O 473172469 WWGRJOKTOVMYFP-UHFFFAOYSA-N 383.835 2.977 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C(O)O 587570075 KAEJFOANUOLKHY-LAUBAEHRSA-N 382.343 2.699 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3ccc(CCO)cc3[nH]2)CCC(O)CC1 587236703 FSDZOLWBJLSASV-UHFFFAOYSA-N 375.469 2.753 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCOCC4)c(N)c1)[C@@H](C2)C3=O 587445600 WSHNKSLBHYFCEJ-AOMKIAJQSA-N 380.444 2.777 0 1 GFAF Cc1ccc(C)c2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc12 587179636 DCKGHYMEHDKSPN-UHFFFAOYSA-N 396.188 2.883 0 1 GFAF COC(=O)c1cc(Br)c2[nH]c(-c3cnc(N(C)C)nc3C)nc2c1 587194653 KSKZTPYTNDQPRY-UHFFFAOYSA-N 390.241 2.943 0 1 GFAF CCOC(=O)c1cc([C@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)nn1C 962577817 WHVNJAQBYPSXHW-ASSNKEHSSA-N 387.480 2.754 0 1 GFAF COC[C@@]1(C2CCOCC2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962646086 SVEJREOABQBRGZ-FCHUYYIVSA-N 384.476 2.602 0 1 GFAF C[C@@H](CO)c1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)n1 1772629643 FTHMDHAGWFGKJX-ZDUSSCGKSA-N 380.423 2.891 0 1 GFAF Cc1cc(C(=O)[C@H]2C(=O)Nc3ccc(F)cc32)c(C(=O)N2CCCCC2)c(O)n1 1857650958 ZQZHOHVULLSNSE-INIZCTEOSA-N 397.406 2.779 0 1 GFAF Nn1c(Cc2cccs2)nnc1SCC(=O)Nc1nc2ccccc2o1 1857762595 TYMBIACLWPOOAE-UHFFFAOYSA-N 386.462 2.516 0 1 GFAF CC[C@H]1CCCCN1CCCNC(=O)CN1C(=O)[C@@H](CC)Oc2ccccc21 4100560 GPNVWHXBSLWUIM-PKOBYXMFSA-N 387.524 2.961 0 3 GFAF COCCNc1nc(CN2CCCC[C@H]2C(=O)OC)nc2ccc(Cl)cc12 55099127 VYIUPNWHEADZKP-INIZCTEOSA-N 392.887 2.869 0 1 GFAF CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)c1C 28817274 YUCQEDZULBKWMG-BBWFWOEESA-N 389.496 2.623 0 1 GFAF C[C@H]1C(CSc2ccc3ccccc3n2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 26489453 MFRMKFLRHFSYSU-YGSYIFCWSA-N 384.457 2.523 0 1 GFAF O[C@H]1[C@H](n2cnc3ccccc32)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccccc1Cl 2356597977 ATLOEUDKUOMHGR-CXQPBAHBSA-N 385.851 2.505 0 1 GFAF CN1C(=O)C(=C(/C=C/c2ccccc2)Nc2ccccc2N)C(=O)N(C)C1=O 49051579 XUXNHFAVBKAUQK-OUKQBFOZSA-N 376.416 2.699 0 1 GFAF CCCCNC(=O)CN(C)C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82085724 XLOIRFYDTZIHCC-UHFFFAOYSA-N 391.493 2.816 0 1 GFAF COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccn2)CC1 41529298 GYBUADPJPWFDQT-UHFFFAOYSA-N 387.447 2.546 0 1 GFAF CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)[C@@H](c1ccccc1)CN2 82209675 RRYRRSPOQCZBFM-QGZVFWFLSA-N 386.496 2.519 0 1 GFAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3OC)cc2)[C@H]1CNC(C)=O 95667468 PCDDEFDXTLGQFC-TXTKFYIRSA-N 396.487 2.564 0 1 GFAF CC(=O)N1CCC(c2nccnc2OC2CCN(c3cc(C)ccn3)CC2)CC1 96169031 NZLGVRMAFFOYSO-UHFFFAOYSA-N 395.507 2.954 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@@H]2CNC(=O)NC(C)C)cc1 95668432 KWZBXTRLWPNDOY-FQXUTTLCSA-N 399.535 2.883 0 1 GFAF CNCc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12 95585786 LKOVLLARVUQHIJ-UHFFFAOYSA-N 379.821 2.934 0 1 GFAF COC(=O)c1ccc2c(c1)n(O)c(C(=O)c1ccccc1)c(C(F)(F)F)[n+]2=O 377845653 HAFNEDMMHBGGQT-UHFFFAOYSA-N 393.297 2.830 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc(Br)cc1O)O2 587377625 OEZPTYJCWKGNRS-QGZVFWFLSA-N 392.205 2.991 0 1 GFAF CCOC(=O)C[C@@]1(C(OCC)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442845 YXXWPCWVFUVAIO-JLTOFOAXSA-N 378.421 2.534 0 1 GFAF NS(=O)(=O)c1ccc(CCc2nc3cc(F)cc(Br)c3[nH]2)cc1 586929146 BPTGMYKFLQWYFV-UHFFFAOYSA-N 398.257 2.897 0 1 GFAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ncc[nH]c-2n1 587108345 JALWAMXEPJLGSG-LLVKDONJSA-N 397.382 2.849 0 1 GFAF COC(=O)C(=O)C[C@]1(c2ccccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445402 YQXXBRXCROIPQX-OPAMFIHVSA-N 380.396 2.779 0 1 GFAF COC(=O)c1ccc2c(c1)[C@]1(CCC2)NCCc2ccc(C(=O)N(C)C)cc21 962929751 WUAOQDRIBJJRNI-HSZRJFAPSA-N 378.472 2.901 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]21C 14782164 BMPRGPGLZWJNOP-BSYGKTNSSA-N 378.465 2.897 0 1 GFAF endogenous,in-man CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(Nc4ccccc4)oc23)[C@@H](O)C1 169685057 CSPOYMBTEMGPFC-GUYCJALGSA-N 382.416 2.728 0 1 GFAF CC(C)(CN1CCOCC1)N=c1cc(-c2ccncc2F)[nH]c2cnccc12 1857539272 GKZAYEJWXNQDAQ-UHFFFAOYSA-N 381.455 2.776 0 1 GFAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCN3CCNCC3)cc(O)c12 40974322 XMEGTNXAWSGYIV-UHFFFAOYSA-N 396.443 2.545 0 1 GFAF CCOc1ccccc1-c1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)co1 72102063 YKFITHJUBHSKIL-LJQANCHMSA-N 385.464 2.564 0 1 GFAF O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccs1 95574377 BMFHZRZIYNLNCC-UHFFFAOYSA-N 398.525 2.957 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CC1CC1 95872061 MCHWHEDXBMJDHJ-QZNHQXDQSA-N 382.504 2.845 0 1 GFAF CC(=O)N1[C@H](CN(C(=O)c2ccccc2)C(C)C)[C@@H](c2ccccc2)[C@@H]1CO 95895346 XRUWEPTYFYYESG-BHIFYINESA-N 380.488 2.913 0 1 GFAF Cc1cc(C(C)(C)O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1 205292850 GAKAFNUKJGXLLC-JKSUJKDBSA-N 398.511 2.537 0 1 GFAF Cc1ccc(-c2noc(C3(CO)CC3)n2)cc1NC(=O)c1cnc2ccccn12 206118269 FFZMQGTUGMGYIF-UHFFFAOYSA-N 389.415 2.969 0 1 GFAF CN(C)C(=O)[C@@H](CC1CCC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207420412 YEBYJDDEHYSRFD-MRXNPFEDSA-N 386.496 2.520 0 1 GFAF O=C(Nc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1)c1cocn1 219748593 XBQQFMSYFSIDKY-LJQANCHMSA-N 393.443 2.725 0 1 GFAF CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586946015 FQIKWSLHBSJCTD-UHFFFAOYSA-N 384.383 2.670 0 1 GFAF CS(=O)(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587087011 KYZPJGIKMXJQOH-UHFFFAOYSA-N 386.040 2.836 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)O2 587388192 XMGBKPNKFJQKMG-ORAYPTAESA-N 378.425 2.669 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)O2 587394494 WJFAAILTVVAZGM-VBKZILBWSA-N 390.436 2.765 0 1 GFAF COC(=O)[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807195 LKBAOZHUPRJJMH-XYZCENFISA-N 384.245 2.860 0 1 GFAF CCOc1ccccc1-n1c(=O)c2c3c(sc2n(CC(C)=O)c1=O)CCC3 958059122 HCLRVCJEDQJUJE-UHFFFAOYSA-N 384.457 2.690 0 1 GFAF CCc1ccc(COC(=O)c2c[nH]c(=NC)n3nc(-c4ccco4)nc23)cc1 1857656774 LHHCKUUYYUDSJU-UHFFFAOYSA-N 377.404 2.767 0 1 GFAF COc1cccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2O)c1 2356309612 WCHCCHCBARZTPZ-MLHJIOFPSA-N 395.377 2.722 0 1 GFAF C[C@@H]1[C@@]2(O)C[C@]34CC(=O)O[C@]3(C[C@@H](OC(=O)c3ccccc3)[C@H]4C)[C@@]1(C)CO2 2356405194 KDOWKKIVVPYLEG-JJULEZAOSA-N 386.444 2.689 0 1 GFAF CC(=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O[C@@]2(C)CC[C@@H](O2)[C@H]1C)C(N)=O 2356535663 GRVRRAOIXXYICO-PEAOPQSGSA-N 395.540 2.534 0 1 GFAF CC1=C2C[C@H](O)[C@@H]3[C@H](C)C(=CC(=O)OCCN(C)C)CC[C@@H]3[C@@]2(C)CC[C@H]1O 2356583798 IACCOBWNMQUOBF-QYSUNZHGSA-N 391.552 2.922 0 1 GFAF COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O 14646766 QQJNIQAYUUHBGC-HUUCEWRRSA-N 388.416 2.698 0 1 GFAF biogenic CCOC(=O)[C@]1(N)N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc21 27727791 PZDSBZVHFZPPCC-HXUWFJFHSA-N 395.850 2.755 0 1 GFAF COc1cc2nc(N3CCC(N4CCCC4)CC3)nc(N(C)C)c2cc1OC 40892694 SJECMHQBWLCEEU-UHFFFAOYSA-N 385.512 2.778 0 1 GFAF Cc1c(NCc2nnc(-c3ccccc3O)o2)c(=O)n(-c2ccccc2)n1C 73168317 PIWPIOZLLSSTDL-UHFFFAOYSA-N 377.404 2.852 0 1 GFAF COc1cc2nc(NCCCCCO)nc(NC[C@H]3CCCO3)c2cc1OC 82119696 CLOIQIFOCLIJIM-CQSZACIVSA-N 390.484 2.812 0 1 GFAF CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1)C(=O)C1CCC1 95895770 KEXUMZGYEIHSGS-BDTNDASRSA-N 392.499 2.914 0 1 GFAF O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1nc(Cl)c2ccccc2c1O 96910826 CMRBZAGEXPEKDW-AWEZNQCLSA-N 386.791 2.725 0 1 GFAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccc4[nH]ccc34)CC1)C2 117363380 ZAILEKMOQXHRQJ-UHFFFAOYSA-N 388.471 2.887 0 1 GFAF CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 147408370 UBQGHZHGVDBKTF-JNSHFYNHSA-N 382.461 2.786 0 1 GFAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccc[nH]c5=O)n4)CCC3)cc2)cn1 149776453 DVNDYAKTKBBPCE-UHFFFAOYSA-N 386.415 2.934 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 197227549 YTKUUOVYXFLJGW-CNIMQSSCSA-N 378.465 2.897 0 1 GFAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586984228 OPLKOBVZFAVMTJ-LBPRGKRZSA-N 396.266 2.815 0 1 GFAF COC(=O)Cc1cc(OC)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OC 587945691 PFXJXFZIGUXPFT-CQSZACIVSA-N 384.335 2.843 0 1 GFAF Cc1cnc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cn1 963150694 RXUIMTSZFADNCI-OLZOCXBDSA-N 376.438 2.577 0 1 GFAF CSc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963226351 LPVTYDBXXCIGKX-NQIIRXRSSA-N 391.452 2.751 0 1 GFAF COc1ccc2[nH]c(C(=O)O)c([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2c1 963527724 QIYCSIHJTMZIKR-KSSFIOAISA-N 396.399 2.577 0 1 GFAF CN1CCN(c2ccc3c(N=c4cc[nH][nH]4)nc(-c4ccccc4)nc3c2)CC1 1857774500 ZKKMELUMPUJDFZ-UHFFFAOYSA-N 385.475 2.937 0 1 GFAF CCCCCCN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@H]1COCCN12 2356289748 YUFSQDCVONXXQH-FQEVSTJZSA-N 386.540 2.870 0 1 GFAF COc1cc2c(cc1OC)[C@H](c1cc3c(cc1O)OCO3)[C@H](C)[C@@](C)(O)C2=O 2356655895 OZRMWBSRSFROHU-WHAWDCSBSA-N 386.400 2.853 0 1 GFAF COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCCC2)n1 12726133 ZMPSLQHVIXWVTO-UHFFFAOYSA-N 378.864 2.672 0 3 GFAF CCn1cc(C(=O)N2CCN(c3ccccc3C)CC2)c(=O)c2ccc(C)nc21 206491137 PASFFUDBMHNWJC-UHFFFAOYSA-N 390.487 2.996 0 3 GFAF Nc1nc2ncn(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)c2c(=O)[nH]1 27185382 ZCRJSOPZDUTJNQ-UHFFFAOYSA-N 394.822 2.656 0 1 GFAF Cc1c(OCCOc2ccccc2)ccc2c(=O)nc(N3CCOCC3)oc12 28713162 NJGBGXMJRICWFX-UHFFFAOYSA-N 382.416 2.791 0 1 GFAF O=S1(=O)NCc2ccccc2N1C1CCN([C@H]2CCc3ccccc3C2)CC1 28387547 WAYITSUZOXRFOB-NRFANRHFSA-N 397.544 2.863 0 1 GFAF C[C@H]([C@@H](O)CO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925226 ASYNKIUHLPMXKX-MKHJVSQVSA-N 380.569 2.966 0 1 GFAF CN[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)OC 26266272 AVLCOLQZUCMSGK-SFHVURJKSA-N 383.448 2.647 0 1 GFAF CC[C@H](C)C(=O)OC(C)(C)[C@@H]1O[C@@H]2C=Cc3ccc(=O)oc3[C@H]2[C@@H]1OC(C)=O 2356652165 RGWXVYCMAYKPRS-ZCKAXCAWSA-N 390.432 2.817 0 1 GFAF CO[C@@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)C[C@H](O)C(C)(C)O2 2356846471 OOGJVXKOBYYOLN-SIKLNZKXSA-N 396.439 2.992 0 1 GFAF COc1c(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(C)cc2)c2occc12 64527644 JIWYKRZWRWYMKZ-UHFFFAOYSA-N 377.374 2.954 0 1 GFAF COc1ccc(C[C@@H]2c3cc4c(cc3CCN2C)OCO4)c(C(=O)O)c1OC 14919466 OBMCYABEWGVSQB-OAHLLOKOSA-N 385.416 2.902 0 1 GFAF biogenic Cn1c(NC(=O)c2ccccc2Cl)nc2cnc(NC3CCOCC3)nc21 40566986 URIHCUNMWHUSDO-UHFFFAOYSA-N 386.843 2.860 0 1 GFAF CNC(=O)N1CCC[C@H]([C@H](C)Nc2nccc(-n3cnc4ccccc43)n2)C1 45320840 GUANBVMXZMYPLN-GJZGRUSLSA-N 379.468 2.667 0 1 GFAF CCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 82210133 MIXAKQOEGLLSGM-MJGOQNOKSA-N 388.512 2.573 0 1 GFAF NC[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2c[nH]c3ncccc23)s1 230559707 QBCCWXSYZAJLOT-AWEZNQCLSA-N 377.473 2.986 0 1 GFAF Cc1cc(-c2nc3cc(C(N)=O)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123685 GGSXCLVDZCCIEO-UHFFFAOYSA-N 398.366 2.899 0 1 GFAF COC(=O)[C@@H]1C[C@@]2(CCN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587757648 AXDVTXOLPJKZSU-TYFHEEPYSA-N 385.277 2.585 0 1 GFAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(-n3cnnn3)cc2[nH]1 587081205 XUOMMJNVLHKXHH-AWEZNQCLSA-N 378.827 2.916 0 1 GFAF CN(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)S(=O)(=O)c1cccnc1 586928415 AHZCSAUHGQPTNH-UHFFFAOYSA-N 386.355 2.677 0 1 GFAF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Nc1ccccc1 13446589 PMKVUAMGQRYBBI-IBGZPJMESA-N 376.416 2.975 0 1 GFAF CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(=O)O)cc1 13818773 OMKQSKNLFNSPII-INIZCTEOSA-N 390.823 2.826 0 1 GFAF O=S(=O)(c1ccc(Cl)cc1)n1cc2c3c(cccc31)N1CCNC[C@H]1C2 169351351 UUAAWZUEHMOCBC-OAHLLOKOSA-N 387.892 2.866 0 1 GFAF CC(C)Oc1cccc(N2C(n3ccnc3)=Nc3ccncc3S2(=O)=O)c1 5596513 HXCQMHBIQXCYLI-UHFFFAOYSA-N 383.433 2.810 0 1 GFAF CCCN[C@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1 6381439 IUZNDYHFIGGVLG-AWEZNQCLSA-N 387.455 2.901 0 1 GFAF COC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19234573 NKPHVJAVUYSGSZ-RQXXJAGISA-N 396.418 2.516 0 1 GFAF CCN[C@H](C)[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 28005431 HCWOOSMOKYXEKA-OLZOCXBDSA-N 387.455 2.998 0 1 GFAF C[C@](N)(CO)C(=O)Nc1ccc(OCCc2cccc(C(F)(F)F)c2)cc1 35907213 WURRAXKUDRZPOK-SFHVURJKSA-N 382.382 2.975 0 1 GFAF CC(C)(O)[C@H]1CC[C@](C)(O)[C@H](COc2c3ccoc3cc3oc(=O)ccc23)O1 38225044 PIGJUYQFLILCLL-WWMYMODYSA-N 388.416 2.988 0 1 GFAF CN1CCN(C(=O)/C(NC(=O)c2ccccc2)=C(/Cl)c2ccccc2)CC1 72177367 YJURCGPFQYLFNS-HNENSFHCSA-N 383.879 2.798 0 1 GFAF CC(C)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN 82082310 KMNDIINHQFCRTF-CQSZACIVSA-N 381.885 2.720 0 1 GFAF CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95668669 NECLCUYHPCRDLO-YPAWHYETSA-N 382.504 2.845 0 1 GFAF CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95794748 YZAOSHCLUDBABW-CVEARBPZSA-N 385.430 2.572 0 1 GFAF CC[C@@H](NC(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]3C2)n2c1COCC2)c1ccccc1 146138617 SROGUBHYXATGDY-JENIJYKNSA-N 393.487 2.991 0 1 GFAF CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(SC)cc1 169294004 LYAQGMNUNZHKRV-WOCWXWTJSA-N 394.489 2.575 0 1 GFAF COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1 195328788 YSUCNGMRMPFCKW-GBSSUUQASA-N 394.471 3.000 0 1 GFAF O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)ccc1NCc1cccnc1 195397739 ZNFUSHNZKCNOBJ-OHHBCXFOSA-N 389.411 2.703 0 1 GFAF Cc1ncc([C@H](CNC(=O)c2c(Cl)cccc2Cl)N2CCOCC2)cn1 207632557 KPTGZRDOBIPGNV-INIZCTEOSA-N 395.290 2.895 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCCC4)n3)C2)cc1 261154881 PSMJZTHOVLHWNJ-OXJNMPFZSA-N 395.507 2.932 0 1 GFAF NS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc(F)c3[nH]2)cc1 586930433 SWWUMPFJYXNRHE-UHFFFAOYSA-N 398.257 2.897 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 586946347 KQSVNLQXKDVWHL-GFCCVEGCSA-N 393.415 2.965 0 1 GFAF COC(=O)c1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cn1 586983595 FJJSLXQOEAUNNE-LLVKDONJSA-N 375.226 2.750 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@@]1(CS(=O)(=O)O)C3(C)C)O2 587410625 TYPPJFXTOXLUAP-RQUSPXKASA-N 379.478 2.995 0 1 GFAF O=C(O)[C@H]1C(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H]1C(=O)O 587969810 ADSIDPZTFGKYEF-IUCAKERBSA-N 393.115 2.843 0 1 GFAF O=c1ccc2cc(S(=O)(=O)NNc3ccc(Br)cc3)ccc2[nH]1 653701727 WCZLYMAUPIMXLP-UHFFFAOYSA-N 394.250 2.596 0 1 GFAF O=C(NC[C@@H](c1cnc(C(F)F)nc1)N1CCOCC1)c1ccccc1Cl 1772597272 ZQEUYWGTZUNJCO-HNNXBMFYSA-N 396.825 2.871 0 1 GFAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cnc(F)c(F)c2)cn2ncnc12 1772614325 RRJSTOLWZPFHFR-UHFFFAOYSA-N 386.293 2.981 0 1 GFAF CCn1c2c(c(=O)n(Cc3ccc(F)cc3)c1=O)CN(Cc1ccccc1)CC2 1857535910 WXLLYZIOBNCWKE-UHFFFAOYSA-N 393.462 2.776 0 1 GFAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@@H]3CCc4cnn(C)c4C3)nc12 1857637115 MHMUQRPVYRIHGN-MRXNPFEDSA-N 376.439 2.969 0 1 GFAF CC(C)CN1C[C@@H](C)[C@](F)(c2nc(O)c3cnn(C4CCOCC4)c3n2)C1 1857654157 AMTQJCKHWWROOL-YJYMSZOUSA-N 377.464 2.656 0 1 GFAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)[C@@]2(CC[C@]3(CO[C@H](O)C3)O2)[C@@H](C)[C@H]1O 2356403039 XUFKRKJXYWRSRT-GZDATQLSSA-N 396.524 2.788 0 1 GFAF COc1c(C)c(OC)c2c(c1C=O)OC[C@H](Cc1ccc3c(c1)OCO3)C2=O 2356437835 KDFMFFDXKBBDSP-ZDUSSCGKSA-N 384.384 2.987 0 1 GFAF COc1cc2c(cc1OC)[C@H](C(=O)NC1CC1)[C@@H]1c3ccccc3CCN1C2=O 2456060 NWFOQGJCXNNULB-SFTDATJTSA-N 392.455 2.819 0 3 GFAF Cc1n[nH]c(C)c1CCNCc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 13596225 ZMPYWVFZLMUJCV-FQEVSTJZSA-N 386.540 2.584 0 3 GFAF COC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C 1340063 VLLJJFLOCCBZHT-UHFFFAOYSA-N 375.479 2.816 0 3 GFAF COCCCNC(=S)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 8685769 ACWQWIPVRDOUKB-UHFFFAOYSA-N 396.516 2.836 0 3 GFAF COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4C(C)=O)[C@@H](C2)N(C)CC[C@]315 103109807 KRWAWNXEYPCCLG-JXUGQUGUSA-N 383.488 2.729 0 1 GFAF CC(C)[C@H](NS(=O)(=O)c1ccc(-c2cccc(F)c2)cc1)P(=O)(O)O 28639423 NZKKRYAESABOSS-MRXNPFEDSA-N 387.369 2.931 0 1 GFAF CN(CC[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1)CC(=O)O 26153970 MQQKPCJATPTTIU-SFHVURJKSA-N 377.462 2.617 0 1 GFAF CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2C(=O)OCCO[N+](=O)[O-])cc1 103284230 FLLBPVMOJOZHOR-CRAIPNDOSA-N 392.452 2.731 0 1 GFAF Cc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 104100878 UKNSGMJWDOMSSR-INIZCTEOSA-N 385.423 2.941 0 1 GFAF CC1CCN(c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)O)c2C3=O)CC1 61948759 YJYVOHYKZAIFMJ-UHFFFAOYSA-N 385.441 2.998 0 3 GFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCC2CCC2)nc1 28883863 RHCHJMOQZPADBX-UHFFFAOYSA-N 375.372 2.869 0 1 GFAF Cn1cc(-c2cc(C(N)=O)c3ncnc(NCc4cccc(F)c4)c3c2)cn1 114342684 VJBYQFPMEPNNCU-UHFFFAOYSA-N 376.395 2.880 0 1 GFAF COC(=O)c1cc(NC(=O)c2cccs2)ccc1OC[C@H](O)CNC(C)C 25978262 FWZXAMOOIOVRIH-CQSZACIVSA-N 392.477 2.525 0 1 GFAF COc1ccc2c(c1OC)C(=O)NC2=Cc1cc2c(cc1CCN(C)C)OCO2 2356663255 ZMAHFZSTFDAVRW-UHFFFAOYSA-N 396.443 2.778 0 1 GFAF C[C@]12C[C@H](O)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356667976 YACPFMQTNQLPTL-KFBVKEDOSA-N 390.520 2.575 0 1 GFAF Nc1cccc(C(=O)NCC(=O)c2ccc(C(=O)Nc3ccccc3N)cc2)c1 72175952 OSMGZEKVQDDLOW-UHFFFAOYSA-N 388.427 2.716 0 1 GFAF COc1cccc(-n2cc(COc3ccc(/C=C/C(=O)O)cc3OC)nn2)c1 1911579098 LEGYYUZEBYXXBL-VQHVLOKHSA-N 381.388 2.961 0 1 GFAF CC[C@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccccc2F)n1 82152241 DILONIFSYOCLET-AWEZNQCLSA-N 399.470 2.797 0 1 GFAF O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccncc1 40979833 WUBKOFOYQBUNOS-UHFFFAOYSA-N 382.383 2.681 0 1 GFAF CC1(C)Oc2ccc(-c3cccc4[nH]ncc34)cc2[C@]2(COC(N)=N2)C12COC2 149217210 DESFPGMIDIOQPB-JOCHJYFZSA-N 390.443 2.958 0 1 GFAF CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@H]2C1 95869619 PNIGZEQCCMCVQF-VIZSFHNOSA-N 378.472 2.570 0 1 GFAF C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 96271366 DUCSIDAKBBEPBA-HNNXBMFYSA-N 388.493 2.966 0 1 GFAF O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95869357 FPTBRZQVVOHAIN-SJORKVTESA-N 382.426 2.780 0 1 GFAF NS(=O)(=O)c1cccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587133601 VNQVTHSJTRHBRV-UHFFFAOYSA-N 388.207 2.887 0 1 GFAF COc1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1OCC(=O)NC(C)C 587218258 HHGLGVQNTGMMPQ-UHFFFAOYSA-N 395.419 2.724 0 1 GFAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(C(=O)O)cc2[nH]1 587259852 NIWFGLVHOMRKPM-HNNXBMFYSA-N 382.420 2.968 0 1 GFAF COc1cc2c(cc1OC)[C@@]1(NCCc3cc4cccc(OC)c4nc31)C(=O)N2 963060706 WEEHAWQMWLRJAU-QFIPXVFZSA-N 391.427 2.602 0 1 GFAF C[C@@H]1CCCC(=O)[C@@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963145178 NGFHGXDPAXWNGZ-AJLCLMPTSA-N 380.466 2.974 0 1 GFAF C[C@@H]1CCCC(=O)[C@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963145185 NGFHGXDPAXWNGZ-MYFIVHGGSA-N 380.466 2.974 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)OC)nc(CO)c12 1772573001 BMWWZMVYCINEDR-KRWDZBQOSA-N 399.451 2.747 0 1 GFAF O=C(O)Cc1nn(Cc2nc3cc(F)c(F)cc3s2)c(=O)c2ccccc12 13860765 OWLOTXFJBAQAHN-UHFFFAOYSA-N 387.367 2.960 0 1 GFAF CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)CCC(=O)OC)c3ccccc23)S1 169319787 HIULNWLCHNMPFA-GTNSWQLSSA-N 387.461 2.556 0 1 GFAF CN(C[C@@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 1857749185 HVYXYPWZDRWKCC-REWPJTCUSA-N 391.563 2.515 0 1 GFAF CC1=CC(=O)O[C@@H](C[C@@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)C=CCC1 253671322 JDROCHDFKUSVDQ-FXXCCUJSSA-N 397.537 2.938 0 1 GFAF CCNC[C@](O)(CCCCCCCCC[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O 2356291827 BBHSCULAZJXZJF-PXCRPINLSA-N 386.577 2.814 0 1 GFAF CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCC(=O)c1cc(C)n(C)c1C)(C3)C2 101469160 OPZIZOFSNNLOQV-UOBYYGQQSA-N 386.492 2.843 0 1 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)CC1CCCCC1 61902594 FFBWKQBGIASSOW-IBGZPJMESA-N 396.484 2.592 0 3 GFAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3nccnc23)c1F 113490369 CJNZTIKBYXKOAZ-UHFFFAOYSA-N 380.376 2.619 0 1 GFAF CC1=CC(=O)O[C@H](C[C@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@@H](C)C=CCC1 2356427673 JDROCHDFKUSVDQ-ITWBUVANSA-N 397.537 2.938 0 1 GFAF Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N[C@H](C)CNCCCc1ccccc1 26402632 BWGNSQHTELSYGX-XMSQKQJNSA-N 383.536 2.606 0 1 GFAF O=C(C1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 72177410 IRMLAZVFEBKCLD-QYZOEREBSA-N 381.476 2.598 0 1 GFAF CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(N)c4)n[nH]3)cc2)CC1 72179564 FGVKFVXORZWYDJ-UHFFFAOYSA-N 376.464 2.663 0 1 GFAF COc1ccccc1OCCNC[C@H](O)COc1c(OC)ccc2[nH]ccc12 45286749 YOHHLSJVHYTESR-HNNXBMFYSA-N 386.448 2.593 0 1 GFAF CCN1CCN(c2c(C(=O)N(CC)CC)c3ncc(C)n3c3ncccc23)CC1 45246068 FZALYFWVXNNITG-UHFFFAOYSA-N 394.523 2.815 0 1 GFAF CN(Cc1ccc(Br)cc1)Cn1nc(-c2ccncc2)oc1=O 43076621 SRQRULIKUMMUBP-UHFFFAOYSA-N 375.226 2.750 0 1 GFAF CC(=O)Oc1ccc(Cn2cc(C(=O)NCc3ccccc3)sc2=O)cc1 84687682 PKRGTLKKWSWZBY-UHFFFAOYSA-N 382.441 2.813 0 1 GFAF CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCCc1ccccc1F 95604363 LJYXGDLQKVXLQO-GOSISDBHSA-N 397.450 2.746 0 3 GFAF CC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O 95895387 HLWYRRZQOIEKTJ-BDTNDASRSA-N 384.451 2.646 0 1 GFAF COc1cc(OC(C)=O)c(C(=O)c2ccc(OC(C)=O)cc2)c(OC(C)=O)c1 238742334 UYCMEASVGMXCIM-UHFFFAOYSA-N 386.356 2.702 0 1 GFAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 257387727 BMPRGPGLZWJNOP-TWRADJAZSA-N 378.465 2.897 0 1 GFAF endogenous,in-man COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587437814 AMHALGJDIKGPFT-LHSJRXKWSA-N 384.384 2.830 0 1 GFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCCO3 587193905 IEAHWOYZSHERPD-GFCCVEGCSA-N 376.457 2.852 0 1 GFAF CCn1cc([C@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517859 WIXZFDMBTIQBGY-JOCHJYFZSA-N 396.443 2.775 0 1 GFAF O=Cc1ccc(OCCc2nc3cc(I)cnc3[nH]2)cc1 587566668 XFQNOEHZYVCCQA-UHFFFAOYSA-N 393.184 2.997 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 1772629102 LGJDXKGPQXTEED-GOSISDBHSA-N 399.441 2.815 0 1 GFAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@@H]2[C@@H](C1)CN2c1ncccn1 1772644145 WRCGNLRXMOCUCI-SWLSCSKDSA-N 378.263 2.814 0 1 GFAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N)cc2)CC1 13823996 YEBRKBPRLIBJQY-UHFFFAOYSA-N 382.508 2.610 0 1 GFAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@]2(CC[C@]3(CO[C@@H](O)C3)O2)[C@H](C)[C@H]1O 169310282 XUFKRKJXYWRSRT-RRPHXOACSA-N 396.524 2.788 0 1 GFAF CN(C)CCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1 169348281 OOKQFYPMRWKVRB-UHFFFAOYSA-N 375.436 2.605 0 1 GFAF COc1nc(Nc2ccc(S(C)(=O)=O)cc2OCCF)ncc1Cl 205927150 NDUGNGONCGGFLQ-UHFFFAOYSA-N 375.809 2.634 0 1 GFAF COC(=O)c1ccccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 7096742 MNICNOPQJRSVCP-UHFFFAOYSA-N 388.851 2.854 0 1 GFAF biogenic O=C(NC[C@H]1CCCO1)c1onc(CSc2ccc(F)cc2)c1C(=O)O 8691339 BTFBLJZPCPPPEU-LLVKDONJSA-N 380.397 2.713 0 3 GFAF Cc1cc(NC(=O)N2CCN(C)CC2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 59260769 XIGBTIXFXCZLOP-ICSRJNTNSA-N 385.556 2.837 0 1 GFAF COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@H]1C[C@@]4(O)N(C[C@@H](CC3)[C@]24C)C[C@@H]1C 2356610401 JDKFCQARUSBNFH-VBDOMFKHSA-N 395.455 2.848 0 1 GFAF Cc1ncc2c(c1-c1noc(-c3ccc(CCN4CCCC4)nc3)n1)CCNC2 20207986 NXLJCBYSWZDXHV-UHFFFAOYSA-N 390.491 2.786 0 1 GFAF C[C@H](CN(C)C)NC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 62225196 VDPJIGRDFSBMRA-OAHLLOKOSA-N 392.507 2.898 0 1 GFAF O=S1(=O)N(CC[C@@H]2CNCCO2)c2cccc(F)c2N1c1ccccc1F 72114540 HMXOXSKENXHTKZ-CYBMUJFWSA-N 395.431 2.546 0 1 GFAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(N1CC[C@H](NC(=O)c3ccccc3C)C1)C2 84635252 PAINGJCKTPURNG-HTUJPFKRSA-N 385.508 2.951 0 1 GFAF CC(C)CN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1 82214698 OAVGDODWOOXVPJ-KRWDZBQOSA-N 395.507 2.573 0 1 GFAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=C[C@@]([C@@H](C)OC(C)=O)(C1)[C@H]23 84615180 YBXUUELSZBVEKX-HZTRNQAASA-N 394.471 2.763 0 1 GFAF CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCc2ccccc2C1 95570566 IKMZHCPEAGYFNM-GOSISDBHSA-N 377.448 2.943 0 3 GFAF CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1)C(=O)C1CC1 95895273 CRBZDISXGSFFME-HBMCJLEFSA-N 378.472 2.524 0 1 GFAF Cc1cccc(CN2CCN(Cc3nc4c(s3)CCCC4)C[C@H]2CCO)n1 253981741 PRMTWBJVURFFQU-GOSISDBHSA-N 386.565 2.794 0 3 GFAF CO[C@H](C)CNC(=O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 261103196 GWGVXHYBEZQFKJ-CHWSQXEVSA-N 396.451 2.605 0 1 GFAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2C[C@@]3(O)OC(=O)C=C3[C@@H](C)[C@H]2[C@H]1O 618006279 NAUXGSWGHJVNHI-JJPFDVQMSA-N 392.492 2.569 0 1 GFAF biogenic CC1(C)OC[C@H](CNC(=O)c2cnn(-c3cccc(Cl)c3Cl)c2N)O1 299852848 YFWWZIUPMKCBAM-VIFPVBQESA-N 385.251 2.643 0 1 GFAF CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587507319 PTOFCZZDWYULTI-FXAWDEMLSA-N 378.396 2.734 0 1 GFAF COc1cccc2cc3c(nc12)[C@]1(C=C(C)N(C2CC2)C=C1C(=O)O)NCC3 963046233 IQRJZZWQSVOAMY-JOCHJYFZSA-N 377.444 2.935 0 1 GFAF COc1ccc([C@@H]2CN(c3cc(-c4ccccn4)nc4ncnn34)CCO2)cc1 1772615429 BJJXNLHTKXRFPF-IBGZPJMESA-N 388.431 2.773 0 1 GFAF CCOC(=O)CCNC(=O)CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1 14887088 YKGOMYKIGXPPJA-QHCPKHFHSA-N 396.487 2.881 0 1 GFAF CCOC(=O)[C@H]1/C(=C/N2CCSCC2)NC(=O)N[C@H]1c1cc(C)ccc1C 169690565 COLMAMLUXGBJKQ-KZLRIVJYSA-N 389.521 2.727 0 1 GFAF COc1ccc(OC)c2c1C[C@H]1c3cc4c(cc3C[C@H](C(=O)O)N1C2)OCO4 1857577811 UALULNJJLWOBMB-JKSUJKDBSA-N 383.400 2.541 0 1 GFAF CN(CCNC(=O)C=Cc1cnc[nH]1)CCNc1ccnc2cc(Cl)ccc12 1857649232 PFPYRSGSQASSMD-UHFFFAOYSA-N 398.898 2.785 0 1 GFAF O=C(O)COc1ccc(NC(=O)c2nnc(C(=O)Nc3ccccc3)s2)cc1 1857763452 KSJMETZXIKZVRQ-UHFFFAOYSA-N 398.400 2.506 0 1 GFAF CCN1c2ncc(COc3cc[n+]([O-])cc3)cc2C(=O)N(C)c2ccc(F)nc21 6385153 YVMOAVJHQOOGCA-UHFFFAOYSA-N 395.394 2.576 0 1 GFAF CC(=O)O[C@]1(C)[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@]1(C=COC1)O2 2356614587 ADJTVQDIBOKSAE-LEFDEBKBSA-N 392.492 2.916 0 1 GFAF CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(OC)c2)c1 116576397 OJDLZBPULPPWMY-UHFFFAOYSA-N 375.425 2.654 0 1 GFAF C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1c(F)cccc1F 72124570 HQFAKOFDCPYPMP-SFHVURJKSA-N 383.416 2.731 0 1 GFAF C=C(c1ccccc1OC[C@H](O)CNC(C)C)n1cnc(C(=O)OCC)c1C 40632316 AMRDNKZCKDKZFE-QGZVFWFLSA-N 387.480 2.625 0 1 GFAF COc1cc(C(=O)OCCCCOC(=O)c2ccc(O)c(OC)c2)ccc1O 49803173 IXUAYZKUQBDYPL-UHFFFAOYSA-N 390.388 2.909 0 1 GFAF COc1ccc(/C=C2\NC(=O)N(S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 49807835 IRRHOCXMCLTJCX-GDNBJRDFSA-N 392.820 2.630 0 1 GFAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cccc(F)c1F 221916827 JJBVNJOXQQKWHK-IGJMFERPSA-N 382.342 2.773 0 1 GFAF N[C@H](Cc1cc(Cl)c(Cl)c(-c2ccc(-c3nnn[nH]3)cc2)c1)C(=O)O 45350405 GVTLEOFZXYYHFP-CYBMUJFWSA-N 378.219 2.795 0 1 GFAF Cc1n[nH]c(C)c1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1 225529301 UHTIUYOUPOHHAT-UHFFFAOYSA-N 375.436 2.863 0 1 GFAF CCN1CCN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CC1=O 221265503 IGSNHHJTLGYZPS-UHFFFAOYSA-N 398.442 2.615 0 1 GFAF Cc1cc(O)c2c(C)c(CC(=O)NCC3CCC(C(=O)O)CC3)c(=O)oc2c1 20412585 VLOGMKZYJPGCIT-UHFFFAOYSA-N 387.432 2.665 0 1 GFAF biogenic CN(C)CCNC(=O)/C=C/c1ccc(/C=C2\Oc3ccccc3N(C)C2=O)s1 40847243 MNFIBODISIOKPO-OFTDCZQLSA-N 397.500 2.835 0 1 GFAF NC[C@@H](Cc1ccccc1)NC(=O)c1cnc(-c2c[nH]c3ncccc23)s1 230559744 QBCCWXSYZAJLOT-CQSZACIVSA-N 377.473 2.986 0 1 GFAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@H]1CO 95798518 JSKVKIFYXLOTBI-KBRIMQKVSA-N 379.298 2.950 0 1 GFAF COC(=O)[C@H](Cc1ccc(OC)c(OC)c1)NC(=O)/C=C/c1ccc(OC)cc1 238779399 FXMITKCQEXIIPZ-HCWHUNCVSA-N 399.443 2.626 0 1 GFAF COc1ccc2c3c1O[C@H]1C4(CC[C@@H]5[C@@H](C2)N(CC2CC2)CC[C@@]351)OCCO4 263613541 ZKNHXBONWOGIMA-ZYOFANERSA-N 383.488 2.888 0 1 GFAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cccnc4[nH]3)cccc12 586942149 HVULJLRFETYQTM-UHFFFAOYSA-N 381.461 2.656 0 1 GFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 586925072 FPRJZDWOQGUBGP-UHFFFAOYSA-N 398.366 2.542 0 1 GFAF Brc1cccn2ncc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c12 587006493 LOHPIUZYGSKXOV-UHFFFAOYSA-N 381.197 2.616 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(O)c(C(N)=O)cc31)CC2=O 587471905 WUVAULWMFRYMOS-OAQYLSRUSA-N 382.416 2.741 0 1 GFAF O=C(Cn1nnc2ccccc21)c1c(CO)oc2cc(Br)cnc12 587272715 AWRNGKOXFVQQCG-UHFFFAOYSA-N 387.193 2.710 0 1 GFAF C[C@H](c1ccccc1)c1nc(-c2cnc(N)c(-n3nnc4ccccc43)n2)nn1C 1772655079 DNOHRINNWCXLGD-CYBMUJFWSA-N 397.446 2.740 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(O)c3)nc(CO)c12 1772575611 HUPXYMOHTGRQAB-MRVPVSSYSA-N 391.815 2.701 0 1 GFAF O=C(NC1CCN(Cc2ccccc2)CC1)c1c(O)c2ccccc2[nH]c1=O 169311161 QNIZDRTWRUDVEG-UHFFFAOYSA-N 377.444 2.628 0 1 GFAF CS(=O)(=O)[C@H]1CCN(C(=O)CCSc2nc3cc(Cl)ccc3o2)C1 1857558971 NGDIQIXGBASTBC-NSHDSACASA-N 388.898 2.609 0 1 GFAF COc1ccccc1[C@@H]1CN2C(=O)CN(C)C(=O)[C@@]2(C)c2[nH]c3ccccc3c21 2127046 YFRZXQKRWIEPMR-QMHKHESXSA-N 389.455 2.838 0 1 GFAF biogenic CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2C[C@H]4C[C@@]23CC[C@@]4(O)CO)O1 2356324480 JGIRWYHXRIYAAU-KHKMNVBOSA-N 394.552 2.855 0 1 GFAF CC(=O)N1CCC(N2C[C@@H](F)[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)CC1 2356342917 FYLVHTLTKLCDMQ-YLJYHZDGSA-N 388.487 2.730 0 1 GFAF CN(C)c1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C[C@H]3CCCO3)c2n1 4239067 MKANGCOFGPCQGK-CQSZACIVSA-N 385.855 2.752 0 1 GFAF C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@]1(O)CC=C2C1=CC(=O)OC1 2356408324 CFKJENQZESXSLH-NXNXEBIUSA-N 388.504 2.639 0 1 GFAF O=C(Nc1nc(CO)cs1)N1CCC(N2CCc3ccc(F)cc32)CC1 103241467 NOMNZQYQDQXNPU-UHFFFAOYSA-N 376.457 2.834 0 1 GFAF c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)n[nH]1 28903570 QYLHCEYSEGRWNL-IFMALSPDSA-N 382.508 2.793 0 1 GFAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(N)(=O)=O)CC[C@@H]12 29133617 AOEHUXLJSHGXHN-SSTWWWIQSA-N 381.494 2.846 0 1 GFAF in-vivo CCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N(C)C)=C1C 61923413 VQGIRMIWILDZKD-HNNXBMFYSA-N 391.537 2.765 0 3 GFAF O=C(NCCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 29223903 AZVJTFOEUQTRNO-HXUWFJFHSA-N 386.517 2.730 0 1 GFAF CC=C(O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O)C(=O)O 2356474912 IBSXOQJJZICENO-QZTJIDSGSA-N 388.372 2.942 0 1 GFAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 73141546 SOTGVSFKCUIRKQ-UHFFFAOYSA-N 396.266 2.780 0 1 GFAF COc1ccc(OC[C@H]2c3ccc(OC)cc3CC(=O)N2Cc2cnn[nH]2)cc1 1911576156 UFZWHYFXAPDLCD-FQEVSTJZSA-N 394.431 2.527 0 1 GFAF CC(=O)NCCn1c(CC(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184535 SNUDMRPBDITCRO-UHFFFAOYSA-N 384.459 2.912 0 1 GFAF CN1CCC[C@H](Oc2ccnc(-c3c[nH]c4ccc(-c5nnc(N)o5)cc34)n2)C1 145440503 KOEBLNVZIKWEAL-ZDUSSCGKSA-N 391.435 2.730 0 1 GFAF CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccccc1)[C@@H](OC(C)=O)C2=O 95554282 RVCPJJPKXPNUJX-RTWAWAEBSA-N 398.367 2.785 0 1 GFAF Cn1nnc(-c2nc3cccc(I)c3[nH]2)c1C(F)F 587128347 KGLWXIXTLLKQRK-UHFFFAOYSA-N 375.120 2.901 0 1 GFAF COC(=O)c1cccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194488 UQPWZCDRVFRXAO-CQSZACIVSA-N 376.457 2.867 0 1 GFAF Nc1ncnc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc12 587156866 UOKCFWRDVFIERZ-UHFFFAOYSA-N 384.396 2.542 0 1 GFAF CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@](SC)(C(C)C)NC1=O 13430496 JXDWMFMAEDSXNI-ZWKOTPCHSA-N 377.535 2.731 0 1 GFAF biogenic O=C(NC1CCCCC1)N1CCn2c(c(O)n([C@H]3C[C@@H]3c3ccccc3)c2=O)C1 169724941 KXGVLPVQZHRNHB-MSOLQXFVSA-N 396.491 2.942 0 1 GFAF CCc1c(-c2cccc(N3CC[C@H](NCNC)C3)c2)nc(O)c2c(O)nsc12 1857611132 DAPZDNZAJRPWBR-ZDUSSCGKSA-N 399.520 2.677 0 1 GFAF Cn1cc(-c2ccc(S(=O)(=O)N3CCC(Nc4ccccn4)CC3)cc2)cn1 1857745991 IGPOWTGUXPTYAG-UHFFFAOYSA-N 397.504 2.747 0 1 GFAF O=C(Nc1ccccn1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 4909501 WQDXWABEUNBCBY-UHFFFAOYSA-N 396.472 2.669 0 1 GFAF CC(C)NC(=O)c1cn([C@H]2CC[C@@H](NC(=O)/C=C/c3cccs3)CC2)nn1 102350658 YWZMSSILNBYCSN-JCZZUMNLSA-N 387.509 2.791 0 1 GFAF CCOC(=O)[C@H](NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)C(C)C 27556615 YLZSFWCVLWBLSL-CQSZACIVSA-N 395.253 2.817 0 1 GFAF COc1ccc(-c2noc([C@H](C)NS(=O)(=O)CC(C)C)c2C(=O)O)cc1 2356476780 PKPBBQBSTVQPCD-NSHDSACASA-N 382.438 2.685 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 2356655218 BMPRGPGLZWJNOP-HVTDWHBBSA-N 378.465 2.897 0 1 GFAF c1coc(CN[C@@H]2CO[C@H]3[C@H]2OC[C@H]3Nc2nccc(-c3cccs3)n2)c1 2356851724 QIZBEUZCJGFVES-XYVMCAHJSA-N 384.461 2.535 0 1 GFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccco2)O3)c1 61895754 PFVZTKHQWRBJEL-LJQANCHMSA-N 377.400 2.920 0 3 GFAF N[C@@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3C=CCC[C@H]12 1911576984 NQQSYDXTYQLIMP-IAGOWNOFSA-N 383.423 2.887 0 1 GFAF CCCCCCN1CCN([C@H]2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1 72136704 MDFHQJIYXTZEED-FQEVSTJZSA-N 397.560 2.538 0 3 GFAF CN(C)CCCNc1ccc2c3c(cccc13)C(=O)N(CCCN(C)C)C2=O 40951087 BCNHQJNBOJKOMG-UHFFFAOYSA-N 382.508 2.751 0 1 GFAF CC(=O)Nc1cc2c(cc1NC(=O)c1cc3ccccc3oc1=O)OCCO2 40011841 MNPFBLLOXKOJKZ-UHFFFAOYSA-N 380.356 2.775 0 1 GFAF N[C@H](Cc1cc(Cl)c(Cl)c(-c2cccc(-c3nnn[nH]3)c2)c1)C(=O)O 45349476 LRMSVXGHFASGAY-CYBMUJFWSA-N 378.219 2.795 0 1 GFAF COc1ccc(OC)c(-c2csc(NCC(=O)NC[C@@H]3CCCO3)n2)c1 82193660 FGYYBKLPYAILCQ-ZDUSSCGKSA-N 377.466 2.534 0 1 GFAF CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1 95894852 PEQCJJQCTRUYBM-JAXLGGSGSA-N 382.504 2.845 0 1 GFAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 255201832 CDMVQQAHEQVSMF-VZFZSAPISA-N 390.520 2.577 0 1 GFAF CCn1cc(Br)c(Cc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)n1 587000650 OWCXOAICUSZWNO-UHFFFAOYSA-N 393.241 2.928 0 1 GFAF CC1=C(c2ccc3nc(CSc4nnc(S)s4)[nH]c3c2)NNC(=O)C1 587024441 AKZQKZSSIRHYIH-UHFFFAOYSA-N 390.519 2.751 0 1 GFAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2N1 587122221 ASBFNRYWAFHDKY-SDBXPKJASA-N 389.345 2.710 0 1 GFAF CN(C)C(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587197128 JKVQHTGVYSSSSP-UHFFFAOYSA-N 392.868 2.648 0 1 GFAF CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)CNc2ccccc2)c1 1772654080 UCROBJNWHTYECS-SFHVURJKSA-N 387.436 2.953 0 1 GFAF COc1cccc(CN2C[C@@H](C(=O)N(C)Cc3nc(C)cs3)CCC2=O)c1 12709490 KUKSWXMQNLOAQC-INIZCTEOSA-N 387.505 2.857 0 3 GFAF COc1cccc(NC(=O)C2=COC3=NC(=O)N(Cc4ccccc4)CCN23)c1 206056082 HTXGSADAINIKCL-UHFFFAOYSA-N 392.415 2.799 0 3 GFAF CNc1nc(Nc2cn(CCc3ccn(C)n3)nc2C)ncc1C(F)(F)F 205722061 BAYBJRMXCIKOGE-UHFFFAOYSA-N 380.378 2.762 0 1 GFAF CNC(=O)C(=O)NCCCC/C=C\CCCCCCCCCS(=O)(=O)O 1857564735 UIICGPJGDFLLHO-ALCCZGGFSA-N 390.546 2.584 0 1 GFAF CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2Cl)C1 5843460 SUELZMVHSJHELN-LLVKDONJSA-N 395.862 2.948 0 1 GFAF O=C(O)COc1cccc(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)c1 13440607 ZNOJLFJYJPAQFQ-UHFFFAOYSA-N 395.459 2.678 0 1 GFAF O=C(O)CSCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)Cc1ccccc1 13488396 AFVYXQHLVZPGPW-RWSYTZSNSA-N 377.506 2.735 0 1 GFAF c1ccc2c(c1)CC[C@@H]2Nc1nc(Nc2ccncc2)nc(N2CCNCC2)n1 45245399 QVDAOKRYVCHBRV-SFHVURJKSA-N 388.479 2.519 0 1 GFAF NC(=O)[C@@H]1CCCN(C(=O)CO[C@@H](c2ccccc2)c2cccnc2Cl)C1 45324669 BVBNHRUSXRBXKO-QAPCUYQASA-N 387.867 2.565 0 1 GFAF CC(=O)N1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2cccc(C)c2)CC1 82146226 CMRHJFDLDLMQGX-UHFFFAOYSA-N 393.491 2.578 0 1 GFAF C[C@@H]1CNc2c(NC(=O)C3CC3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82212327 QGPKKXDWTVVEAT-CYBMUJFWSA-N 390.443 2.547 0 1 GFAF CCN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CC1)C(=O)c1ccccn1 95895649 YIACDIBXRYVPNT-VSKRKVRLSA-N 379.504 2.783 0 1 GFAF CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(CNCCO)ccc1-2 96269637 XIKOLQVYYSWTKQ-UHFFFAOYSA-N 385.493 2.666 0 1 GFAF O[C@H](COc1ccc2[nH]ncc2c1)CN1CCN(c2ccc(Cl)cc2)CC1 143729452 NKOFOWFCZADIGL-SFHVURJKSA-N 386.883 2.778 0 1 GFAF COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1 169312509 XDSAALDVHQCISS-UHFFFAOYSA-N 394.483 2.756 0 1 GFAF C[C@]1(C(=O)NCCCn2cnc(Cl)c2)CC1(Br)Br 169347270 YWIZIHAHBHOYKQ-SNVBAGLBSA-N 399.514 2.939 0 1 GFAF CCCn1c2nc(C34CCC(C(=O)O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](CC)N2 169719752 ICGYLUFLIGIQPB-ZJDGCUJOSA-N 399.495 2.835 0 1 GFAF CNC(=O)COc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1 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385.277 2.956 0 1 GFAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1CNC(=O)C(F)(F)F 653667972 QOMVKWOSNCOMEE-LBPRGKRZSA-N 394.349 2.738 0 1 GFAF N=C(N)Nc1ccc(CNc2cnc3cc(C(=O)NC4CCCC4)ccn23)cc1 653780389 OGOFDILOPZPRIW-UHFFFAOYSA-N 391.479 2.924 0 1 GFAF O=C(O)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1O 962976779 OHHIPRMSEUZWLE-ABAIWWIYSA-N 383.734 2.710 0 1 GFAF CCCCCC[C@@]1(c2ccco2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963226057 XGDGYNXSXTUCAE-PNLZDCPESA-N 396.491 2.975 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4c(F)cccc4C3)n2)c1 1772597903 UUFCNWPTVSKERT-UHFFFAOYSA-N 378.411 2.677 0 1 GFAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@@H]2CN(c3ncccn3)[C@@H]2C1 1772644144 WRCGNLRXMOCUCI-IUODEOHRSA-N 378.263 2.814 0 1 GFAF Cc1cccc2c1CCN2C(=O)c1ccc2c(n1)N(C1CC1)[C@H](C)C(=O)N2C 1857762966 AJDTYTOJOZPUQG-CQSZACIVSA-N 376.460 2.927 0 1 GFAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 4919398 GVXRQODGFZXQMC-CYBMUJFWSA-N 379.869 2.774 0 1 GFAF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)CCc1ccccc1 13446660 LUILJFDJESPEOO-NRFANRHFSA-N 389.455 2.902 0 1 GFAF C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(F)(F)F 13760135 ZGRQGEXXUUJWQS-HNNXBMFYSA-N 391.342 2.910 0 1 GFAF CS(=O)(=O)c1ccc2c(c1)nc1n2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1 34635756 HJJAYSSCWGUPKO-ABAIWWIYSA-N 395.406 2.524 0 1 GFAF in-vivo Cc1ccc2cccc(OS(=O)(=O)c3ccc(N4CCNC4=O)cc3)c2n1 72107298 QUTPNDUKGHKOTH-UHFFFAOYSA-N 383.429 2.841 0 1 GFAF CNc1nc2[nH]c(-c3cccc(CNC(=O)C4CC4)n3)cc2c2c1ncn2C 73157073 YHNJGSISJOHCON-UHFFFAOYSA-N 375.436 2.580 0 1 GFAF O=C(N[C@@H]1COCC[C@H]1N1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1C1CC1 147411140 AGERLEDRUBMMHB-ZTFGCOKTSA-N 398.425 2.537 0 1 GFAF CN(C)C(=O)[C@H](CC1CCC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207420450 YEBYJDDEHYSRFD-INIZCTEOSA-N 386.496 2.520 0 1 GFAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(C(C)C)C(=O)C4)ncn3)c2c1 221236775 OTAWGENAELDVRK-UHFFFAOYSA-N 394.479 2.864 0 1 GFAF CC/C=C/[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 257623544 XNUWGEPKIOWLHQ-XUKWONFLSA-N 385.460 2.866 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4nc(Cl)c[nH]c-4n3)CC2)cc1 586955198 MKIJZCWMOLDAEP-UHFFFAOYSA-N 391.884 2.835 0 1 GFAF O=c1c(-c2nc3ncc[nH]c-3n2)cc(Br)cn1Cc1ccccc1 587006732 RCYFATOVPDQMIX-UHFFFAOYSA-N 382.221 2.944 0 1 GFAF C[C@@]1(CC(=O)N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347865 VJNYYWBZLDDABQ-IRLDBZIGSA-N 399.418 2.898 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)O)O2 587396668 VOSWFNJVLYWCTL-RBZFPXEDSA-N 390.436 2.623 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn4c(=O)c5ccccc5[nH]c14)[C@@H](C2)C3=O 587435898 KBFJQHJVEWBYRR-VBKZILBWSA-N 387.395 2.982 0 1 GFAF COC(=O)C(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591536 HCMCRYIRROOOGG-UTKZUKDTSA-N 382.368 2.635 0 1 GFAF COC(=O)c1cnc(-n2ncc3ccc(Cl)cc3c2=O)nc1C(F)(F)F 587652272 ZZBNJUVMCSCKNR-UHFFFAOYSA-N 384.701 2.635 0 1 GFAF O=C(OC[C@@H](O)C(F)(F)F)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccn(-c2ccc(F)cc2)n1 1772625472 RUMLZGZNEOWGME-CLWVCHIJSA-N 399.344 2.716 0 1 GFAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H]2[C@H](CC[C@]2(O)C(C)C)[C@H](C)C=C(CO)C1 2356415512 NLMJLXOEAUQIAO-VFNOWPHASA-N 380.525 2.987 0 1 GFAF C[C@]1(O)CCN(C(=O)c2ccccc2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356727734 RUPBFDUQQBBEAU-QTEQDKRBSA-N 378.472 2.920 0 1 GFAF O=C(NCc1ccco1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 6936139 CAFFYMAXMWBIHN-OAHLLOKOSA-N 394.479 2.679 0 3 GFAF CCCCN(C)C(=O)c1sc(=O)n(CC(=O)c2ccccc2OC)c1C 61926002 LXUCCDSGUDHEHR-UHFFFAOYSA-N 376.478 2.982 0 3 GFAF CN1C(=O)[C@@]2(C)S[C@]1(c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 31904794 HVPHFUKVAWYJPT-WWEWDKITSA-N 378.453 2.623 0 1 GFAF CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@](C)(CC(C)C)C2=O)cc1 45258600 VPGRKPRUHRVZER-OAQYLSRUSA-N 387.528 2.957 0 1 GFAF in-vitro COc1cccc(CCN2COc3cc4c(cc3C2=O)O[C@H]2CCCN2C4=O)c1 72173559 DODHGGIAAMMHOV-FQEVSTJZSA-N 394.427 2.685 0 1 GFAF O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1cccs1 100278388 LYXXKCLCFLXWRE-MSOLQXFVSA-N 393.468 2.986 0 1 GFAF CN1C[C@@H]2CC[C@@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 101344947 AJTUHKLZAPUJNI-NEPJUHHUSA-N 389.402 2.596 0 1 GFAF COCCOCCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)O)C1 103252354 UOYAVLSPLZCKSU-ZDUSSCGKSA-N 377.359 2.662 0 1 GFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCc3ccccc3C2)nc1 199939071 JEPWYSWSYRSGPL-UHFFFAOYSA-N 397.504 2.795 0 1 GFAF CCOC(=O)c1ccc2c(c1)[n+](=O)c(C(=O)OCc1ccccc1)c(C)n2O 205982759 WLXDRYREBCPQLN-UHFFFAOYSA-N 383.380 2.635 0 1 GFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CCS(=O)(=O)C1 587864654 RFXGYILXEZYGNP-SNVBAGLBSA-N 388.367 2.652 0 1 GFAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587969801 ADSIDPZTFGKYEF-AYMMMOKOSA-N 393.115 2.843 0 1 GFAF CC(=O)C[C@]1(C(F)(F)Br)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963031648 OJTHLFGGGJBCJP-BONVTDFDSA-N 387.224 2.902 0 1 GFAF O=C(NCc1ccc(F)cc1)c1c[nH]c2cc(N3CCOCC3)cc(F)c2c1=O 1857630599 UPQLPWSRKGEZBE-UHFFFAOYSA-N 399.397 2.573 0 1 GFAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@H]1C 2356319436 GJORWROGMGCRDL-ANNALCPGSA-N 378.557 2.963 0 1 GFAF CC(C)CCCCCCCCC=CC[C@H](OS(=O)(=O)O)[C@@H](O)[C@H](N)CO 2356440416 AMKJRXWVNVNVKO-SQNIBIBYSA-N 395.562 2.578 0 1 GFAF CC(=O)O[C@]1(C)[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2 2356614586 ADJTVQDIBOKSAE-HFDGIODVSA-N 392.492 2.916 0 1 GFAF Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)nc1 6867827 IEEWQLVGYSRJLO-UHFFFAOYSA-N 379.468 2.635 0 3 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)CC1CCCCC1 61897164 OGXJYCJDWWLTTK-KRWDZBQOSA-N 384.523 2.514 0 3 GFAF COCCNC(=O)[C@@]1(C)CCN(C(=O)c2cc(-c3cccs3)oc2C)C1 206049090 PZZCBHGRIQSKOU-IBGZPJMESA-N 376.478 2.931 0 3 GFAF COC(=O)/C=C1\CC[C@@H]2[C@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 263591390 AHLOUXATKVXJKD-SJIRGNEOSA-N 392.467 2.940 0 3 GFAF CC[C@H]1CCCCN1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O 4110918 ASNFVNZYXGVLQU-IBGZPJMESA-N 382.508 2.681 0 3 GFAF NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCCc2ccccc2)O3)c1 61926122 IKIJCRHYVBSMDU-HXUWFJFHSA-N 387.439 2.510 0 3 GFAF CNC[C@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(Cl)c1 114344422 KTEVQEUEMLYYMP-INIZCTEOSA-N 385.855 2.763 0 1 GFAF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccco1)CC2 28088062 HMZJJUSCHHAIOE-UHFFFAOYSA-N 386.492 2.789 0 1 GFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@@H]3C)n1 218835328 VRVGLEWHAKZMDU-MRVPVSSYSA-N 376.392 2.600 0 1 GFAF COc1cc([C@@H]2C[C@]2(CO)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC 95597409 ZRQIJJNHVZOBLL-HTAPYJJXSA-N 385.460 2.803 0 1 GFAF Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Cl)nc1 146801886 NWYXETFNIUDPRH-UHFFFAOYSA-N 380.901 2.623 0 1 GFAF Cc1ccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O3)cc1 95710901 FPYFRAAYXDWLDR-WWMYMODYSA-N 397.519 2.839 0 1 GFAF O[C@@H]1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)C1 96168695 HVILSGRVBCTAOP-QGZVFWFLSA-N 391.475 2.644 0 1 GFAF COc1cc(CN(C)C)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 377848962 QMHQSXNMSZVFJE-UHFFFAOYSA-N 378.428 2.975 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2C[C@]3(CC[C@@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587591084 BCSFBBNVNMWGDN-OFTGDAMCSA-N 395.411 2.565 0 1 GFAF O=C(OCc1ccccc1)N1CCC(c2cnc3nc(O)nc(O)c3c2)CC1 587558877 UZLQBPCMHXAQOS-UHFFFAOYSA-N 380.404 2.952 0 1 GFAF N=C(N)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586955380 PROCICOVLRUMCA-UHFFFAOYSA-N 389.868 2.562 0 1 GFAF O=C(O)C[C@H](O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586890217 NDNOHCYKXICRMJ-ZCFIWIBFSA-N 383.120 2.602 0 1 GFAF CN(C)CCOc1ccc(Nc2cc(-n3ncc4ccccc43)ncn2)nc1 1772573345 AEBNOAWQIVZRLB-UHFFFAOYSA-N 375.436 2.895 0 1 GFAF COc1ccccc1NC(=S)[C@@H]1C(=O)c2sccc2N(C)S1(=O)=O 5993257 KODUBIAZYBOJLW-AWEZNQCLSA-N 382.488 2.527 0 1 GFAF O=C1CC[C@@H](C(=O)N2CCC(CCO)CC2)CN1Cc1ccc(Cl)cc1 12073122 SEHGMEKWZDXYLP-QGZVFWFLSA-N 378.900 2.700 0 3 GFAF CNC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1 14949235 RXOGENJPRMPUAI-UHFFFAOYSA-N 389.459 2.903 0 1 GFAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3nccn3C)c2)c2cncnc21 169707989 SDFZMPSRFZDUBP-UHFFFAOYSA-N 389.419 2.624 0 1 GFAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N[C@@H]4CCNC4)cc3)sc2n1 1857585019 VOPQPJMIZQEASZ-MRXNPFEDSA-N 395.532 2.933 0 1 GFAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 769348 RHXVUHHGYPGFGP-QGCDCVKKSA-N 394.519 2.911 0 1 GFAF CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)cc1 4205876 MUHFMBNRTCIPDH-IEBWSBKVSA-N 388.851 2.939 0 1 GFAF COc1ccc(-c2nc3cnc(OC)nc3n(-c3ccc(OC)cc3)c2=O)cc1 4238780 RBSBKGUZQXFDHP-UHFFFAOYSA-N 390.399 2.869 0 1 GFAF C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C/N=c2\c(N3CCCC3)c(O)c2=O)cc1 103009144 SEDJGOBAIVRBMG-FKQBYMHLSA-N 395.503 2.638 0 1 GFAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccco2)O3)cc1 61905341 XCTZQCZCELBESS-LJQANCHMSA-N 377.400 2.920 0 3 GFAF CC(C)NC[C@H](O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1 25970989 ADDQCNYUROCHIW-FQEVSTJZSA-N 397.581 2.962 0 1 GFAF O[C@@H]1[C@H](NCc2ccc(-c3ccccc3)cc2)[C@H]2CO[C@@H](O2)[C@@H]1N1CCCCC1 2356835583 KTCDNDIUPOEMCT-RMRNXIRCSA-N 394.515 2.782 0 1 GFAF COC(=O)C(=C(/C)c1cc(OC)cc(OC)c1)/C(=C\c1cccnc1)C(N)=O 40891721 RSTKORMEFCGCQS-BJWNJASRSA-N 382.416 2.614 0 1 GFAF O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccnc1 95794300 SWHKUAAZNARFDV-DHIUTWEWSA-N 399.494 2.937 0 1 GFAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 299878599 JIVFPOLGVJBIKA-LXGCGDOSSA-N 384.480 2.504 0 1 GFAF Nc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1N 587118009 IMWDWMIRRSHXPW-UHFFFAOYSA-N 389.179 2.948 0 1 GFAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587256676 MKFDUFADRSCQHO-ZCFIWIBFSA-N 379.770 2.578 0 1 GFAF COc1cc2c3c(c1)OC1([C@H]4COC[C@H]1CN(Cc1ccccc1)C4)[C@@H](C2)C3=O 587445730 XTOQKGCWBRTYKJ-GGPKGHCWSA-N 391.467 2.960 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 586945962 DUCKDFSVLUTUIO-CQSZACIVSA-N 397.460 2.564 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@](CSCC(=O)O)(c3ccccc3)c3cccc1c32 963018997 DFEYBECPNKKGBH-SPLOXXLWSA-N 382.485 2.801 0 1 GFAF CC(C)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)cn1 1772620373 JMIWZAWCWVRGMD-IRXDYDNUSA-N 391.479 2.944 0 1 GFAF O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NC1CCCCC1 920459 WZXZSZULELYURT-UHFFFAOYSA-N 382.508 2.831 0 3 GFAF CC1(C)OC[C@](CO)([C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@@H]3CC[C@H](O)[C@@]4(C)CO)C2)O1 2356408831 QQACSPRYRQAXGF-NFSHQBGTSA-N 380.525 2.633 0 1 GFAF NC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 6620072 UOIBKMXCQONFQI-INIZCTEOSA-N 379.445 2.891 0 3 GFAF aggregator C[C@@H]1CCCCN1CCCNC(=O)Cn1c(=O)c2cccn2c2ccccc21 6782341 WWVDWQJWSHUISM-QGZVFWFLSA-N 380.492 2.635 0 3 GFAF CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356395961 XYEPBXVKFWDSRA-QWHCGFSZSA-N 376.432 2.775 0 1 GFAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 101065363 JBJWLRHFBRZPOP-GFCCVEGCSA-N 383.404 2.590 0 1 GFAF COc1cccc2nc(C[C@H]3CN(C4CCOCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356577711 NDMZDRRQMKQJPG-CABCVRRESA-N 387.480 2.706 0 1 GFAF O=C(NC1CCCCC1)[C@@H]1O[C@H](CCN2CCc3ccccc3C2)CC[C@H]1O 2356837983 LPDMWMYWPNLVTL-BHDDXSALSA-N 386.536 2.792 0 1 GFAF COCCN1CCn2c(cc3cc(OC4CCN(C(C)C)CC4)ccc32)C1=O 64528386 IPFHLWSNKYSNJW-UHFFFAOYSA-N 385.508 2.995 0 1 GFAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccncc2)O3)c1 61902757 HPFJNYDEMUTJJT-HXUWFJFHSA-N 388.427 2.722 0 3 GFAF Cc1cnc(Nc2cnn(C)c2)nc1CCc1ccccc1C1(C(N)=O)CC1 211028790 CGZLZECJBWFVRE-UHFFFAOYSA-N 376.464 2.564 0 1 GFAF Cc1c(-c2cccc(C(=O)N3CCOCC3)c2)c(=O)oc2c(C=O)c(O)ccc12 221058219 DVXKLDSNBLHAHW-UHFFFAOYSA-N 393.395 2.759 0 1 GFAF S=C(Nc1ccc(Cn2cncn2)cc1)Nc1ccc(Cn2cncn2)cc1 82052434 RKTGTULLMRBXQJ-UHFFFAOYSA-N 390.476 2.775 0 1 GFAF CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 82140897 PKHZZPQCBZZQHS-HIFRSBDPSA-N 399.470 2.513 0 1 GFAF C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccccc1N 82083135 UIRCBPZJAFDZOD-CYBMUJFWSA-N 395.488 2.904 0 1 GFAF Cc1cnc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 142521523 KJEQLJODGLWFGB-UHFFFAOYSA-N 394.928 2.932 0 1 GFAF CC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1C(C)=O 95871706 VSSLUMFLNCMGMA-FSSWDIPSSA-N 384.451 2.646 0 1 GFAF Sc1nc(S)c2nc(-c3cncc(I)c3)[nH]c2n1 587185328 RUFHNYHNWJZYAZ-UHFFFAOYSA-N 387.231 2.597 0 1 GFAF NS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587609072 UPHIXCYWKDCNJB-FXAWDEMLSA-N 397.408 2.743 0 1 GFAF COC(=O)[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804230 DBOSHWMADDOPMV-XYZCENFISA-N 384.245 2.860 0 1 GFAF Cc1sc2c(c1C)CCN[C@]21CC(=O)Oc2c1c(=O)n(C)c1ccccc21 963029233 RGIXPXRNUZWLPX-NRFANRHFSA-N 380.469 2.915 0 1 GFAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](C(=O)O)(c2ccco2)N1 962926000 KWSOXFZTGBCRJO-UWJYYQICSA-N 395.367 2.705 0 1 GFAF CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2Cl)C1 5843375 SUELZMVHSJHELN-NSHDSACASA-N 395.862 2.948 0 1 GFAF CCOc1ccc([C@@H](CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OCC 13757395 WTGUYKUCSLEJTB-MRXNPFEDSA-N 382.416 2.697 0 1 GFAF CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCCC1=O 13862040 NMNAOJJBVJBYML-LSDHHAIUSA-N 388.489 2.520 0 1 GFAF CC(C)NC(=O)N1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@@H]2C1 6616594 SYPRRHGLTPLKNZ-IBGZPJMESA-N 392.459 2.550 0 1 GFAF biogenic CN(C)CCCn1nc2n(c1=O)-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27324342 XIAFSBCFOBIDRV-UHFFFAOYSA-N 395.894 2.990 0 1 GFAF C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccsc3)c(=O)n21 82211023 OGAFWQIBRDUHCC-LBPRGKRZSA-N 386.452 2.858 0 1 GFAF CC(C)(Cc1ccc2ccccc2c1)NC(=O)CCCn1ccc(=O)[nH]c1=O 84759332 MFACTHNJCQCJCZ-UHFFFAOYSA-N 379.460 2.608 0 1 GFAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2=O)cc1OC 96928912 QRGKPOPVNCKENP-UHFFFAOYSA-N 384.384 2.660 0 1 GFAF COc1ccc(NC(=O)CSc2nc3ccc(N(C)C)nc3[nH]2)cc1OC 299820701 HNOYXWOVAKNPLP-UHFFFAOYSA-N 387.465 2.772 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 587044176 RASZVHVULBCQPY-UHFFFAOYSA-N 388.474 2.524 0 1 GFAF COC(=O)c1ccnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12 587125747 SZZLPOPOIUGWCR-GMSGAONNSA-N 380.330 2.916 0 1 GFAF Nc1ccc(-c2ccc3nc(-c4cc(S(N)(=O)=O)ccc4F)[nH]c3c2)cc1N 587140164 CWGSELJYUOOXIX-UHFFFAOYSA-N 397.435 2.848 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1cccc(C)n1)CC2=O 587483837 GBOVRPNREDIZDY-HXUWFJFHSA-N 389.473 2.953 0 1 GFAF CCOC(=O)[C@@]1(c2nccn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587756993 UBCITUGNKXACJQ-BMLIUANNSA-N 396.260 2.663 0 1 GFAF COc1c(O)ccc(C=CC(=O)O)c1-c1c(C=CC(=O)O)ccc(O)c1OC 2356596103 FFSVVNFOFBUPFY-UHFFFAOYSA-N 386.356 2.978 0 1 GFAF COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@@]2(C)C(=O)N[C@H](C)C(=O)N12 61931340 HIXJPWLVDINEFV-APJXDKFVSA-N 392.455 2.648 0 3 GFAF COCCOc1cnn2ncc(-c3ccnc(Nc4cccc(OC)c4)n3)c2c1 13582773 IEKJNVAHFVQHKN-UHFFFAOYSA-N 392.419 2.964 0 1 GFAF O=C(CSCc1cc(O)n2ncnc2n1)Nc1cccc(C(F)(F)F)c1 21093298 ZDNWQYJYJJSUOO-UHFFFAOYSA-N 383.355 2.721 0 1 GFAF O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] 28861754 RIDRYNQDWAPQOS-UHFFFAOYSA-N 376.262 2.696 0 1 GFAF Cc1cc2c(s1)c1cnn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c1n2C 36380404 MKWMMOWYGMZVTJ-UHFFFAOYSA-N 387.486 2.710 0 1 GFAF Cn1cc(N)cc1C(=O)NCCn1nc2c3c(cccc31)C(=O)c1ccccc1-2 49803680 FZXSFJQSRFMLGQ-UHFFFAOYSA-N 385.427 2.598 0 1 GFAF CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 82210438 IMTDZESDWNXSKP-KRWDZBQOSA-N 390.443 2.687 0 1 GFAF CC(=O)N(Cc1cccc(F)c1)C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(C)=O 95871830 DAYWJZKJBOAJTK-BHDDXSALSA-N 384.451 2.550 0 1 GFAF O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccccc1 95898433 QTYAKTFIIZKPHO-FPOVZHCZSA-N 376.460 2.915 0 1 GFAF O[C@@]1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1 117656872 PKUYPRFEWPYLAU-QFIPXVFZSA-N 389.459 2.828 0 1 GFAF COc1cc([C@H]2Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)[C@@H]2O)ccc1O 138614143 QAZCZCMLSVHNIX-LEWJYISDSA-N 386.400 2.998 0 1 GFAF CC1(C)Oc2ccc(-c3cc(O)cc(F)c3)cc2[C@@]2(COC(N)=N2)C12COC2 148952941 XLOPHQHRSBOSNE-NRFANRHFSA-N 384.407 2.926 0 1 GFAF Cc1cccc(N[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2c2ccccc2)c1 225837197 BDZKULQRRABEFU-VQTJNVASSA-N 396.516 2.997 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442674 KKLAKTHVVRYQON-ZHRRBRCNSA-N 380.396 2.779 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C2)C3=O 587447499 AOQPZJCXTKQUSO-JXFKEZNVSA-N 387.457 2.608 0 1 GFAF Cn1nc(C(=O)NC2CC(F)(F)C2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21 1857767035 CWVGBFDKAQZNFM-UHFFFAOYSA-N 397.389 2.538 0 1 GFAF CC(C)NC(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356287355 HQDAZGPRTONRNK-AOIWGVFYSA-N 391.443 2.639 0 1 GFAF COC(=O)[C@H](c1[nH]nc2ccccc12)[C@@H](C(=O)OC)c1[nH]nc2ccccc12 1619806 RFOAQAFAYCWQCW-IYBDPMFKSA-N 378.388 2.653 0 1 GFAF CN1C(=O)N[C@@H](c2cccnc2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 2502281 FOMXGRXQNHKVHM-HUBLWGQQSA-N 385.367 2.589 0 1 GFAF CCC[C@@H](O)CN1CC(C)(C)CN(C(=O)c2ccc(SC)cc2)CC1=O 105851183 JIGVBHCKVZBZBZ-MRXNPFEDSA-N 378.538 2.880 0 1 GFAF COC1=Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CN12 100740225 AQFNDEWRDMRIMD-KRWDZBQOSA-N 375.476 2.587 0 1 GFAF CN(CCOc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1nc2ccccc2o1 101317482 APVFEGIBRJEXFH-HNNXBMFYSA-N 379.416 2.548 0 1 GFAF COc1ccc([C@]2(Cc3cc[n+]([O-])cc3)CCNC2=O)cc1OC1CCCC1 27326915 PSGLYQZWECIEDQ-JOCHJYFZSA-N 382.460 2.650 0 1 GFAF COc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](NC(C)=O)[C@H]2c2ccccc2)cc1 2356770426 QCOOOIUTVJWVIA-URVUXULASA-N 382.460 2.538 0 1 GFAF CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)Cc1ccccc1C(=O)O2 40950057 IINBYWSKVUDFBN-UHFFFAOYSA-N 385.508 2.772 0 1 GFAF CC(C)Oc1ccc(-c2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 45387459 JTESHEKKDNFGIY-QGZVFWFLSA-N 392.411 2.542 0 1 GFAF CC[C@H](CNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1ccccc1 618013967 GOECOLXFQMXWTH-KALAIVBUSA-N 380.492 2.504 0 1 GFAF Nc1ccccc1C(=O)C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O 473083536 OKMKDLMFMDBCGW-HSZRJFAPSA-N 383.407 2.790 0 1 GFAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)c(Cl)c1)(C(O)O)[C@@H](C2)C3=O 587422083 PDSPHACXVJBDBC-VOJFVSQTSA-N 381.211 2.956 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C=NN(CCC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587436266 PBCFSADEJNGIEJ-YCRPNKLZSA-N 378.384 2.619 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120178 BHBDJIUAILKEDU-UHFFFAOYSA-N 381.339 2.772 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(NS(C)(=O)=O)c1)O2 587409662 NJJSLAMIFMMMDJ-SFHVURJKSA-N 376.434 2.535 0 1 GFAF CCCn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2ccccc2c1=O 587655120 RYJAJNNQRDJCLP-UHFFFAOYSA-N 394.818 2.858 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586902195 VOSKLZPQOOLWLM-UHFFFAOYSA-N 397.412 2.862 0 1 GFAF CC(C)(O)CNC(=O)c1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)cc1 165648737 JNSVDICDJAOHNA-UHFFFAOYSA-N 378.432 2.607 0 1 GFAF Cc1cc(C)n(-c2nc(=Nc3ccc(Cl)c(C(F)(F)F)c3)nc(NN)[nH]2)n1 1857576023 CBURLVUZHNXWGR-UHFFFAOYSA-N 398.780 2.797 0 1 GFAF COc1cc(CNC(=O)c2c(O)c3cc(F)cc4c3n(c2=O)[C@H](C)CC4)ccn1 1857568768 YZQKOULGQZJPQH-LLVKDONJSA-N 397.406 2.687 0 1 GFAF CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)c2ccco2)C1 4202207 WXLSIYMEIXMMRJ-WMZOPIPTSA-N 385.464 2.578 0 1 GFAF C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC(C)(C)O2 5070122 JFZUFAXWLMYIJR-AYBZRNKSSA-N 389.540 2.737 0 1 GFAF CNC(=O)[C@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc23)C1 6945038 DSGQXSWGJCTXKU-INIZCTEOSA-N 378.480 2.703 0 1 GFAF CCCCOCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 28476806 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587167023 FJSGCUKCIGPWLL-UHFFFAOYSA-N 375.410 2.973 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1cnc4cnc(Br)cn14)[C@@H](C2)C3=O 587417747 PSORMGJZHPJPLG-DYZYQPBXSA-N 386.205 2.989 0 1 GFAF C[C@@H](/C=C/C(=O)O)[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587825219 BQHRJWGVIZHDJK-IEMIALBUSA-N 386.217 2.679 0 1 GFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 1772649861 HCQVQBXXPBUIQW-CYBMUJFWSA-N 392.198 2.831 0 1 GFAF O=C(O)C1CCC(C(=O)N2CCc3nc(-c4ccccc4)nc(O)c3C2)CC1 1857617789 MQQQKSRCNPESTA-UHFFFAOYSA-N 381.432 2.625 0 1 GFAF COc1ccc2c(c1)nc1n2[C@H](CNCc2ccc(NC(C)=O)cc2)COC1 2356299282 DQHJAYHPJXNIDF-QGZVFWFLSA-N 380.448 2.864 0 1 GFAF CC[C@H](C)[C@H](CO)NC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 2356700104 VIZINIYQOKUJPM-PJFSTRORSA-N 396.491 2.666 0 1 GFAF O=C(NCCCC[C@H](CO)NC(=O)c1ccccc1F)c1ccccc1F 2356848357 PEAVZWRDBHEMHS-CQSZACIVSA-N 376.403 2.656 0 1 GFAF O=C(CC1=CC(=O)O[C@@H]2C=C(O)C=C[C@@H]12)NC1CCN(Cc2ccccc2)CC1 100900327 CWMJQAWGJPECRR-LEWJYISDSA-N 394.471 2.637 0 1 GFAF COCCNc1nc(Nc2cc(Cl)ccc2OC)nc(N2CCCC2)n1 28824324 SWPVQEJKIVAPAS-UHFFFAOYSA-N 378.864 2.936 0 1 GFAF C[C@@H]1CN(c2c(F)c(Cl)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1 29400253 RVJKCSNLPGSSDG-MRVPVSSYSA-N 397.809 2.764 0 1 GFAF COc1ccc(Oc2ccc3c(O)c(C(=O)NCC(=O)O)nc(C)c3c2)cc1 114019266 JPXYINYXIDIDQY-UHFFFAOYSA-N 382.372 2.864 0 1 GFAF CCNC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218976719 ABHOHBUEUBKBOY-NFHUAXAMSA-N 399.535 2.885 0 1 GFAF Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c2ccccc2n1 195477416 QBQHUVDMGOWVFY-FQZPYLGXSA-N 375.428 2.679 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2CNC(=O)NC(C)C)cc1 95894906 KWZBXTRLWPNDOY-OOMWFENUSA-N 399.535 2.883 0 1 GFAF O=C(CN1CCN(CCC2CCOCC2)CC1)NC12CC3CC(CC(C3)C1)C2 95589636 PVKZMELDKXQVES-UHFFFAOYSA-N 389.584 2.506 0 1 GFAF CC(C)NC(=O)c1nn(-c2ccc(OCCF)cc2)c(=O)c2c(N)scc12 96929710 YQOKUJTYFHYECM-UHFFFAOYSA-N 390.440 2.516 0 1 GFAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4c[nH]nc4c3)c2)c1 653857028 NKXGIHPQELIWNB-UHFFFAOYSA-N 387.399 2.888 0 1 GFAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 586950607 ZVPQHWQTBOHJKO-UHFFFAOYSA-N 385.424 2.850 0 1 GFAF O=S(=O)(c1ccc(Cl)c(-c2nc3cnc(Cl)[nH]c-3n2)c1)N1CCC1 586955900 PHQLCJOVSNIMRE-UHFFFAOYSA-N 384.248 2.673 0 1 GFAF CS(=O)(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984970 WVYLAAVHPSFTJA-CYBMUJFWSA-N 394.294 2.971 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1cc(S(N)(=O)=O)c(C)cc1C)[C@@H](C2)C3=O 587447543 BQXCVJCBABBZFN-YWZLYKJASA-N 387.457 2.622 0 1 GFAF NC(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581054 UWBBWHYKLRXRQU-UGKGYDQZSA-N 391.379 2.959 0 1 GFAF C[C@]1(c2cccc(S(C)(=O)=O)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962762636 JSXQISWJMZKWGC-FUHWJXTLSA-N 397.418 2.999 0 1 GFAF COC(=O)C[C@@]1(c2ccc(O)cc2)NCCc2cc3cccc(OC)c3nc21 963059022 RWPIRWOQAOSCMG-QFIPXVFZSA-N 378.428 2.901 0 1 GFAF NC(=O)c1ccccc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1 1772655696 YNWKCJAMKOPCOE-UHFFFAOYSA-N 390.447 2.899 0 1 GFAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCC(Cc3ccccc3)CC2)c1 1772638032 IYJYZOJIOGICFK-KTKRTIGZSA-N 391.471 2.762 0 1 GFAF Cc1n[nH]c(C)c1CN(C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11708192 CXBYWIFYVNRLEL-QGZVFWFLSA-N 386.471 2.605 0 3 GFAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 13560129 NWSVOKGXCYCZTI-UHFFFAOYSA-N 391.462 2.796 0 1 GFAF CCN1C(=O)c2cc(OC)c(OC)cc2[C@@H]2[C@H]1c1cc3c(cc1[C@@H]2O)OCO3 13652371 LDEMLSOCGPDWMJ-AQNXPRMDSA-N 383.400 2.780 0 1 GFAF COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)P(=O)(O)O)cc2)cc1 13680269 BZVYQWLRCHLAGK-KRWDZBQOSA-N 399.405 2.800 0 1 GFAF in-vivo COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13OC[C@@H](C[C@@H]21)[C@@](O)(C(C)C)[C@@H]3O 16971580 HRQUJKIMIXCOBO-HGDCFXMQSA-N 380.525 2.919 0 1 GFAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)CCCC(=O)O)/C=C/C(=O)O1 169354437 MOGVXKCDKQZYPO-OSCBLGBGSA-N 394.464 2.768 0 1 GFAF C[C@@H](NC(=O)c1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1)C(N)=O 205461655 VYEICOPPQCHSRF-SNVBAGLBSA-N 391.456 2.697 0 1 GFAF CC(C)[C@@H](CN1CCC(C(F)F)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857747265 MPNCHWUZBHIVPY-RTBURBONSA-N 395.494 2.524 0 1 GFAF Cc1ccnc(NS(=O)(=O)c2ccc(-n3sc4ccccc4c3=O)cc2)n1 5889198 SQIFHLGYGODHJF-UHFFFAOYSA-N 398.469 2.951 0 1 GFAF CCNCC(=O)Nc1cccc2c1C(=O)c1c-2n[nH]c1-c1ccc(OC)cc1 13492130 OEXAXFOGYWGIRV-UHFFFAOYSA-N 376.416 2.845 0 1 GFAF COc1ccc(CNc2nc(N3CCC[C@@H]3CO)nc3c2ncn3C(C)C)cc1 13834644 KTBJYVKCWKFJRD-MRXNPFEDSA-N 396.495 2.989 0 1 GFAF CC1(C)OC(=O)[C@@]2(COc3ccc4c(=O)cc(-c5ccccc5)oc4c32)[C@H]1O 15257296 GSGHBAQDHGCTPP-SIKLNZKXSA-N 378.380 2.787 0 1 GFAF biogenic COc1ccc([C@@]23OC[C@]24[C@@H](CO)[C@@H]4Cc2cc(OC)c(OC)cc23)cc1OC 28219760 IJIWCXXEKDKLBN-DODAUVCRSA-N 398.455 2.776 0 1 GFAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cc2ccccc2[nH]1 34083157 SGBHMXGRFPBWCM-OAHLLOKOSA-N 375.428 2.724 0 1 GFAF NC(=O)c1cccc(Cn2cnc(-c3ccnc(N)n3)c2-c2ccc(F)cc2)c1 40428766 YEACRCHNIHTVAC-UHFFFAOYSA-N 388.406 2.876 0 1 GFAF O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCCC2)CC1 43202374 NDQLDTNYXPALFM-OAQYLSRUSA-N 389.584 2.744 0 1 GFAF C[C@H]1CCC[C@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 45189486 ZYNKPRJYGBZGAV-YDHLFZDLSA-N 394.459 2.608 0 1 GFAF CCN(CC)CCNc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O 45496781 HYADEEHNVMOUBK-UHFFFAOYSA-N 382.508 2.751 0 1 GFAF O=S(=O)(c1cccc(F)c1)c1cc(F)c2c(c1)CCC[C@H]2CNCCO 49793062 JJPCTRXMGQQSCC-AWEZNQCLSA-N 381.444 2.799 0 1 GFAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@H]1CO 95864487 JSKVKIFYXLOTBI-XKQJLSEDSA-N 379.298 2.950 0 1 GFAF Cn1cc(C2=NC(=O)N[C@H](c3ccc(C(=O)O)c(O)c3)[C@H]2c2ccsc2)cn1 169702751 DYZHMEZHAFZSRU-HZPDHXFCSA-N 396.428 2.923 0 1 GFAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F 220707215 DRFNXSLLFSRQGB-QMTHXVAHSA-N 392.862 2.992 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 586953591 VNIKXZIEWPPBFV-UHFFFAOYSA-N 376.404 2.975 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Br)nc2[nH]1 587231176 MIOFSFKUCWAAPB-WDEREUQCSA-N 381.274 2.757 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3cccc(C(=O)O)c3[nH]2)CCC(O)CC1 587236639 CBFGJKOTMSQWMF-UHFFFAOYSA-N 375.425 2.916 0 1 GFAF C/C=C\C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433965 YHQVEGALQGUTEE-NSLPKQNKSA-N 383.444 2.737 0 1 GFAF C=CN1CC[C@H]([C@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587438843 ROPPFRBAGWBODQ-DMPWYTOCSA-N 376.412 2.725 0 1 GFAF CCOC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587582562 PUVNJVUKDCGNAD-RXVVDRJESA-N 394.383 2.855 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587834622 LRGUJQUHBJCISP-QAGHZCBJSA-N 386.261 2.917 0 1 GFAF O=C(C[S@@](=O)Cn1cc(Cl)cn1)n1nc2cc1Oc1ccc(F)cc1-2 587876960 YJMFYPYWUAMZST-RUZDIDTESA-N 380.788 2.691 0 1 GFAF COC[C@@H]1OC[C@]2(C)[C@H](CC[C@]3(C)[C@H](CC(=O)N4CCCC4)[C@@H](O)CC[C@@H]32)O1 2356313797 BQOPDVGGLLQQJE-LFAVWFGJSA-N 395.540 2.580 0 1 GFAF CCCO[C@]12[C@@H]3CC(=O)N4c5ccccc5[C@]5(CCN6CC(=CCO3)[C@H]1C[C@H]65)[C@H]42 2356582530 LXCWOJFHNGQUTF-NHXPLCAWSA-N 392.499 2.642 0 1 GFAF O=C(NCCCc1ccncc1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12430191 NLSIYZYVQNZCPP-LJQANCHMSA-N 383.467 2.751 0 3 GFAF COCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 3061480 BJYRINNUQDRHGN-HXUWFJFHSA-N 395.459 2.768 0 3 GFAF COc1ccc(OCc2ccc(C(=O)O)cc2)cc1Cc1cnc(N)nc1N 3641194 LQSJMSFERWVWGU-UHFFFAOYSA-N 380.404 2.518 0 1 GFAF CC[C@](C)(C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)c1cnccn1 4571308 MXCVMCNSLBLUAO-LAUBAEHRSA-N 388.512 2.715 0 1 GFAF O=c1c(Cc2ccccn2)cc(-c2ccccc2)nn1CCCN1CCOCC1 103220438 LYUDFXMLCNAOAM-UHFFFAOYSA-N 390.487 2.618 0 1 GFAF CCOC(=O)c1cc(O)c(OCc2cc(=O)oc3cc(OC)ccc23)c(O)c1 103285894 HREOWBGPMICHRA-UHFFFAOYSA-N 386.356 2.969 0 1 GFAF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(OC)cc2)=N1 101341296 MRIGXBXXAGIPMT-RDJZCZTQSA-N 390.395 2.652 0 1 GFAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccccn3)CC1)OCC2 27891779 GOFDACCTVUYXLK-IBGZPJMESA-N 383.492 2.925 0 1 GFAF C[C@H]1CC[C@H]2[C@H](CN3CCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@@H](N3CCCC3)[C@@H]12 27086210 HPVDMHVBTFPXQO-YKAXECECSA-N 388.552 2.730 0 1 GFAF CC[C@H]1C[C@H]2N3CCc4c([nH]c5ccc(OC)cc45)[C@@]2(C(=O)OC)C[C@H]1[C@@H]3CO 2356642955 AHWBYIVXFGPCHZ-WJHGBJRRSA-N 398.503 2.625 0 1 GFAF OC[C@@H]1CCCCN1CCNc1nncc(-c2cccc(C(F)(F)F)c2)n1 23310436 BTPTVSAEGPYGEF-HNNXBMFYSA-N 381.402 2.816 0 1 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1CC[C@H](N)C1 1911582248 QKGCYDDFOYLWNM-UWVGGRQHSA-N 379.346 2.667 0 1 GFAF CN(Cc1ccccc1Br)Cn1nc(-c2ccncc2)oc1=O 42965969 HREUMFGKDIFHCE-UHFFFAOYSA-N 375.226 2.750 0 1 GFAF CC(C)(Cc1cc(F)cc(F)c1)NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2 45253197 GPMLMUUTSBYUPA-INIZCTEOSA-N 392.402 2.646 0 1 GFAF COC(=O)N1c2ccc(OC)cc2[C@@]23CCN4CC=C[C@]5(CC[C@]12CC5=O)[C@H]43 238778037 CYUZSEQCIVFSOF-BDKRGJGYSA-N 380.444 2.655 0 1 GFAF C=Cc1c(C)nn(C[C@@H](C)CN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 473117983 JKGAALSRNCXJLU-KRWDZBQOSA-N 381.524 2.544 0 1 GFAF O=C(COC(=O)Cc1ccc(O)cc1)N=c1c2c([nH]c3ccccc13)CCCC2 653842860 PHSRKEFFSKISFF-UHFFFAOYSA-N 390.439 2.966 0 1 GFAF N=c1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)c[nH]1 587253827 RGCLCUSBPSGURN-UHFFFAOYSA-N 383.047 2.881 0 1 GFAF O=C(O)CC[C@@]1(c2ccc[nH]2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962631555 ILUSJCIIYOAPCO-CXAGYDPISA-N 398.337 2.621 0 1 GFAF CCOC(=O)[C@H](C)[C@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230308 XKCIZKIEFMUCDP-VDYXNGCNSA-N 396.365 2.791 0 1 GFAF Cn1ncc(Cl)c1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963151275 STWGZBQUKBBPCB-CMPLNLGQSA-N 398.872 2.866 0 1 GFAF O=S1(=O)[C@@H](F)CCCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 223905543 VJTPPACOCPLBBX-IFXJQAMLSA-N 376.453 2.877 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@H]3CCOC3)c2c(CO)n1)c1ccccc1 1772620032 XKZAKTJDWCWOQE-OCCSQVGLSA-N 397.435 2.501 0 1 GFAF Cc1nn([C@@H](C)C(=O)NCCCc2ccccc2)c(=O)c2cc3occc3n12 5149516 QUWPWWKCQMOYAM-AWEZNQCLSA-N 378.432 2.861 0 3 GFAF COc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 13136465 NMGOVUSWQPVCMX-VNTMZGSJSA-N 390.439 2.530 0 1 GFAF COC(=O)C(=C/c1cc(OC)c(OC)c(OC)c1)/C(=C\c1ccccc1)C(N)=O 13903717 OHVFKSYQKWXSDA-OTYYAQKOSA-N 397.427 2.838 0 1 GFAF COc1cc(O)c2c(=O)c3c(oc2c1)-c1ccc(O)cc1O[C@H](C(C)(C)O)C3 14635133 CLBXZXANZHXYLN-KRWDZBQOSA-N 384.384 2.954 0 1 GFAF endogenous,in-man C[C@@H](c1ccc(-c2ccc(=O)n(CC3CC3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14947695 VQTWFYCMQRCBIU-LVWPNOBMSA-N 397.494 2.927 0 1 GFAF CC/C=C/[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 169326923 XNUWGEPKIOWLHQ-LUZRWIKHSA-N 385.460 2.866 0 1 GFAF NCCCCN(C[C@@H]1CN(c2ccccc2)CCN1)[C@H]1CCCc2cccnc21 201000010 UHSPBYGMFDJODE-GMAHTHKFSA-N 393.579 2.978 0 1 GFAF CCCN1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)C3)CC1 1857589209 FRRINSVGAXZLRR-UHFFFAOYSA-N 385.533 2.923 0 1 GFAF CNS(=O)(=O)c1ccc(CCCNC(=O)c2cc(Cl)ccc2OC)cc1 1857656013 JNTDSILLIQLAPY-UHFFFAOYSA-N 396.896 2.619 0 1 GFAF O[C@@H]1[C@H](NCc2ccccc2F)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 2356298182 ZRFIJLSFTZPRMZ-LMYCIYFBSA-N 395.434 2.505 0 1 GFAF CCc1[nH]c2nc(Sc3cncnc3)nc(N3C[C@H]4C(N)[C@@H]4C3)c2c1Cl 103084650 OOKWYXHTSPTWDS-NXEZZACHSA-N 387.900 2.508 0 1 GFAF COc1ccccc1[C@@H]1[C@H](C(=O)c2ccco2)C(=O)C(=O)N1c1cc(C)on1 100270124 FNCAUGWBTCCWKB-IAGOWNOFSA-N 380.356 2.741 0 1 GFAF CC[C@@H]1CN2CC[C@]3(Nc4ccccc4C3=O)[C@H]2C[C@@H]1C(=COC)C(=O)OC 2356507282 ZGFZEUQTWZGDLW-RXCQSBSCSA-N 384.476 2.857 0 1 GFAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=CC(=O)O)[C@H](C)[C@@H]3[C@@H](O)C(=O)[C@@H]12 2356527454 AKJOHBVQTUCYSB-YNGSVKBUSA-N 378.465 2.589 0 1 GFAF CN(C)CCc1cc2c(cc1C(O)=C1OC(=O)c3c1ccc1c3OCO1)OCO2 2356719506 ACNHNYWTOXYOGZ-UHFFFAOYSA-N 397.383 2.802 0 1 GFAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]4([C@H]2C(=O)OC)[C@H]2[C@H](OCC)ON3[C@@H]12 2356799629 UQNGTWIWTORQLU-TWZIJVJRSA-N 380.444 2.756 0 1 GFAF Cc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 34097639 LXIKXYLAOXWTDX-KBSZCIAZSA-N 393.505 2.873 0 1 GFAF Cc1nn(CCOc2ccc(C[C@H]3SCNC3=O)cc2)c(=O)c2ccccc12 1911573354 SGAGFPMTGHASAA-LJQANCHMSA-N 395.484 2.516 0 1 GFAF COCCN(CCOC)c1nc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12 40849172 AATALYIJLBSKKQ-UHFFFAOYSA-N 385.468 2.516 0 1 GFAF CSc1ccc(O[C@H]2CN[C@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1 49089477 RUKZFVVTMGHHAM-QUCCMNQESA-N 389.565 2.605 0 1 GFAF CC[C@@H](C)C(=O)O[C@@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O 86038132 LEQFGQJFFOQFOZ-AFBMGJRZSA-N 378.421 2.564 0 1 GFAF O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CCc2cc(F)ccc21 145736986 PAIFRZGBNIWMFD-QGZVFWFLSA-N 384.411 2.975 0 1 GFAF CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CC(=O)NCCN1CCCC1 25430114 KHRUDXLIPJVXEU-PKOBYXMFSA-N 389.515 2.916 0 1 GFAF biogenic COCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95873668 BMAVFVJRZCOPFO-FIXSFTCYSA-N 394.515 2.751 0 1 GFAF OC[C@H]1[C@H](c2ccccc2)C2(CN(Cc3cccnc3)C2)N1Cc1ccncc1 95667766 SKIWLGNEMXYBPI-GOTSBHOMSA-N 386.499 2.692 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1CC=C2C[C@@]3(OC)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 238745676 ILGDWQQRRLHSBQ-UGPMKWKOSA-N 376.449 2.818 0 1 GFAF CCOc1ccc(C)nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ncc(C)cn1 96915517 NMZZFHDNEPNOPV-IKGGRYGDSA-N 381.480 2.850 0 1 GFAF CS(=O)(=O)c1ccc(-c2[nH]c3nc(N)nc(O)c3c2-c2ccccc2)cc1 299829766 SAEXODHLEZKYGG-UHFFFAOYSA-N 380.429 2.983 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(Cl)c3[nH]2)[C@@H](C)O)cc1 586940052 ZQUIBSWRVNSSOE-BMIGLBTASA-N 395.868 2.625 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)([C@H](N=O)C(=O)Nc1ccccc1OC)[C@@H](C2)C3=O 587433499 RKUWSXCTYLHOTP-DRWCTHJISA-N 396.399 2.984 0 1 GFAF CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1cccnc1)CC2=O 587483977 GYZVHISFSCJBRC-LJQANCHMSA-N 375.446 2.645 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nnnn3c2)N1 587799396 YXZZBTIQQSORMT-ABKXIKBNSA-N 376.233 2.824 0 1 GFAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586984525 SBEJIMSDJGLZRL-CYBMUJFWSA-N 384.241 2.544 0 1 GFAF Cc1c(O)ccc2c1[C@@H](c1coc(-c3ccc4c(c3)OCO4)n1)N[C@H](C(=O)O)C2 963528518 SYWMHBDDHCCYIR-ORAYPTAESA-N 394.383 2.773 0 1 GFAF CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O 141949034 SYFDHJWBGXAUQK-MRXNPFEDSA-N 382.432 2.894 0 1 GFAF CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=S)N1CCCC1 5716606 CSAAUMYWSFRJKT-RTBURBONSA-N 389.565 2.688 0 1 GFAF CO[C@@H]1[C@H](OCc2ccccc2)[C@H](OCC(=O)O)O[C@H](CCC(C)C)[C@H]1OC 13531657 VAEAPLDXQLTUQK-BVJIBDCISA-N 396.480 2.864 0 1 GFAF O=C(CN1CCOCC1)Nc1ccc2c(-c3cc(F)ccc3O)ccnc2c1O 1857542054 SHGJVZXMXXZDMX-UHFFFAOYSA-N 397.406 2.723 0 1 GFAF O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NCc1ccc2c(c1)OCO2 4815260 FBXKKJSZSJNESQ-UHFFFAOYSA-N 393.428 2.643 0 1 GFAF Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)N1CCCC1 4882578 LQKXDQMQHYQHJR-UHFFFAOYSA-N 397.500 2.512 0 1 GFAF Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C3)ccc1F 11996546 BMVAQXZUXQWHFH-YJBOKZPZSA-N 386.398 2.639 0 1 GFAF COCc1n(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C 13651160 JAGYDRFDODUGKO-FQEVSTJZSA-N 377.464 2.761 0 1 GFAF Cc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12 14958016 OLBFKOZIKBWMQI-UHFFFAOYSA-N 399.516 2.628 0 1 GFAF COc1ccccc1N1CCN(c2ccc3c(=O)c(C(=O)O)cn(C)c3c2)CC1 28457596 CLBGWXFDJITOAE-UHFFFAOYSA-N 393.443 2.572 0 1 GFAF O=C(Cc1ccccc1)Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12 40405952 PWWAJFDRORIJNJ-UHFFFAOYSA-N 396.410 2.610 0 1 GFAF CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3)c2)CC1 71295093 GTYJCVQYIDDRBT-UHFFFAOYSA-N 387.480 2.765 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O 95692522 AZDABJQXNZGANX-ZRGWGRIASA-N 391.512 2.519 0 1 GFAF CC(C)NC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3)C[C@@H]21 95893562 CUGWRXNQOXUBLM-SLFFLAALSA-N 394.475 2.985 0 1 GFAF CCCNC(=O)N1[C@H](CNC(C)=O)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO 95895608 XKSXBKSIMCJEBG-BHIFYINESA-N 395.503 2.738 0 1 GFAF O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1ccco1 110749489 HSMUOVBDBBORBG-LSDHHAIUSA-N 381.775 2.879 0 1 GFAF Cc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)ccc1Cl 198775398 OZXCXTWFVJBVIA-UHFFFAOYSA-N 376.825 2.729 0 1 GFAF O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(-c2ccccn2)c1 217115561 IQOXVADYZAROMQ-JOCHJYFZSA-N 387.483 2.898 0 1 GFAF CO[C@H]1C[C@](C)(NC(=O)c2ccccc2)[C@@](O)(C(=O)c2ccccc2)[C@H](C)O1 238779733 QATRQQPVLUNGNR-XSLZUNGDSA-N 383.444 2.570 0 1 GFAF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)N(C)C(=O)[C@]12Cl 263597961 HJLALHCILCKSMC-HRQSHJORSA-N 381.815 2.815 0 1 GFAF CC(CO)(CO)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 473111564 BTCNRFYEPUENFI-AWEZNQCLSA-N 397.302 2.795 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OC)ncc4[nH]3)c2)o1 586923752 UHGFKWSLHGJHBT-UHFFFAOYSA-N 399.432 2.553 0 1 GFAF Cc1c(I)cnn1[C@@H](C)c1nc2cnc(Cl)[nH]c-2n1 587181832 FJLVVQQDVBVCCA-LURJTMIESA-N 388.600 2.677 0 1 GFAF Cc1c(I)cnn1[C@H](C)c1nc2cccc(C(=O)O)c2[nH]1 587182905 UBEJPILRUSJHMP-MRVPVSSYSA-N 396.188 2.980 0 1 GFAF CC(C)c1nc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(C)(C)O)c2ccccn12 653805028 USDAVNQTTJCEIV-ALOPSCKCSA-N 384.524 2.954 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1occc1C(=O)O 963132771 CHMDHVHKICCCSN-WDEREUQCSA-N 394.405 2.770 0 1 GFAF CN1CCN(CC(=O)Nc2ccc(Oc3cc(=O)oc4ccccc34)cc2)CC1 1857554452 QGXBJTRHHGGBRY-UHFFFAOYSA-N 393.443 2.771 0 1 GFAF CN(C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccccc1)c1ccccc1 2356297907 ACHDRDKJHOBRLK-ZJOUEHCJSA-N 399.560 2.812 0 1 GFAF CC=C(O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O)C(=O)O 2356474911 IBSXOQJJZICENO-MSOLQXFVSA-N 388.372 2.942 0 1 GFAF COc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O 4668155 MGINYNPGGNXQEQ-UHFFFAOYSA-N 387.867 2.903 0 3 GFAF Cc1cccc(-c2nnn(Cc3nnc(NC(=O)c4ccccc4)s3)n2)c1 8382516 GDOOAVJRNSMIJP-UHFFFAOYSA-N 377.433 2.801 0 3 GFAF aggregator CN(CCN1CCc2ccccc2C1)Cc1nc(-c2ccc3c(c2)OCO3)no1 20256399 MWIUWZFSIZWENG-UHFFFAOYSA-N 392.459 2.955 0 3 GFAF Cc1ccc(OCc2cc(C(=O)NCC(C)(C)N3CCOCC3)no2)cc1C 36383511 BTZXAXMAVFTNQI-UHFFFAOYSA-N 387.480 2.711 0 3 GFAF C[C@@H]1[C@@H](NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CCC[C@H]1C 245257966 JANSESFGIKWRTR-WWGRRREGSA-N 387.505 2.929 0 3 GFAF O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccncc1 13589870 KQUHMQKFGHCLNU-LJQANCHMSA-N 389.411 2.760 0 1 GFAF COc1cnc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)cc1OC 13746163 VHFDEMLXZAFPPV-MHZLTWQESA-N 386.477 2.658 0 1 GFAF C[C@H]1CC[C@H]2[C@@H](CN3CCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@@H](N3CCCC3)[C@@H]12 27086205 HPVDMHVBTFPXQO-KBVRGUOASA-N 388.552 2.730 0 1 GFAF CCOC(=O)C[C@H]1COc2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2C1 27328841 KAAYOGTWGNBKKY-ZDUSSCGKSA-N 381.432 2.727 0 1 GFAF CN(C(=O)[C@H]1CCc2ccccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 28530720 WOIKPFROCVLXKE-TUNNFDKTSA-N 380.488 2.647 0 1 GFAF Cn1cc(-c2cnn3c(NCc4cccnc4)cc([C@H]4CCCNC4)nc23)cn1 66104486 PYMKGEWOFSUSQA-INIZCTEOSA-N 388.479 2.604 0 1 GFAF CCN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1=O)OCO3 84603424 SLRNKYOXVFALFR-UHFFFAOYSA-N 385.372 2.804 0 1 GFAF Cc1n[nH]c(C)c1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1 96175508 CTHZVKYGUUCWQH-UHFFFAOYSA-N 388.435 2.981 0 1 GFAF COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)CC23CCCCC3)cc1F 96309602 YMBKDMYCFWSESH-AWEZNQCLSA-N 384.473 2.615 0 1 GFAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(=O)O)nn12 96933198 GZXOWOHQIVJXEJ-UHFFFAOYSA-N 381.175 2.995 0 1 GFAF O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccccc2)[C@@H]1C(=O)c1cccs1 100278385 LYXXKCLCFLXWRE-QZTJIDSGSA-N 393.468 2.986 0 1 GFAF COC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169298930 NKPHVJAVUYSGSZ-IDVKNYFZSA-N 396.418 2.516 0 1 GFAF Cc1onc([C@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC(C)C)cn1 169685425 QOUJVWJBFJLZDL-GDBMZVCRSA-N 376.432 2.858 0 1 GFAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CC(F)(F)C4)ncn3)c2c1 225559480 XKWULKVWTLYPKZ-NSHDSACASA-N 375.379 2.889 0 1 GFAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4c3CCO4)CC2)CC1 261070966 ACEAZRLEPRIAMD-WGSAOQKQSA-N 386.540 2.532 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N(C)C)c3F)C2)cc1 261157085 QDNKQQGQFCRKNH-SUMWQHHRSA-N 387.459 2.537 0 1 GFAF COc1cccc(CNC(=O)Nc2ccc(C3=NC=N[C@@H]4NC=C[C@H]34)cc2)c1 299870154 VXWKWVCSWMPYPN-QUCCMNQESA-N 375.432 2.907 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCOCC4)c(N)c1)[C@@H](C2)C3=O 587445601 WSHNKSLBHYFCEJ-KSFYIVLOSA-N 380.444 2.777 0 1 GFAF COc1cc2[nH]c3c(c2cc1OC)C[C@@H]1C(=O)N[C@@H](C)C(=O)N1[C@H]3CC(C)C 653808765 TUPQWFMUKKBKJL-KNXALSJPSA-N 385.464 2.544 0 1 GFAF COc1ccccc1OC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 1259847581 ASKSGOOZKXXKFT-UHFFFAOYSA-N 391.445 2.656 0 1 GFAF CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O 1857589205 FFYLSLMDLCQSRS-UHFFFAOYSA-N 380.383 2.561 0 1 GFAF Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)n1 2662705 NUIUTSLPBYRSLL-XCLFUZPHSA-N 395.467 2.507 0 3 GFAF CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3CC2CC2)c1 205224368 LZBIUQFVECSWBD-UHFFFAOYSA-N 386.473 2.998 0 3 GFAF CCOc1ccc(CO[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 4177348 AOWCCGTVGMHYSD-APAFKAMOSA-N 394.464 2.998 0 1 GFAF CN1CCN(c2cccc(C(=O)c3cnn(-c4ccc(F)cc4)c3N)c2)CC1 13683017 SBVLOVCZMGZLBI-UHFFFAOYSA-N 379.439 2.576 0 1 GFAF CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@@H](C)C(=O)O)c1 28457559 GKXUJXTYCGQFPD-LBPRGKRZSA-N 385.416 2.939 0 1 GFAF O=C([C@H]1C[C@@H](Oc2ccc(Cl)cc2)CN1)N1CCCN(C2CCC2)CC1 72181491 OQKSKCQEXCCVNW-RTBURBONSA-N 377.916 2.536 0 1 GFAF CN1C(=O)N(Cc2ccccn2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl 95566109 RNNCOPSGNGGWHA-AWEZNQCLSA-N 394.809 2.566 0 1 GFAF CNC[C@@H]1Oc2ncc(/C=C/c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95734106 HURDRCJWSCCATG-MFGJOAIOSA-N 395.503 2.692 0 1 GFAF COCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95873670 BMAVFVJRZCOPFO-WPFOTENUSA-N 394.515 2.751 0 1 GFAF COc1ccc(Nc2nc(NC3CCCC3)ncc2-c2nc(C)nc(N)n2)cn1 113232770 XTRMDAPEOFJQDE-UHFFFAOYSA-N 393.455 2.721 0 1 GFAF O=C(Nc1cnn(S(=O)(=O)c2ccc(Cl)c(F)c2)c1)c1ccccn1 116775777 QCOQOSHDIPGAQG-UHFFFAOYSA-N 380.788 2.560 0 1 GFAF NC(=O)c1cc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2cc1-c1ccncc1 205522781 JLAYWEGLSDOWFL-UHFFFAOYSA-N 387.321 2.601 0 1 GFAF CCOc1ncc(F)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 261163938 RKYNGPAEZNXULZ-SUMWQHHRSA-N 388.443 2.869 0 1 GFAF C[C@]1(CN2C(=O)CCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339855 FXHIMELGGURKBS-PZJWPPBQSA-N 383.375 2.798 0 1 GFAF CC1=C[C@]2(N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)C(C(=O)O)=C(C)O1 962641872 QKMVPZLSLZTUPY-CXAGYDPISA-N 399.321 2.672 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@@](CC(=O)CCCO)(c3ccccc3)c3cccc1c32 963037550 VPIZTXMQZZBSQY-MWTRTKDXSA-N 378.472 2.715 0 1 GFAF CC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963510157 OVTVLNRLIQEABU-SMDDNHRTSA-N 381.297 2.672 0 1 GFAF N=c1nc2ccc(NC(=O)c3ccc(I)cc3)cc2c[nH]1 1857565993 CWPGVTHNYPNQBL-UHFFFAOYSA-N 390.184 2.899 0 1 GFAF CC1(C)CC[C@H](O)[C@]1(C)c1ccc(C(=O)OCC[C@](C)(O)CC(=O)O)cc1 2356386733 UYLYUHNDNNVOPJ-NDXORKPFSA-N 378.465 2.898 0 1 GFAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 2356762331 SZXNKSQSULNMRW-FKBYEOEOSA-N 397.563 2.801 0 1 GFAF CCCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1 4213408 HIPKEWDXSAWIOX-UHFFFAOYSA-N 380.404 2.783 0 3 GFAF COc1ccc(-c2ccc3c(c2)COCC(=O)N3CCN2CCOCC2)cc1 206016554 NCWQYBKMVMHIQH-UHFFFAOYSA-N 382.460 2.558 0 3 GFAF COc1cnc(C[S@@](=O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1OC 13452091 AAJYURZARXDQCX-MHZLTWQESA-N 397.359 2.604 0 1 GFAF N[C@@H](CC(=O)N1CCc2n[nH]c(C(F)(F)F)c2C1)Cc1cc(F)ccc1F 14948929 JPHOAWUKOBXEQB-LLVKDONJSA-N 388.340 2.552 0 1 GFAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ccccc12 33495542 KDUIBMLGMZJDAG-OAHLLOKOSA-N 375.428 2.724 0 1 GFAF CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@@](C)(CC(C)C)C2=O)cc1 45258603 VPGRKPRUHRVZER-NRFANRHFSA-N 387.528 2.957 0 1 GFAF O=C1c2cc3ncn(CCc4cccc(F)c4)c(=O)c3cc2O[C@H]2CCCN12 72128569 RKTWPUGVMOEUQE-IBGZPJMESA-N 379.391 2.733 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCN(C)C)C2)co1 82069628 RINHNJMCGIPYEG-INIZCTEOSA-N 385.464 2.607 0 1 GFAF CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3ccc(Cl)s3)ccc21 95582963 SNVKEJSACGUEIJ-TWGQIWQCSA-N 385.850 2.691 0 1 GFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893695 JIPAKEXGEFDDCB-AABGKKOBSA-N 379.460 2.594 0 1 GFAF CCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1ccc(F)cc1 95895017 MJDWAAMJSXRTDT-SLFFLAALSA-N 399.466 2.504 0 1 GFAF CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(CC(C)C)C(=O)c1ccccn1 95895962 JYEONRJNSJJOQW-FDFHNCONSA-N 395.503 2.555 0 1 GFAF Nc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)c3ccccc3)cc2)cn1 95920883 CYPHXCMPISHSDL-UHFFFAOYSA-N 382.445 2.818 0 1 GFAF in-vitro CCO[C@@H]1[C@H]2C[C@H]([C@@H](C)O)[C@@H]3N1CCc1c([nH]c4ccccc14)[C@]3(C(=O)OC)C2 101361865 ZCNBXQWUBWONCS-CQAOCBHCSA-N 398.503 2.589 0 1 GFAF O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@H]([C@@H]35)N2Cc1cccc(I)c1 101668988 CAYMCWKKHULDBH-PXWPQYHUSA-N 391.252 2.552 0 1 GFAF CCS(=O)(=O)c1ccc(OCC2CC2)c(-c2nn(C)c(=O)c3[nH]ccc23)c1 146405159 DGBXTQXULBPDEX-UHFFFAOYSA-N 387.461 2.511 0 1 GFAF Cc1cnc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)c(F)c1 169697362 MAZDVAQKDKCWJJ-UHFFFAOYSA-N 378.415 2.553 0 1 GFAF Cc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1C 587182421 OEDRODOTHOTBMK-UHFFFAOYSA-N 382.161 2.653 0 1 GFAF CN1CCCCN(C(=O)c2cc[nH]n2)CCCOc2ccc(Cl)cc2C1=O 618018039 SIXNZALAZBZUEZ-UHFFFAOYSA-N 390.871 2.840 0 1 GFAF C[C@]1(c2ccc(S(C)(=O)=O)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962705967 GRHPDBAEPOYWPL-FUHWJXTLSA-N 397.418 2.999 0 1 GFAF COc1cccc2cc3c(nc12)[C@@]1(CCCC(Cl)(Cl)C1(O)O)NCC3 963055621 KBDBZLAGFPWBDI-MRXNPFEDSA-N 383.275 2.623 0 1 GFAF CN1CCc2cn(C)nc2[C@@H]1c1cccc(OCCNC(=O)OC(C)(C)C)c1 963955250 OMJUBWFDEPBGGX-IBGZPJMESA-N 386.496 2.901 0 1 GFAF COc1cccc2c(C(=O)NCc3cccc(C(F)(F)F)n3)nc(N)nc12 1772570399 STWRXRRGWBYXJK-UHFFFAOYSA-N 377.326 2.564 0 1 GFAF Cn1ccnc1CN1C[C@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 2356425887 LZGPBZGEEJKEGX-QUCCMNQESA-N 388.471 2.989 0 1 GFAF COc1cccc(OCc2cc(C(=O)NCc3ccc4c(c3)OCO4)no2)c1 12581136 ABGNEFDISMESHF-UHFFFAOYSA-N 382.372 2.921 0 3 GFAF COc1ccc2c(c1)CN1C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)C[C@H]21 96020190 GVABSHSPEYWDOT-QGZVFWFLSA-N 376.409 2.657 0 3 GFAF CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N[C@H](C)CC)c21 2458904 ACZCFOHCPFMHFN-SNVBAGLBSA-N 389.315 2.825 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)[C@@H](C)N(Cc3cccc(O)c3)C2=O)cn1 115731453 DTGMDFOHVZBFOC-CYBMUJFWSA-N 395.419 2.599 0 1 GFAF CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 27878249 STPXTKFTNZXSJF-SFHVURJKSA-N 387.867 2.609 0 1 GFAF CNC[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C 61922860 VMUIUYUBOUUZSN-HOIFWPIMSA-N 382.504 2.931 0 3 GFAF CC(C)[C@H]1CCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891860 HGEFPGVVQSTWMX-PKOBYXMFSA-N 376.522 2.599 0 1 GFAF COc1ccc(CCNC[C@H](O)COc2ccc3c(c2)CCCN3)cc1OC 40861412 APXBKQSWPZDMQL-SFHVURJKSA-N 386.492 2.634 0 1 GFAF CC(C)C(=O)/N=c1/[nH]c2c([nH]1)[C@@H](C)c1[nH]c(NC(=O)c3ccccc3)nc1CC2 14887729 YCDCJHKBEHWEIQ-GFCCVEGCSA-N 392.463 2.652 0 1 GFAF biogenic COc1ccc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc1 45195344 JSSGQPVDNPVPMX-UHFFFAOYSA-N 396.447 2.837 0 1 GFAF O=C(CN1CCCN(Cc2nc3ccccc3[nH]2)CC1)Nc1cccc(F)c1 49089076 TZLNUGRCOZPXOK-UHFFFAOYSA-N 381.455 2.848 0 1 GFAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO2 95688551 NNLGSVIPEFKMPH-KHYOSLBOSA-N 391.512 2.519 0 1 GFAF Cc1ccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C)O3)cc1 95710897 FPYFRAAYXDWLDR-XGHQBKJUSA-N 397.519 2.839 0 1 GFAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1)c1ccncc1 95895909 XOPCKECUHROKNF-YPAWHYETSA-N 379.504 2.831 0 1 GFAF COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423655 YLIGRYSUZZOIFC-YMTOWFKASA-N 380.265 2.942 0 1 GFAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C=C(C(=O)O)NN1c1ccccc1)[C@@H](C2)C3=O 587435709 IJLDVJDYHORFOW-VPKVUBIPSA-N 392.411 2.563 0 1 GFAF CNC(=C[C@@]1(c2cccnc2)c2cccc(Br)c2CCN1C)NC 963289430 MSSSXHOBSXGPFV-LJQANCHMSA-N 387.325 2.856 0 1 GFAF C[C@@]1(O)OC(=O)C(c2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 13488607 YZVGEGYNFZFQAF-GOSISDBHSA-N 380.368 2.544 0 1 GFAF CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(Cl)cc1)C(=O)O)C(=O)O 14976340 DFVUHZNGVPKSFR-IRXDYDNUSA-N 393.871 2.669 0 1 GFAF N[C@@H]1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1 205241018 YSYVRFJJFUKXNR-GFCCVEGCSA-N 375.411 2.758 0 1 GFAF O=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3csnn3)C2)C1 3956352 OCLGPYDFEHLYOG-GOSISDBHSA-N 389.456 2.837 0 1 GFAF COc1ccc([C@H](CCO)Nc2ccc(C(=O)Nc3onc(C)c3C)nn2)cc1 207422954 SQXUYZVJTYGBQE-INIZCTEOSA-N 397.435 2.878 0 1 GFAF C[C@@H]1COCCN1c1cc(C2([S@@](C)=O)CC2)nc(-c2cc[nH]c3nccc2-3)n1 1857656822 DECPCPPVVJLPSN-DBDZUICISA-N 397.504 2.564 0 1 GFAF COc1cc2c(c3c1OCO3)C[C@@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C 15274390 SOBPDDCRKOMPSD-CYBMUJFWSA-N 383.400 2.913 0 1 GFAF biogenic COC(=O)CCc1c(C)n(C(=O)c2ccco2)c2ccc(S(=O)(=O)O)cc12 28122788 JMSXLGWBKHREJP-UHFFFAOYSA-N 391.401 2.584 0 1 GFAF C[S@](=O)c1cc2n(c1C(=O)c1ccc(Br)cc1)CC[C@H]2C(=O)O 28224403 BLIQSPOMTUZSPX-QVQLBTGDSA-N 396.262 2.791 0 1 GFAF CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCC(=O)N2C 28248959 KNIXJTUVNQWAHS-CQSZACIVSA-N 379.888 2.690 0 1 GFAF CN[C@@H](C)C(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)N[C@H]1CCCc2ccccc21 45245228 IDROMEXQJBMJKF-RCBQFDQVSA-N 398.532 2.913 0 1 GFAF O[C@](Cn1cncn1)(Cn1nnc2cc(Cl)ccc21)c1ccc(F)cc1F 49808323 BFNAGQZRDWVRHH-QGZVFWFLSA-N 390.781 2.542 0 1 GFAF CN(C)C(=O)Oc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 66252051 UBFXFNGFTGKWLO-UHFFFAOYSA-N 381.476 2.634 0 1 GFAF CCN(CC)C(=O)OCn1cc([C@@H](O)c2ccc3c(c2)C=CC(C)(C)O3)nn1 72180797 ROLKGGNESCBACX-SFHVURJKSA-N 386.452 2.980 0 1 GFAF COc1ccc(CS(=O)(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1N 84616132 ZMRPTBOQWNLUQO-BQYQJAHWSA-N 393.461 2.889 0 1 GFAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 95894055 BZFBZZPYDSRKLN-XUVXKRRUSA-N 397.450 2.733 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)c1ccc(F)cc1 95895018 MJDWAAMJSXRTDT-VAMGGRTRSA-N 399.466 2.504 0 1 GFAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC)C(=O)NC1CCCC1 95895117 XYWKURXRWWUHGZ-ZVDOUQERSA-N 387.524 2.726 0 1 GFAF O=C1c2cnn(-c3ccccn3)c2CCCN1C1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101668555 QDAUCYFWRJSXFP-HIIXOTBNSA-N 378.476 2.595 0 1 GFAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)N(C)C1=O 140540461 RVLIRWFNCYASBC-SYGMWZTRSA-N 392.297 2.563 0 1 GFAF CCC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169296582 JPAYKFOGOBDDJL-OZQHCQBDSA-N 396.443 2.750 0 1 GFAF Cn1cnnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 202521639 RZYPBXJBDXIHQD-INIZCTEOSA-N 376.869 2.731 0 1 GFAF CO[C@@H]1C[C@@]2(CC[C@]3(O2)[C@@H](C)C[C@@H]2OC(=O)[C@]4(C)CCC[C@]3(C)[C@H]24)C(=O)O1 238782171 NTKKRFQRYGKWKB-OPMVAEBFSA-N 378.465 2.972 0 1 GFAF CCOc1ccccc1[C@@](N)(c1nc2cccc(C(N)=O)c2[nH]1)C(F)(F)F 587092934 OWBZLUKDFVZFMJ-QGZVFWFLSA-N 378.354 2.825 0 1 GFAF CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)C1CCCC1 587227276 XWCNZQZRIHJBPV-CQSZACIVSA-N 394.497 2.966 0 1 GFAF CCOC(=O)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651974 HYUYRTQZMIRLSB-UHFFFAOYSA-N 386.791 2.946 0 1 GFAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CNC2)cc1F 1772610911 KRBZMGJRGYZYBD-UHFFFAOYSA-N 390.893 2.758 0 1 GFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H](CN[C@@H]2CC[C@H](O)C23CCCC3)[C@]2(O)C[N@]12 2356350991 NUMWSXMRYHYCEL-ITSMVSHUSA-N 398.547 2.669 0 1 GFAF O=C(O)C[C@@H]1CCN(C2CCOCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356596861 UCUVMYPGWZNKPD-UONOGXRCSA-N 375.444 2.836 0 1 GFAF CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCCc1ccccc1 95599438 XPODACXNJJUUIQ-SFHVURJKSA-N 379.460 2.607 0 3 GFAF CCCCCCNC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(C)cc1 96020327 STUCJAXJARYFFM-GOSISDBHSA-N 398.594 2.939 0 3 GFAF O=C(CN(Cc1ccc(F)cc1)C(=O)[C@H]1CSC(=O)C1)NC1CCCCC1 1378573 RLGCEFKJQHHLIM-OAHLLOKOSA-N 392.496 2.883 0 3 GFAF COc1ccc2nc3n(c2c1)[C@H](CNCc1ccc(NC(C)=O)cc1)COC3 2356311568 CXIZPDYXXZIMLM-QGZVFWFLSA-N 380.448 2.864 0 1 GFAF CC(=O)O[C@]1(CO)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@](C)(CO)[C@@H](O)CC[C@]13C 2356389219 MJSCOVOZOSAIGP-WTLTUAPGSA-N 380.525 2.657 0 1 GFAF COc1ccc([C@H](C)NC(=O)[C@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 7991234 QXDNINQOTQLSMY-VRONRVGUSA-N 380.444 2.901 0 1 GFAF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)Cc1cccnc1)CC2 28020885 GGXGVFLQLHKUEK-UHFFFAOYSA-N 383.492 2.548 0 1 GFAF CC[C@@H]1C[C@H]2N3CCc4c([nH]c5ccc(OC)cc45)[C@@]2(C(=O)OC)C[C@H]1[C@H]3CO 2356642952 AHWBYIVXFGPCHZ-OVFFQXIUSA-N 398.503 2.625 0 1 GFAF Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C)CC2)c(=O)n4C)cn1 118531949 XRLJNYCQTCOLHF-UHFFFAOYSA-N 388.475 2.920 0 1 GFAF CN(c1ccc(OC(F)(F)F)cc1)c1cc(NCCN2CCOCC2)ncn1 64548370 IXGHJTLQLKRUGM-UHFFFAOYSA-N 397.401 2.887 0 1 GFAF CN(C)S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1 27425489 BSVFVIBDYMUKAD-UHFFFAOYSA-N 398.282 2.920 0 1 GFAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1[nH]c(CC)nc1Cl 35900823 CEGVXTFEULDOLA-CQSZACIVSA-N 381.860 2.987 0 1 GFAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CC2=NCCN2)c1 64549676 VAXDISKYVOZCHP-UHFFFAOYSA-N 399.454 2.768 0 1 GFAF CCc1cc(O)cc(O)c1C(=O)c1c(O)cc(O)cc1Cc1cc(O)cc(=O)o1 13334580 MHAHFNHLIXPZLL-UHFFFAOYSA-N 398.367 2.552 0 1 GFAF biogenic Nc1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1 84652467 YUOGCICHWDJBLS-UHFFFAOYSA-N 375.436 2.842 0 1 GFAF CC(=O)Nc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1 45356751 CPFQNXKICZNUDF-UHFFFAOYSA-N 376.464 2.548 0 1 GFAF COc1cc(C2CC2)c2c(=O)oc(-c3cccnc3N3CCN(C)CC3)nc2c1 43012271 DTMPPDFJHKREJI-UHFFFAOYSA-N 392.459 2.888 0 1 GFAF CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1 221610421 UXGSXTOQKTZHFK-UHFFFAOYSA-N 378.451 2.887 0 1 GFAF COc1cccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@H](C)CN3)c1 82210814 PCFFERIHADEPSG-OAHLLOKOSA-N 392.459 2.666 0 1 GFAF CC(C)NC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1 96273907 SYTBQCYSGAAEPW-UHFFFAOYSA-N 377.452 2.956 0 1 GFAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 95866760 RLHLHQOARBDQIW-UYAOXDASSA-N 397.544 2.875 0 1 GFAF CN=c1nc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]s1 587619143 QVLQUDGRRFGHIW-DNVCBOLYSA-N 383.429 2.670 0 1 GFAF Cc1c(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)oc2c1[C@H](O)CCC2 586903341 JMSICAWPKYOQEQ-GFCCVEGCSA-N 375.450 2.751 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587040384 KBSUEERGEBEWFE-UHFFFAOYSA-N 389.506 2.941 0 1 GFAF COC(=O)[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587808791 PHECRVRAHPYUNP-BHOZQUNFSA-N 384.245 2.860 0 1 GFAF COc1cc2c(cc1OC)[C@@H]([C@@H]1O[C@H](O)c3c1ccc1c3OCO1)N(C)CC2 1857611761 BYGJBOQBEWSFBI-ZVDOUQERSA-N 385.416 2.724 0 1 GFAF CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21 1857630150 HVYXYPWZDRWKCC-OFNKIYASSA-N 391.563 2.515 0 1 GFAF COC(=O)c1c(OC(=O)c2ccccc2)noc1CC(=O)O[C@H]1C=CCCC1 1614451 MELDVCDDAUVMOX-AWEZNQCLSA-N 385.372 2.875 0 1 GFAF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4295948 ANQWKEPJVMYPQU-FPOVZHCZSA-N 398.459 2.948 0 1 GFAF CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1 4687610 HVWZZVJXCKUNJN-UHFFFAOYSA-N 386.429 2.750 0 1 GFAF CN[C@@H](Cc1c[nH]c2cc(Br)c(Br)cc12)C(=O)O 13450954 GMRVWTILWKKKRC-NSHDSACASA-N 376.048 2.908 0 1 GFAF biogenic COc1cc2c(c(OC)c1OC)CCCN1CCC3=C[C@H](OC)[C@@H](OC)C[C@@]321 14929848 HNBWTTSZSJRNJF-LQBOVUBWSA-N 389.492 2.920 0 1 GFAF biogenic COc1ccc(OC)c(C(=O)N[C@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)c1 28456873 UDICITPBHFUUCH-INIZCTEOSA-N 398.459 2.827 0 1 GFAF COc1c([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2O)ccc2c1C=CC(C)(C)O2 32251928 IAJCTOOANYGADU-QUCCMNQESA-N 384.384 2.968 0 1 GFAF biogenic CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=O)NC2=O)sc2ccccc12 45261220 OUWJBKAUOWOZND-JTQLQIEISA-N 378.431 2.758 0 1 GFAF CN1CCN(c2ccc(Nc3nccc(-c4cnn5ncccc45)n3)cc2)CC1 53182516 AUAUBVTWWCYNPP-UHFFFAOYSA-N 386.463 2.682 0 1 GFAF CC(=O)N1CCN(CCOc2cc(C)n(-c3ccc4ccccc4c3)n2)CC1 95553805 IUAPCWFBCCDPBP-UHFFFAOYSA-N 378.476 2.877 0 1 GFAF C[C@@]1(CCc2ccccc2)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O 96909304 BKPVSPKFWCAIKT-QHCPKHFHSA-N 396.487 2.589 0 1 GFAF O=C(Nc1ccc(C(=O)N2CCC3(CNC3)C2)cc1)N1Cc2ccc(F)cc2C1 166352207 RHOVZMXCPXLTCF-UHFFFAOYSA-N 394.450 2.809 0 1 GFAF COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)NCc2ccco2)c(OC)c1 169689084 OOWFXNSFZDCAJZ-UYVJDWJCSA-N 396.443 2.990 0 1 GFAF C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O 219958450 UXIWWNCPRZIUAB-XGZVRMHOSA-N 390.517 2.595 0 1 GFAF in-vitro COc1cc(O)c2c(c1)C=CCC(=O)OCCOC(=O)CCC[C@H](C)OC2=O 299806996 OSKKLULYFAZOGL-ZDUSSCGKSA-N 392.404 2.620 0 1 GFAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)c1 587232124 UHNPLHGLVDCGTK-UHFFFAOYSA-N 380.448 2.819 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)O2 587396674 VOSWFNJVLYWCTL-ZUOKHONESA-N 390.436 2.623 0 1 GFAF COc1ccc2c(c1)[C@@]1(CNS(=O)(=O)c3ccsc31)N(C(C)C)CC2 962094544 WEAZZFIIINUFSD-GOSISDBHSA-N 378.519 2.559 0 1 GFAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1nccn1C)C1CCOCC1 963032359 IHBVNLHZSMSWDB-QFIPXVFZSA-N 378.476 2.793 0 1 GFAF O=C1COc2ccc([C@]3(C(=O)O)NCCc4c(Cl)cc(Cl)cc43)cc2N1 963105191 HSIXTYXTDHFAHG-SFHVURJKSA-N 393.226 2.798 0 1 GFAF O=C(c1cccc(Nc2c(N[C@@H]3C[C@@H]4CC[C@H]3C4)c(=O)c2=O)c1O)N1CCCC1 1857565717 ZFEXFHOZIDYWSO-DVOMOZLQSA-N 395.459 2.568 0 1 GFAF COc1cccc(OCc2cc(C(=O)NCc3cnc4ccccn34)no2)c1 11664131 YBOICPGKCRXOKJ-UHFFFAOYSA-N 378.388 2.840 0 3 GFAF COc1cc(OC)nc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)n1 61903548 MPCNVKXXQYJWCQ-ZDUSSCGKSA-N 387.465 2.911 0 3 GFAF CNC(=O)N1CCc2cc3c(c4c2[C@@H]1Cc1ccc(OC)c(OC)c1-4)OCO3 13380118 FOASHMUOZJBSKS-ZDUSSCGKSA-N 382.416 2.894 0 1 GFAF biogenic CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C1=O 25395774 LDFNPLDMEUZCKT-QJPIZNMWSA-N 389.471 2.924 0 1 GFAF COC(=O)COc1c(C=O)cc(Br)c(OC)c1Br 28652096 DYFYCWWVIYPRMP-UHFFFAOYSA-N 382.004 2.585 0 1 GFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COCCCc1ccccc1 29211489 XCMVLASZXIMNNH-IBGZPJMESA-N 399.443 2.975 0 1 GFAF COc1cc2c(cc1OC)/C(=C\c1ccc(OC)c(OC)c1O)N(C=O)CC2 31970679 YYHGQOLZRYICRS-CXUHLZMHSA-N 385.416 2.939 0 1 GFAF COc1c([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)ccc2c1C=CC(C)(C)O2 32251922 IAJCTOOANYGADU-ICSRJNTNSA-N 384.384 2.968 0 1 GFAF biogenic CCc1c2c(nc3ccc(F)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC 38496776 VPPPQMQGVYTMGL-QFIPXVFZSA-N 394.402 2.781 0 1 GFAF COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1 53230753 JRAIIPBUVORQLR-UHFFFAOYSA-N 396.535 2.868 0 1 GFAF Cc1c(CC(=O)O)c2ccsc2n1Cc1ccc(S(=O)(=O)N(C)C)cc1 66078602 PBARSYIECLLZHT-UHFFFAOYSA-N 392.502 2.937 0 1 GFAF O=C1c2cc3c(cc2OCN1CCc1ccc(F)cc1)C(=O)N1CCC[C@H]1O3 72173238 ANSPIMPVDUJTNZ-LJQANCHMSA-N 382.391 2.815 0 1 GFAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NC[C@@H]3CCCO3)c2cc1OC 82125479 LTLARNQSDLKOKN-KBPBESRZSA-N 388.468 2.829 0 1 GFAF O=C(c1ccncc1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO 95571429 ODRNCXKXNVTUTQ-JQFCIGGWSA-N 388.265 2.834 0 1 GFAF CC(=O)N1[C@@H]2CN(C(=O)NC(C)C)C[C@H]1[C@H]2c1ccc(Br)cc1 100085127 SHKCOFMIULEMLX-ZSHCYNCHSA-N 380.286 2.566 0 1 GFAF CCCc1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 169322223 RPKZPWOFHZFQOU-GOSISDBHSA-N 391.427 2.784 0 1 GFAF C[C@H]1C[C@@H](n2c(=O)[nH]c3ccccc32)CCN1CCNC(=O)c1ccc(F)cc1 299836510 NMSOMEDMEITKLR-YJBOKZPZSA-N 396.466 2.924 0 1 GFAF CC1=C(c2ccc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3c2)NNC(=O)C1 586908001 PWMBSSPSKPPPEG-CYBMUJFWSA-N 376.416 2.899 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1[C@@H](C(=O)O)NC[C@@H]31 586990061 UPTOOBHRKLZMNH-SMSPXONGSA-N 386.407 2.854 0 1 GFAF COC(=O)[C@@H]1C[C@@]2(CCN1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346118 RJUAQKVPHHWBLM-LRXVAGHRSA-N 399.418 2.896 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346284 LNIQUHIVAHASQO-MIMWQVSNSA-N 397.402 2.712 0 1 GFAF CC(C)COc1cccc(OCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587566032 QFKSDNDPMPVEBN-UHFFFAOYSA-N 375.450 2.824 0 1 GFAF CCOC(=O)[C@@]1(c2nccn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755108 ODQJSWNNIPMZCY-DYZYQPBXSA-N 396.260 2.663 0 1 GFAF CCN(CC)CCNC(=O)c1cc(-c2cnc(N(C)C)nc2)nc2ccccc12 1204976246 NNFOWQQWKNSSGY-UHFFFAOYSA-N 392.507 2.829 0 1 GFAF COc1cccc2c1[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O 1857538750 XXOALGSGNOICFL-CQSZACIVSA-N 383.416 2.861 0 1 GFAF COc1ccccc1CN1CCC[C@@H]1c1nc(C2=CN[C](N(C)C)C=C2)no1 2356313050 OETOPSKWXXNJRT-QGZVFWFLSA-N 380.472 2.967 0 1 GFAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 252000084 ZWHGMKZMKUQXOB-HLLBOEOZSA-N 389.521 2.796 0 3 GFAF CC(C=C[C@H](O)CC=C(C)C=C[C@H](O)C[C@H]1OC(=O)C(C)=C(O)[C@@H]1C)=CCO 2356327825 JGMRIWYAEMPDLG-RSPOEFSDSA-N 392.492 2.879 0 1 GFAF COc1ccc(OC)c(NC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)c1 2602294 SLJLXLVYXXTUNH-MRXNPFEDSA-N 398.506 2.707 0 1 GFAF COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4c[nH]c5ccccc45)C[C@@H]32)cc1 2356343233 NFKHAJOVXWEZKU-FCHUYYIVSA-N 391.471 2.788 0 1 GFAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@H]2O)[C@@H]13 101624913 OIFIZUGEZGVEFS-NEPKKPNDSA-N 384.476 2.582 0 1 GFAF O=C1COc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)CC1 22941368 IYMCNOIVOYIUOJ-UHFFFAOYSA-N 385.895 2.883 0 1 GFAF O=C(C[C@@H]1CNCCO1)N1CCc2n[nH]c(-c3ccc(Cl)c(Cl)c3)c2C1 20534140 VTERTUJAUOFSFY-GFCCVEGCSA-N 395.290 2.647 0 1 GFAF CC=C(C)C(=O)O[C@H]1C[C@@H](C)[C@@]2(OC)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2 2356773869 KZMMOGWSMBTTFY-XLLVCRMESA-N 392.448 2.546 0 1 GFAF Cc1ccnn1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 71932873 BQOAZNQACLTPKI-LJQANCHMSA-N 399.514 2.534 0 1 GFAF C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211478 PJHLSPHMEXRTMP-ZDUSSCGKSA-N 398.413 2.935 0 1 GFAF C/C=C1\CN2[C@@H]3C[C@H]1C(C(=O)OC)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 238760868 XMYAJPDPDDIQNV-REZROHQVSA-N 380.444 2.748 0 1 GFAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13OC[C@@H](C[C@@H]21)[C@@](O)(C(C)C)[C@H]3O 254095684 HRQUJKIMIXCOBO-ICZQNFEKSA-N 380.525 2.919 0 3 GFAF Cc1ccc(C)c([C@@H]2C=C(c3c(O)n(C)c4ccccc4c3=O)NC(=O)NN2)c1 68591760 VMTCPKSAUFGTTG-INIZCTEOSA-N 390.443 2.761 0 1 GFAF biogenic NC(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587243023 BCCJLCSPTFUVGZ-UHFFFAOYSA-N 375.392 2.780 0 1 GFAF CCOC(=O)[C@@H]1COC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357345 NADLENRAXASVLV-CDXJDZJCSA-N 386.375 2.839 0 1 GFAF NC(=O)c1cccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 587019840 QQGOJHPXIDYLLA-UHFFFAOYSA-N 393.428 2.667 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc[nH]c(=N)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240277 RXUVEPNWVMKORF-CJAGKMTESA-N 387.484 2.925 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c(C(=O)N3CCC[C@H](CO)C3)c1)O2 587396347 JMMXSCXRDWHBMR-FPTDNZKUSA-N 397.475 2.630 0 1 GFAF C[C@@H]1CN(c2ccc([C@H]3NCCc4ccc(C(=O)N(C)C)cc43)cn2)C[C@@H](C)O1 962924536 KMQJQTGLJGPHSX-XCGNWRKASA-N 394.519 2.632 0 1 GFAF Fc1ccc([C@@H](CN2CCN(c3cnccn3)CC2)NCc2ccccn2)cc1 198244244 BGEXWXVTDUPFCO-OAQYLSRUSA-N 392.482 2.664 0 1 GFAF Cc1[nH]c(C[C@@H]2C(=O)Nc3ccc(Cl)cc32)c(C)c1C(=O)NCCN(C)C 1772586321 SGRZLWHBSZPPHH-HNNXBMFYSA-N 388.899 2.855 0 1 GFAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCCC(=O)O)C[C@H]2[C@H](O)/C=C\C(=O)O1 169345721 HXHHXTKXCWAIQQ-HROZURICSA-N 394.464 2.768 0 1 GFAF COc1ccc(CC[C@@H](C)NC[C@@H](O)c2ccc(O)c([S@@](C)=O)c2)cc1 4214352 PAQZZCOZHPGCFW-JICPENINSA-N 377.506 2.783 0 1 GFAF in-man COc1ccc(-c2cnc3[nH][nH]c(=NC(=O)c4cccnc4)c3c2)cc1OC 1857584658 QDMWCWKRDXPVCZ-UHFFFAOYSA-N 375.388 2.711 0 1 GFAF COc1ccc(CNC(=O)CN(Cc2ccccc2)C(=O)c2csnn2)cc1 1346522 WACSKIVBDZQMRU-UHFFFAOYSA-N 396.472 2.506 0 3 GFAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H](CN[C@@H]2CC[C@H](O)C23CCCC3)[C@@]2(O)C[N@@]12 2356350992 NUMWSXMRYHYCEL-PTHSYUEUSA-N 398.547 2.669 0 1 GFAF FC(F)(F)Oc1ccc(Nc2nccc(NCCN3CCOCC3)n2)cc1 64549027 CQOVNCXAFUPUQW-UHFFFAOYSA-N 383.374 2.863 0 1 GFAF Cc1cc(C(=O)N2CC[C@]2(C)C(=O)NCc2cccc3ccccc23)nn1C 61896931 WFPRVEATGVREBM-JOCHJYFZSA-N 376.460 2.803 0 3 GFAF CC[C@H](C)[C@H]1CNC(=O)C(=O)N1CC1CCN(CC2CCC(C)CC2)CC1 61936125 UAHQYFPYBYKKJH-PAQOUXTFSA-N 377.573 2.898 0 3 GFAF CCCOCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 28470801 XPRFOBRQIYJWAU-OHOOFKPFSA-N 384.513 2.669 0 1 GFAF OCC[C@@H]1CN(Cc2ccc3nsnc3c2)CCN1CCc1ccccc1 22920454 WRJCEMYERWUWGR-LJQANCHMSA-N 382.533 2.803 0 3 GFAF O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)NC[C@H]1CCCO1 20579269 IBAFRZSYVFWODQ-MRXNPFEDSA-N 381.432 2.796 0 1 GFAF Nc1nc(N)c2nc(CN3c4ccccc4S[C@H]4C=CC=C[C@@H]43)cnc2n1 64468823 PIZFEXJPPUNUID-JSGCOSHPSA-N 375.461 2.560 0 1 GFAF CC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2)c2c(n1)N(C(C)C)CN2 70719192 VPSJNCGDAUCGCU-OAHLLOKOSA-N 386.500 2.878 0 1 GFAF C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN(C)C 82083783 BGKYHWBHIWVPLX-NSHDSACASA-N 381.885 2.687 0 1 GFAF Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CC[C@@H](O)C3)cc2F)cn1 224821109 OOTFKMSHEUFPGZ-OAHLLOKOSA-N 378.407 2.739 0 1 GFAF CCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@@H]1[C@H](C)[C@@H](C(C)C)O[C@@](O)(CC)[C@@H]1C 85641413 SYYCBACQWWZAEZ-AUTNGEAZSA-N 386.529 2.936 0 1 GFAF CCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)c1ccccc1 198919836 ZTQQLAAXCYUIFS-ROUUACIJSA-N 387.480 2.524 0 3 GFAF NCCOCCNC(=O)c1ccc([C@H]2CC[C@@H](c3ccccc3)C[C@H]2O)cc1 96086549 UWDDUVCTGLMPMN-YPAWHYETSA-N 382.504 2.804 0 1 GFAF in-vitro CS(=O)(=O)c1ccc(-c2[nH]c(S(C)(=O)=O)nc2-c2ccccc2)cc1 95602889 AMPDYFMIFKVPDX-UHFFFAOYSA-N 376.459 2.551 0 1 GFAF COC(=O)C[C@@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587776582 YCDVRCZTKRUFRB-QGHHPUGFSA-N 394.244 2.719 0 1 GFAF CS(=O)(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586995255 IDKGMCAUCYVOEL-CQSZACIVSA-N 381.251 2.811 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583837 VIBMAVZEVBEBHO-LZFQIVBZSA-N 397.427 2.607 0 1 GFAF COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454686 VYBNLGRNGYCACH-SZNDQCEHSA-N 382.368 2.630 0 1 GFAF CCNc1cccnc1N1CCN(C(=O)C2=Cc3cc(OC)ccc3C2)CC1 11677415 SBLHYDNNYBOUIJ-UHFFFAOYSA-N 378.476 2.810 0 1 GFAF in-man COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)CCSC)C1)CC2 12315963 DMGCIYUGINHPDI-QGZVFWFLSA-N 378.538 2.806 0 1 GFAF CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2nccn2C)cc1 12316496 QXEVUFCCCSDHFY-OAQYLSRUSA-N 394.519 2.582 0 3 GFAF N=C(N)N1CCc2ccc(OCC3CCN(Cc4ccncc4)CC3)cc2C1 13644360 VGQDFGALGMGJMK-UHFFFAOYSA-N 379.508 2.624 0 1 GFAF C[C@@H]1COCCN1c1cc(C2([S@](C)=O)CC2)nc(-c2cc[nH]c3nccc2-3)n1 1857773362 DECPCPPVVJLPSN-QYSRSOONSA-N 397.504 2.564 0 1 GFAF CC(=O)O[C@@H]1C[C@@H]2C(=O)O[C@H](c3ccoc3)C[C@@]2(C)[C@@H]2C[C@@H]3C[C@H](C(=O)O3)[C@@H]12 100778551 DYSOIAQEKRDXRB-MUWKCMFFSA-N 388.416 2.793 0 1 GFAF endogenous,in-man C=CCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@@H](C)C(=O)N1CCN(C)CC1)CC2 25204785 KKGYPARBZLTFDD-ZWDAVXSWSA-N 386.536 2.874 0 1 GFAF biogenic Cc1cc2c(c(=O)o1)C[C@@H]1[C@](C)(CC[C@@H]3C(C)(C)OC(=O)C[C@H](O)[C@@]31C)O2 2356460124 JZUWHWXBAGVOIA-JUTSDSCYSA-N 376.449 2.761 0 1 GFAF Oc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCNCC3)n2)c1 64235542 PTYUIVIVEVKBIB-UHFFFAOYSA-N 387.447 2.879 0 1 GFAF CCCCn1cc(NC(=O)CCc2nc(-c3ccc(O)cn3)no2)c(C(=O)O)c1 1911584767 MGDQHMRJRICPJN-UHFFFAOYSA-N 399.407 2.708 0 1 GFAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@@H](NCCCc4ccccc4)CO[C@H]23)n1 36368609 FVPIGFJANQFGHP-UYWIDEMCSA-N 396.535 2.943 0 1 GFAF biogenic CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@]1(CC(N)=O)C(=O)O)CC2=O 587468387 FZDCQEFHVLZDLN-UXHICEINSA-N 375.421 2.569 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3ccnc(Br)c3[nH]2)CC1 586953295 RNFUZSVEJOIHDV-UHFFFAOYSA-N 387.303 2.719 0 1 GFAF CC1=C([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CN2NC=NC2=N1 587793829 LMFXPNLUTCJPJO-XLFHBGCDSA-N 392.276 2.830 0 1 GFAF COc1cc(-c2nc3ccc(CCO)cc3[nH]2)ccc1OCC(=O)NC(C)C 587226289 WKDYYPZVAHWJGX-UHFFFAOYSA-N 383.448 2.677 0 1 GFAF CN(C)C(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580286 BVZVOVHWGJNHFQ-KRWDZBQOSA-N 382.416 2.870 0 1 GFAF COc1cc(OC)c2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1 586927747 XFAVCTUXAWPASB-UHFFFAOYSA-N 388.445 2.799 0 1 GFAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O 587433179 VVBUDIONZSNEBH-HRAATJIYSA-N 376.368 2.608 0 1 GFAF COC(=O)[C@@H]1CC[C@H](C)[C@@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962661910 IJZTVCMCZUVBRA-PYXPWJLNSA-N 382.460 2.748 0 1 GFAF Cc1cc(NCCCN2CCOCC2)n2nc(SCc3ccccc3)nc2n1 1772620969 KVPUSTJPKGPFHD-UHFFFAOYSA-N 398.536 2.859 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)OC[C@H]1CCN1Cc1ccccc1)C2 1772578025 VTANVYCMTPJTLR-IEBWSBKVSA-N 395.455 2.877 0 1 GFAF O=C(Nc1ccccn1)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O 5940689 VRLSWQCEDYQGFQ-UHFFFAOYSA-N 392.849 2.885 0 1 GFAF O=c1ccoc2ccc(OCCCCN3CCN(c4ncccn4)CC3)cc12 12356258 IEXFIAQAMBALMB-UHFFFAOYSA-N 380.448 2.564 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC3(CCNC3)C2)cc1)N1Cc2ccccc2C1 166692344 MSUSAQGMJCJCBG-UHFFFAOYSA-N 376.460 2.670 0 1 GFAF Cc1ccccc1CN1CCN(c2cnnc(O)c2Br)[C@H](C)C1 1857534675 HJKQOMMTUDYNHY-CYBMUJFWSA-N 377.286 2.964 0 1 GFAF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4053190 WXORIUAHAIUONU-QWFCFKBJSA-N 377.444 2.563 0 1 GFAF O=C(N/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1 5155556 MFAATXPIDLTGPQ-VJSYINPZSA-N 382.391 2.672 0 1 GFAF CCONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1 14974203 JGGHHUHKLRMREP-UHFFFAOYSA-N 383.408 2.558 0 1 GFAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1c(-c3cccc(C#N)c3)ccc(=O)n1C2 25236464 RRYSGDRDGZAQPF-AEFFLSMTSA-N 397.500 2.546 0 1 GFAF biogenic CCOCCOC(=O)C(=O)Nc1nc(-c2cc(-c3ccccc3)on2)cs1 27703701 SZYFYIFCEBIRFQ-UHFFFAOYSA-N 387.417 2.983 0 1 GFAF CNc1ncc2c(n1)n(-c1cccc(OC)c1)c(=O)n2Cc1c(F)cccc1F 40949907 ZGPSYEBKBSDPDD-UHFFFAOYSA-N 397.385 2.959 0 1 GFAF COC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(C)C)n(C)c2)n(C)c1 43122208 JKHGXWZVGHHUNE-UHFFFAOYSA-N 389.456 2.570 0 1 GFAF Cc1csc2ncnc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)c12 64548412 QXTKUULGJYJUIB-KRWDZBQOSA-N 398.532 2.998 0 1 GFAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccco2)C1 82142617 JCEBGHMVNZYVIH-GDBMZVCRSA-N 399.495 2.935 0 1 GFAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95667511 FPTBRZQVVOHAIN-IAGOWNOFSA-N 382.426 2.780 0 1 GFAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1)c1cccnc1 95894931 BUTOOXDHWZTZNV-YPAWHYETSA-N 379.504 2.831 0 1 GFAF CC(C)(COc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](O)CO 96175105 BJSRODNZIHDLGO-KRWDZBQOSA-N 378.432 2.703 0 1 GFAF CCO[C@H]1C=C2c3cc4c(cc3C(=O)N(CC)[C@H]2[C@@H]2OC(C)(C)O[C@H]12)OCO4 96909477 BZDSZMWRPOAPEI-MANSERQUSA-N 387.432 2.582 0 1 GFAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccon1 148529731 ZWIPDTZSZGRWCK-AWEZNQCLSA-N 385.445 2.610 0 1 GFAF O=C(NCCc1c[nH]cn1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167921233 SPBUMEYYJYDHSU-UHFFFAOYSA-N 375.432 2.930 0 1 GFAF C/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@]2(C)CC[C@H](O2)[C@H]1C)C(N)=O 255213699 GRVRRAOIXXYICO-XVBWCICRSA-N 395.540 2.534 0 1 GFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc4c(cc3[nH]2)OCCO4)s1 587024332 VUMMBMALFNNEFO-UHFFFAOYSA-N 389.437 2.545 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587091105 AZOMCZUQJKLKCG-UHFFFAOYSA-N 388.371 2.963 0 1 GFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)[C@H](C)F)[nH]c2c1 587126066 VKTFOYCJJYPTHW-QFYYESIMSA-N 378.429 2.730 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1N1CCOCC1)CC2=O 587474374 CVEPXGWZBOXYLR-GOSISDBHSA-N 385.464 2.930 0 1 GFAF CN(C)C(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580292 BVZVOVHWGJNHFQ-QGZVFWFLSA-N 382.416 2.870 0 1 GFAF COC(=O)[C@@H]1N2CCC(CC2)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587790641 IYTBLOITBGDSLY-KAWXRDEMSA-N 397.288 2.585 0 1 GFAF COc1cccnc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 653745806 XUAWBPQMUFNTOS-UHFFFAOYSA-N 387.447 2.546 0 1 GFAF Cc1c(O)ccc2c1[C@H](c1coc(-c3ccc4c(c3)OCO4)n1)N[C@H](C(=O)O)C2 963528515 SYWMHBDDHCCYIR-DJJJIMSYSA-N 394.383 2.773 0 1 GFAF COc1cc2c(c(OC)c1)C[C@H]1c3cc4c(cc3C[C@@H](C(=O)O)N1C2)OCO4 1857605397 ILXIEWBFOCVCTR-IRXDYDNUSA-N 383.400 2.541 0 1 GFAF C[C@@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 103265293 RBULLMHVZYBTHL-VQHPVUNQSA-N 398.507 2.798 0 1 GFAF O=S(=O)(c1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cccs1 20685749 NOKANQIWQJRGGW-UHFFFAOYSA-N 398.525 2.800 0 1 GFAF CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cc(O)cc12)c1cccc(Cl)c1 114345997 REICLTJSLHAADW-MRXNPFEDSA-N 385.855 2.803 0 1 GFAF CSC(=O)NCCCN(CCCCNC=O)C(=O)C=Cc1ccccc1 2356669456 CGBLBCRVDKYKCU-UHFFFAOYSA-N 377.510 2.517 0 1 GFAF O=Cc1ccccc1-c1cccn([C@H](CN2CC[C@H](O)C2)c2ccccc2)c1=O 36190555 RCERLLBHZQVWIV-NZQKXSOJSA-N 388.467 2.984 0 1 GFAF COc1ccc(CS(=O)(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1N 71341985 PYJFLKCUMBBBHT-MDZDMXLPSA-N 393.461 2.889 0 1 GFAF NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82084599 IZBUBMHTJDHBBS-CQSZACIVSA-N 387.486 2.920 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)NC(C)C 95872029 PPJMPPKACZISSS-YPAWHYETSA-N 395.503 2.736 0 1 GFAF CCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 253917131 GILYTJDQDXXBEX-PMMGOAQLSA-N 381.472 2.616 0 1 GFAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cncc(C)c2[nH]1 586945736 KYMDFNHYCUPZSI-AWEZNQCLSA-N 386.477 2.699 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Br)nc2[nH]1 587231175 MIOFSFKUCWAAPB-QWRGUYRKSA-N 381.274 2.757 0 1 GFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587193737 FREKPUTYSORYHF-OAHLLOKOSA-N 389.500 2.782 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587006186 AEASCIKTZQLTIM-UHFFFAOYSA-N 392.238 2.516 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12 587166728 HOLOLFARYDWELD-KHPPLWFESA-N 388.424 2.604 0 1 GFAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2F)c1 587144451 YLJUJNIGUVSMOJ-UHFFFAOYSA-N 396.334 2.944 0 1 GFAF CC(C)(C)OC(=O)N1CC2(CSC[C@]23NCCc2c(C(=O)O)cccc23)C1 963125020 RQEXNVNDLYIPON-HXUWFJFHSA-N 390.505 2.710 0 1 GFAF O=S1(=O)[C@H](F)CCCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 148530285 VJTPPACOCPLBBX-LIRRHRJNSA-N 376.453 2.877 0 1 GFAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccnn3C)c2)c2cncnc21 169707931 SNQQCPSJJTUNLF-UHFFFAOYSA-N 389.419 2.624 0 1 GFAF CC(=O)NCCNc1ncnc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc12 4268468 CNONFIYLNOHALE-UHFFFAOYSA-N 377.448 2.547 0 1 GFAF Cc1oc(-c2cccs2)nc1C[S@](=O)CC(=O)NCCCOC(C)C 3959277 ZXLHAVRXMWZOSL-RUZDIDTESA-N 384.523 2.892 0 3 GFAF NS(=O)(=O)c1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 1857568543 ADQUAQPSRGCNDG-UHFFFAOYSA-N 381.255 2.585 0 1 GFAF CC[C@@H]1C[C@@H]2CN3CC[C@]4(O)C(=Nc5ccc(OC)cc54)[C@@](C(=O)OC)(C2)[C@@H]13 6002300 AVRFPRAAVSCSSZ-OFWJLMDXSA-N 384.476 2.652 0 1 GFAF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(CCCc2ccccc2)CC[C@]1(C)O 2356289096 PLPVTHQDPLTIIS-SMIHKQSGSA-N 396.531 2.948 0 1 GFAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(Cl)nc2sc(C)cn12 29132258 NNUPLOVQJNHFLU-UHFFFAOYSA-N 395.868 2.938 0 1 GFAF Cc1cn(S(=O)(=O)c2ccccc2)cc1C(=O)NCc1c(C)cc(N)nc1C 114078096 BYMDCGFTGBZJBB-UHFFFAOYSA-N 398.488 2.558 0 1 GFAF O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@H](Cc3ccccc3)[C@@]23C=C[C@H]1O3 100846345 FFCSIQDHUAMNEF-MZSWFSNMSA-N 375.424 2.665 0 1 GFAF C[C@H]([C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925223 ASYNKIUHLPMXKX-AWWOCDGXSA-N 380.569 2.966 0 1 GFAF CC(C)(O)[C@H](O)CCC(=CCCC(=CCCc1ccoc1)C(=O)O)C(=O)O 2356540109 MLYVKQKXGXBDRS-QGZVFWFLSA-N 380.437 2.926 0 1 GFAF CC(=O)O[C@@H](CC(C)=CCCC(C)=CCCC(=CCO)CO)[C@@H](O)C(C)(C)O 2356590075 DBAHGLBNNDLYHN-LEWJYISDSA-N 398.540 2.804 0 1 GFAF C[C@H](O[P@](=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 26182517 FBRHZKXPKIPHME-HOCLYGCPSA-N 383.381 2.675 0 1 GFAF OCCN1CCN(CCCN2Cc3ccccc3CCc3ccccc32)CC1 22575046 UOIYZDUYTZXKDI-UHFFFAOYSA-N 379.548 2.792 0 1 GFAF CS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 35983598 QVHNGLRPAQDRMO-AWEZNQCLSA-N 397.493 2.628 0 1 GFAF Cc1nc(N2CC(c3nc4cccc(F)c4n3C)C2)cc(-n2nc(C)nc2C)n1 223563071 OSJZXDKBZKYGKO-UHFFFAOYSA-N 392.442 2.612 0 1 GFAF COc1cccc2cc(C(=O)Nc3n[nH]c(Cc4ccccc4)n3)c(=O)oc12 40010154 JZSLLYHFZRCVFG-UHFFFAOYSA-N 376.372 2.763 0 1 GFAF CCCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccccc2)n1 82133119 UABLYVCXWWBPIZ-UHFFFAOYSA-N 381.480 2.660 0 1 GFAF CC(=O)NCCn1c(C(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 82187539 ZGDKRRVHTOMRLJ-UHFFFAOYSA-N 384.459 2.880 0 1 GFAF COc1ccccc1OCCNC[C@@H](O)COC1C2CC3CC(C2)CC1C3 96939679 BOZCUDPMXNCFEO-KYWQTCFSSA-N 375.509 2.866 0 1 GFAF O=C(NCc1ccccc1)[C@H]1C(=O)Nc2ccccc2C(=O)N1Cc1ccccc1 95600919 YWPBROPVOBIYQF-NRFANRHFSA-N 399.450 2.966 0 3 GFAF Cc1cc(N2C(=O)c3nn(C)c(O)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O 261120519 JKUNIMOTGXIVSR-INIZCTEOSA-N 384.823 2.536 0 1 GFAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2N1 587122212 ASBFNRYWAFHDKY-AMIZOPFISA-N 389.345 2.710 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587438859 RQDSOPRJNUBUGQ-AOMKIAJQSA-N 377.396 2.888 0 1 GFAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cnncc2[nH]1)c1ccc(F)cc1 587170930 VDGYYBRYZUVTHE-KRWDZBQOSA-N 383.408 2.560 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc[nH]c(=N)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240279 RXUVEPNWVMKORF-FYYVMTAXSA-N 387.484 2.925 0 1 GFAF CN=c1nc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]s1 587860111 ZYTUCCHTDZZLOB-ANRSDYALSA-N 385.306 2.895 0 1 GFAF COC1=CN(C)C(C(=O)O)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587761419 UFYQWEREPTUIMZ-HUTHGQBESA-N 397.244 2.719 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@](CC(=O)CCCO)(c3ccccc3)c3cccc1c32 963037565 VPIZTXMQZZBSQY-WAIKUNEKSA-N 378.472 2.715 0 1 GFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 1772652736 NREHNTHCACQXNW-ZDUSSCGKSA-N 392.198 2.831 0 1 GFAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13OC[C@@H](C[C@@H]21)[C@@](O)(C(C)C)[C@@H]3O 16971576 HRQUJKIMIXCOBO-HBOWFIFVSA-N 380.525 2.919 0 1 GFAF CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 1857623483 ANIDXNZCYPDMLG-FECCMRJLSA-N 388.504 2.626 0 1 GFAF Cc1ccc(S(=O)(=O)Nc2ccc3c(n2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857634758 VOWQGJCRPWQGFC-ZDUSSCGKSA-N 386.477 2.525 0 1 GFAF CC(C)c1cc2cccc(C(=O)NC[C@H]3[C@@H]4CN(CC5CCOCC5)C[C@H]34)n2n1 1857639207 BNLJBDBAFDHHJK-OWZKRDHZSA-N 396.535 2.792 0 1 GFAF Cc1cc2c(nc1N1CC[C@@H](Oc3ccc4c(cnn4C)c3)[C@@H](F)C1)CNC2=O 1857639964 NESYBDNWKKLCGP-QFBILLFUSA-N 395.438 2.516 0 1 GFAF O=c1oc2ncccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 598231 DDPNSZOGLGMFIO-UHFFFAOYSA-N 392.381 2.831 0 1 GFAF CN(CCOc1ccc(C[C@@H]2OC(=O)NC2=O)cc1)c1nc2ccccc2o1 604672 KPONVTMPKZYMIO-KRWDZBQOSA-N 381.388 2.521 0 1 GFAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C[C@@H]2OC(=O)[C@]4(C)C(=O)CC[C@@]3(C)[C@@H]24)CO1 2356442686 MMALGGPAFYVCCV-HDGKWHFASA-N 378.465 2.624 0 1 GFAF O=C(C1=CC2=N[C@@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1)N1CCCC1 104032735 WBKHQMRKDZVDET-UKRRQHHQSA-N 382.361 2.926 0 3 GFAF Cc1nc(C(=O)Nc2cc(Br)cc([C@]3(C)COCC(N)=N3)c2)co1 113655263 DIDQGOKRIHNPTF-INIZCTEOSA-N 393.241 2.600 0 1 GFAF COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(O)cc2OC)cc1O 28965767 OTWGKUIKFHQDCG-VOTSOKGWSA-N 380.418 2.709 0 1 GFAF CC=C1CN2CC[C@H]1[C@@](COC(C)=O)(C(=O)OC)c1[nH]c3ccccc3c1C2 2356453637 FFOLRDAPZBOCPV-XMSQKQJNSA-N 382.460 2.924 0 1 GFAF CN1C(=O)N2C[C@H](CN3CCN(c4ccccc4)CC3)N=C2c2ccccc21 22940684 DTQSNPZHCWXURD-KRWDZBQOSA-N 375.476 2.509 0 1 GFAF CC[C@H](O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 14708563 ALFZPGQZISPNOG-QWHCGFSZSA-N 390.432 2.855 0 1 GFAF biogenic CO[C@H]1[C@@H]2[C@@](C)([C@H](O)CC=C(C)C)N(c3ccc(F)cc3)C[C@@]2(O)CC[C@H]1O 199723525 FKJWVSBKIYPOCR-ILHTXMRTSA-N 393.499 2.639 0 3 GFAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3c(F)cccc3F)nc12 95588582 VFPOQNYBMHUKRY-UHFFFAOYSA-N 393.371 2.842 0 1 GFAF CCNC(=O)Nc1cc(NCc2cccnc2)c(C(=O)Nc2cccnc2)cn1 144790921 DTLIOBULPHFNCN-UHFFFAOYSA-N 391.435 2.877 0 1 GFAF O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95893437 WNFOQKHCSKOLHA-PCCBWWKXSA-N 391.471 2.588 0 1 GFAF O=C1c2c(O)cc(O)c(Cc3ccc(O)cc3)c2O[C@H](c2ccc(O)cc2)[C@H]1O 43019856 HELLEJINRNHBKU-LEWJYISDSA-N 394.379 2.777 0 1 GFAF biogenic COc1ccc([C@H](C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1OC 473129035 DYCJEZBPGBQOFM-ZDUSSCGKSA-N 394.449 2.526 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1c(OC)c(OC)nc(OC)c1OC)[C@@H](C2)C3=O 587435131 DABMAAOTXIRVKM-MEDUHNTESA-N 387.388 2.613 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCCN(C(C)=O)C1 587869459 IPLUYWPLFOTCFI-CYBMUJFWSA-N 396.369 2.871 0 1 GFAF N=c1[nH]c2nc(Cn3c(-c4cscn4)nc4ccccc43)nc-2c(Cl)[nH]1 587029785 UDJCIUCAAPROIB-UHFFFAOYSA-N 382.840 2.892 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCOCC3)nc3ccccn13)O2 587393521 IKLPNRFRNOOJHH-KRWDZBQOSA-N 378.432 2.768 0 1 GFAF CN(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1cccnc1 586928853 LZBCUZMUADVNPZ-UHFFFAOYSA-N 388.346 2.937 0 1 GFAF O=C([C@@H]1Cc2ccccc2C2(CCC(N3CCOCC3)CC2)N1)C(F)(F)F 962709877 KHXZGWPMRAWDDR-RMXPPQQLSA-N 382.426 2.802 0 1 GFAF Cc1c(O)ccc2c1[C@](C)(CC(=O)N[C@H]1CCc3ccccc31)N[C@H](C(=O)O)C2 963548360 FIUYIRMDFCKSJA-BSRJHKFKSA-N 394.471 2.709 0 1 GFAF CNCCN[C@@H]1CC[C@@]23C[C@@]4(CCC[C@H]14)[C@@H]2[C@@H](O)C[C@@]1(C)CCC[C@@]3(O)C1 2356351742 FHKHPLRWVFJOBM-YQSHVWEHSA-N 376.585 2.827 0 1 GFAF CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCO)c1 4152611 PBZZQNGKXAOCSU-FPOVZHCZSA-N 398.459 2.684 0 1 GFAF CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCO 4205830 VEWIGYIAPYGLFU-PKOBYXMFSA-N 388.851 2.939 0 1 GFAF CCN(CC)CCCNC(=O)c1ccc(-n2c(=O)c(O)nc3ccccc32)cc1 8584265 KGGXIVRZZPDDPJ-UHFFFAOYSA-N 394.475 2.553 0 1 GFAF O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2CCO)C[C@@H]2CC[C@@H]1N2 100632777 GSGOSZTWXXTXDZ-KSSFIOAISA-N 382.485 2.816 0 1 GFAF CC(=O)c1c(/C=C(/O)CC(=O)O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2 100073761 OVIPDYYHLHEFDF-YIXHJXPBSA-N 384.340 2.515 0 1 GFAF in-vitro CN1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]1c1cccc(Br)c1 28647696 BDCPNJGLOQTCRR-ARFHVFGLSA-N 387.233 2.925 0 1 GFAF COc1ccc2c(C(=O)N[C@H](CC(=O)O)C(=O)O)cccc2c1C(F)(F)F 28381149 BZAQDSSSAOVZBH-LLVKDONJSA-N 385.294 2.525 0 1 GFAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC(=O)[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2356517007 SHRGTLYZJIVTMQ-ZIOKDHPXSA-N 386.488 2.992 0 1 GFAF C[C@@H]1C(=CC(=O)N(C)CCO)CC[C@@H]2[C@@H]1[C@H](O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@]12C 2356527022 TVMAIDIIHRPKGC-NSKDLONDSA-N 393.568 2.594 0 1 GFAF CCn1cnnc1CN(C)C(=O)c1cc(-c2cn[nH]c2)nc2cc(F)ccc12 20540035 DYOJEYKOCOSACN-UHFFFAOYSA-N 379.399 2.648 0 1 GFAF COCC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27852401 PJPXRJZYIMVERE-HOTGVXAUSA-N 381.384 2.514 0 1 GFAF C[C@@]12C(=O)N(Cc3ccc(F)cc3)CC(=O)N1CCc1c2[nH]c2ccccc12 2106928 KKMLPOKPALJSRV-JOCHJYFZSA-N 377.419 2.949 0 1 GFAF biogenic C[C@@]1(c2sc(Br)cc2Cl)CS(=O)(=O)C2(CC2)C(N)=N1 217742247 ZNZPZRPWPPCIGM-JTQLQIEISA-N 383.720 2.697 0 1 GFAF Cc1nc2ncc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C 1911575335 UGBYLWDWCJRCLT-UHFFFAOYSA-N 391.262 2.667 0 1 GFAF CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC)nc1-c1ccco1 82216558 XQBWGCJITCFTFZ-UHFFFAOYSA-N 390.484 2.708 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(C(=O)c2ccccc2)C3)cc1 95667992 KJSMTYFUTMFWLU-XNDWAXEZSA-N 390.483 2.921 0 1 GFAF CC1CCC(NC(=O)c2cc3ccccc3n(CCN3CCOCC3)c2=O)CC1 299860951 KBIHNOMRXOXFIV-UHFFFAOYSA-N 397.519 2.642 0 1 GFAF O=C1Cc2cc(NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)ccc2N1 653905215 QPAYENROBZKJBD-UHFFFAOYSA-N 395.365 2.922 0 1 GFAF CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12 653845483 VGSHGMJKSVXBDR-UHFFFAOYSA-N 388.468 2.980 0 1 GFAF CC(C)Oc1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2cc1Br 587971221 WIWYEZQLHPVNTG-RYUDHWBXSA-N 383.198 2.611 0 1 GFAF O=C(O)CCNS(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587216554 FHMTWPPIFMLBQI-UHFFFAOYSA-N 382.441 2.753 0 1 GFAF Cc1cc(C)cc(Oc2nc(NCCn3ccc(O)nc3=O)ncc2Cl)c1 1772581086 HJRJOUGFJSQMJP-UHFFFAOYSA-N 387.827 2.914 0 1 GFAF COC(=O)c1c[nH]c2cc(N3CCN(c4ccccc4)CC3)c(C)cc2c1=O 1772650929 PBRQUKQXTMZHAF-UHFFFAOYSA-N 377.444 2.950 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4cccc(C)c4)C3)n2)c1 1772643761 CHHBYEAFXMXWHC-UHFFFAOYSA-N 390.447 2.551 0 1 GFAF COc1ccc(CCN2C[C@@H](C(=O)NCc3cnn(C(C)C)c3)CCC2=O)cc1 12588815 PJSRRTMAHRZVQE-IBGZPJMESA-N 398.507 2.570 0 3 GFAF C[C@@H](O[C@@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O)c1ccc(Cl)c(Cl)c1 13582216 GDRGKWCVUFTHBE-KXRFAQBZSA-N 392.210 2.664 0 1 GFAF O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1c1ccc2c(c1)OCCO2 16031330 MIWVTGHNVAWWSK-QGZVFWFLSA-N 375.384 2.833 0 1 GFAF biogenic CC(=O)Nc1ccc(Cn2ccc(=NC(=O)Cc3ccc(N(C)C)cc3)[nH]2)cc1 1857755373 AMXSWGRIUVSMFM-UHFFFAOYSA-N 391.475 2.559 0 1 GFAF CC(C)(CN1CCN(Cc2ccccc2)CC1)NS(=O)(=O)c1ccccc1 21487226 YPVHUAMGWWJYBP-UHFFFAOYSA-N 387.549 2.561 0 3 GFAF CCN1CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)C[C@H]3CCC[C@H]3N2C1 103204543 CXDUWEFMMJCTMZ-HUUCEWRRSA-N 377.876 2.760 0 1 GFAF COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1Cl 114574101 RTOXKFXUENENCI-CQSZACIVSA-N 376.844 2.628 0 1 GFAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccccc1 2356559945 KRAGWAXBWDXNLG-QIJZPMMNSA-N 386.540 2.629 0 1 GFAF CC=C1CN2CCc3c([nH]c4cc(OC)ccc34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356725254 BCRDPGDQDVFPNE-HBFSDRIKSA-N 384.476 2.823 0 1 GFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](CO)c4cccnc4)ncc23)ccn1 219761250 MRQQRGNANQYSCQ-QGZVFWFLSA-N 389.419 2.578 0 1 GFAF CCN1CCN(C[C@H](O)COc2ccccc2C(=O)CCc2ccccc2)CC1 73163832 HQFTZDXZUFANGI-NRFANRHFSA-N 396.531 2.879 0 1 GFAF O=c1cccnn1-c1ccc2nc(N3CC[C@@H](N4CCCCC4)C3)sc2c1 43208664 WMEBAKGEWNSXBC-MRXNPFEDSA-N 381.505 2.907 0 1 GFAF COC[C@H]1CCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146272650 CXSSYNNZICYZNA-CQSZACIVSA-N 381.423 2.577 0 1 GFAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccc(C#N)c2)c1=O 25429264 GUAWCQMMNVWAOK-WBVHZDCISA-N 379.485 2.696 0 1 GFAF biogenic O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@@H](C(=O)O)[C@H]1CC3 586989928 STDMIVYNMQQZHX-ZWTFIKMHSA-N 386.407 2.854 0 1 GFAF COC(=O)c1cccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c12 587024043 LPAZJMZDOSWNKT-UHFFFAOYSA-N 389.437 2.561 0 1 GFAF O=c1c(-c2nc3cnncc3[nH]2)cc(Br)cn1Cc1ccccc1 587006021 FKXFMIBUVJZESS-UHFFFAOYSA-N 382.221 2.992 0 1 GFAF COc1cc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2cc1F 587202773 LJEBAXHZKXKPRY-HNNXBMFYSA-N 387.367 2.633 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1cccnc1)CC2=O 587483974 GYZVHISFSCJBRC-IBGZPJMESA-N 375.446 2.645 0 1 GFAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnnc(O)c3[nH]2)C[C@@H]2CCCC[C@H]21 586957790 FCLNKVHMFTVRIW-MAZHCROVSA-N 399.476 2.753 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C(C)=O)CC4)cc1)[C@@H](C2)C3=O 587441728 GYHILPVBNJHSAS-WMZHIEFXSA-N 392.455 2.852 0 1 GFAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3ncnn3c2)N1 962697815 MJPSZFMKJIJKQA-DZGCQCFKSA-N 380.301 2.576 0 1 GFAF CCC(=O)OC1=C(C)OC=C[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963225266 CZDSTOPQRBNIKR-DYESRHJHSA-N 380.400 2.758 0 1 GFAF O=C(NC(=O)C(F)(F)F)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 1470862 WZFCRCQMADZCQE-WYMLVPIESA-N 380.366 2.655 0 1 GFAF COc1ccc(C(=O)N2CCC[C@H](CO)C2)cc1OC1CCN(C(C)C)CC1 12588452 HKSRDFUJNDLFHI-KRWDZBQOSA-N 390.524 2.791 0 3 GFAF C/C1=C/[C@@H](O)C(C)(C)CCC[C@@](C)(O)[C@H](O)C[C@H]1OC(=O)c1ccc(O)cc1 169692875 PTXVSFQAEBBMCK-FSVKWTTRSA-N 392.492 2.937 0 1 GFAF CCOC(=O)Cc1cc2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2cn1 27549982 UMQPCQMSYDKGOZ-UHFFFAOYSA-N 376.416 2.877 0 1 GFAF COc1cc(-c2nc3c([nH]2)C2=N[C@H](C)CN2C(=O)N3Cc2ccccc2)on1 72108905 TZUCWLTXMJAOCP-LLVKDONJSA-N 378.392 2.664 0 1 GFAF COc1cc([C@H]2C3=C(Cc4cc5c(cc42)OCO5)C(=O)OC3)cc(OC)c1OC 14514561 CBMCBZOJCIZZTR-HXUWFJFHSA-N 396.395 2.983 0 1 GFAF biogenic COc1cc(C[C@H]2COC(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)ccc1O 238782603 KTBONQWAVWHBCB-UUINEXAVSA-N 386.400 2.923 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN[C@@H](C(=O)O)[C@@H]31 586989364 GHYAYECDAZVGNR-ONSGQHNLSA-N 386.407 2.854 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c1 587022794 YRAOBCCCNNFSOR-JTQLQIEISA-N 380.495 2.770 0 1 GFAF COC(=O)C[C@@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587776579 YCDVRCZTKRUFRB-BTDLBPIBSA-N 394.244 2.719 0 1 GFAF C[C@@H]1CC2(CC[C@]13N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c13)OCCO2 962966815 AMLCKMZEFBOFDA-IYYXKQCESA-N 387.810 2.976 0 1 GFAF CCCOc1ccc(NS(C)(=O)=O)cc1-c1nc(=O)c(CC)c(CC)[nH]1 139442532 MYEAYXBXVZUXDT-UHFFFAOYSA-N 379.482 2.722 0 1 GFAF COc1ccccc1CN1C[C@@H](C(=O)N(Cc2cnn(C)c2)C(C)C)CCC1=O 11814280 OBNCQKGORYCKOP-IBGZPJMESA-N 398.507 2.605 0 3 GFAF COC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496647 NKPHVJAVUYSGSZ-FBAVSBLXSA-N 396.418 2.516 0 1 GFAF COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496664 XWKQYSFFCKQMDI-FBAVSBLXSA-N 396.418 2.516 0 1 GFAF COCCCCCCCOc1cc(C[C@H]2CNC(=N)NC2=N)ccc1OC 13757858 NNHKDVFXOLTUMW-INIZCTEOSA-N 376.501 2.934 0 1 GFAF CCN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1 19528012 BGAZRVSACKQUFI-SFHVURJKSA-N 386.500 2.649 0 3 GFAF COc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1 205253283 AULGETLJHUOABE-UHFFFAOYSA-N 387.447 2.500 0 1 GFAF CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC3)c21 2459206 WWPVXQNXQBCXOF-UHFFFAOYSA-N 387.299 2.533 0 1 GFAF O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1-c1ccccc1 4238205 ZVPVWAOUIKGYGA-UHFFFAOYSA-N 385.427 2.679 0 1 GFAF CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCC 26748932 GWLZMBFVBYHGBD-MSOLQXFVSA-N 391.512 2.749 0 1 GFAF NS(=O)(=O)c1ccc([C@@H](Nc2ccccn2)C(=O)c2ccc(F)cc2)cc1 27519717 KHQIMHGZGQLMJM-GOSISDBHSA-N 385.420 2.904 0 1 GFAF CN[C@H](C[S@@](C)=O)c1nccc2c1[nH]c1ccc(O)c(Br)c12 72107580 DTUWGVFAFSMFHN-STFLBKPXSA-N 382.283 2.823 0 1 GFAF biogenic CCOC(=O)CN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@@H]1C 72135898 FUPAQXIAYSURIA-JQAFLVLXSA-N 386.370 2.929 0 1 GFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@@H]3c3cccc(F)c3)cc2N1 82149479 DFBSMSXIFGLYCG-QGZVFWFLSA-N 381.392 2.848 0 1 GFAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCc1ccc(F)cc1 82213003 YAMHHZHTPTZTCZ-UHFFFAOYSA-N 379.443 2.653 0 1 GFAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3nccs3)C2)N1Cc1ccncc1 95794292 ARQRJZHJOOTXRU-TZIWHRDSSA-N 392.528 2.753 0 1 GFAF Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl 142146002 KYBHGOBKVJFZEB-UHFFFAOYSA-N 380.901 2.623 0 1 GFAF CCS(=O)(=O)c1ccc(N2CCCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146468416 YLLSFPFPLLACOF-UHFFFAOYSA-N 385.489 2.927 0 1 GFAF COc1ccc(-c2cc(=O)c3c(OS(=O)(=O)O)cc(OC)cc3o2)cc1 299854277 XDAYLGJQBQRSER-UHFFFAOYSA-N 378.358 2.659 0 1 GFAF COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(NC(=N)N)cc3)[nH]n2)c1 473249079 STMSXIGQDKDSHP-UHFFFAOYSA-N 380.408 2.652 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(OC)nc4[nH]3)c2)o1 586923400 KDTVZUAVFLPMAV-UHFFFAOYSA-N 399.432 2.553 0 1 GFAF COc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cn1 587178714 JJJDSUYHHWHFCJ-UHFFFAOYSA-N 396.188 2.829 0 1 GFAF COC(=O)c1cccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587201752 CCWGSXVWUBFANO-HNNXBMFYSA-N 397.387 2.792 0 1 GFAF N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCOC1 587248578 UIZPTRXLQJXATK-QGZVFWFLSA-N 392.868 2.591 0 1 GFAF CC(C)c1nc(C(=O)NC2[C@@H]3CN(CC4CCOCC4)C[C@@H]23)c2ccccn12 653780370 IZYUXJNZOBEOMC-IAGOWNOFSA-N 382.508 2.544 0 1 GFAF CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772638050 CDCXJSLZBXGCPN-INIZCTEOSA-N 388.851 2.845 0 1 GFAF CC(=O)NCc1onc(C)c1-c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1 1857592674 WUVRAMLGTYQHNJ-UHFFFAOYSA-N 391.493 2.815 0 1 GFAF COc1ccc2c(c1OC)CN1[C@H](CC(=O)O)Cc3cc4c(cc3[C@@H]1C2)OCO4 1857616811 NUGPYECDTBLMCS-YOEHRIQHSA-N 397.427 2.931 0 1 GFAF CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1 1324666 FFUDCAHDJPGDDO-UHFFFAOYSA-N 394.522 2.964 0 3 GFAF aggregator CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4046304 ZUXCDYLMILWGDG-PKOBYXMFSA-N 385.464 2.572 0 1 GFAF CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4[nH]ncc4c3)n2)c(=O)c1=O 101595838 GEWGELYHGXTZQJ-UHFFFAOYSA-N 377.408 2.647 0 1 GFAF Cc1c(C(=O)NCCO)sc2ncnc(Nc3cccnc3OC(C)C)c12 118828473 DFBCNFVDAUPUQV-UHFFFAOYSA-N 387.465 2.648 0 1 GFAF Cc1nnsc1C1=NN[C@H]2SC(c3c(-c4ccccc4)noc3C)=NN12 103215560 LRWHKKYVUGUHHU-MRXNPFEDSA-N 383.462 2.769 0 1 GFAF Cc1nc(N)cc(OC(F)F)c1CNC(=O)c1cnn(Cc2ccccc2)c1 114079548 QEIKRESSDYUHLL-UHFFFAOYSA-N 387.390 2.748 0 1 GFAF NC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(=O)O)OCO3 28112643 AYHGFXWUBFXKDW-UHFFFAOYSA-N 379.324 2.761 0 1 GFAF CC(C)c1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 117652410 BWMPFRQENZHKOO-QGZVFWFLSA-N 391.427 2.955 0 1 GFAF CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@@]32[C@@H](C)C(=O)O[C@H]12 2356771218 SIELXTGPFIGRLA-XKAMZJLFSA-N 387.476 2.607 0 1 GFAF CSc1ccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1 49111600 RUKZFVVTMGHHAM-AZUAARDMSA-N 389.565 2.605 0 1 GFAF CCNc1ncc(CC)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1 89469239 CTXJFTWZRLCIJZ-GOSISDBHSA-N 379.464 2.929 0 1 GFAF O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95866450 CQWXPMVLFQTZCV-AWRGLXIESA-N 390.483 2.651 0 1 GFAF COc1cc(-c2cn[nH]c2)cc2c(=O)nc([C@@H](N)Cc3cccc(F)c3)[nH]c12 95588182 RVYJKUWZLONOCK-INIZCTEOSA-N 379.395 2.703 0 1 GFAF COc1cc2nc(-c3cccc(C(=O)O)c3)nc(N3CCOCC3)c2cc1OC 299867022 XGWFQLYMCTZVSM-UHFFFAOYSA-N 395.415 2.849 0 1 GFAF COC(=O)[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587358009 PHLQTWJRBNJPOF-DJPFJPOOSA-N 386.375 2.839 0 1 GFAF COC(=O)c1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2n1 586974909 XVOBMPHRWLIUIF-INIZCTEOSA-N 384.461 2.855 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1 587251175 AKTFCRYYRGPNDK-UHFFFAOYSA-N 388.449 2.541 0 1 GFAF COCC(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924880 IBLWQWPLZNBCGK-PZJWPPBQSA-N 385.416 2.604 0 1 GFAF CC(=O)OC[C@@]1(C)C[C@H](O)C[C@]2(C)C(CCC3=CC(=O)OC3)=C(C)C[C@H](O)[C@H]12 14812709 HPUOCKVDJFCKTR-HRZDXHFQSA-N 392.492 2.678 0 1 GFAF O=C(O)CCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1/C=C/c1ccccc1 169687642 ZLEIAKOIGUCLNH-UJEKTLITSA-N 391.423 2.844 0 1 GFAF COc1c(-c2ccc3c(c2)OCO3)oc2c(OC)c3c(c(O)c2c1=O)OCO3 203529219 XTBGAGKCCBHAOT-UHFFFAOYSA-N 386.312 2.640 0 1 GFAF O=C(O)C(=C\c1ccc2c(c1)OCO2)/C(=C/c1ccc2c(c1)OCO2)C(=O)O 1619578 BFGVJWYCQSEQET-GFIWHYBVSA-N 382.324 2.780 0 1 GFAF CC(=O)/N=c1\c2c3c(ccc2cc2n1CCc1cc4c(cc1-2)OCO4)OCO3 1857618070 VKEHYWQLTWLKGC-QURGRASLSA-N 376.368 2.769 0 1 GFAF COc1ccc(CN2C[C@H]3CN(C(=O)C4CCCC4)CCN3C(C)(C)C2)cc1 2356309370 ZQPKAYDNNIFXPS-FQEVSTJZSA-N 385.552 2.992 0 1 GFAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC=CC(=O)OC)[C@H](C)[C@H](O)[C@H]2C 2356327991 MSFATTXTDHLTMG-HOIMRQEASA-N 396.524 2.832 0 1 GFAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(F)c1)C1=C(O)c3ccccc3C1=N2 104079582 SEYIUPCYFNKRNQ-OAHLLOKOSA-N 389.386 2.772 0 1 GFAF O=C(Nc1cc(Cl)ccc1N1CCCC[C@H]1CO)c1cnn2cccnc12 113654363 GYQKWBGFBNPDIR-AWEZNQCLSA-N 385.855 2.986 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@H](OC)[C@@]2(C)[C@@H]1C 2356611182 NPOXQTDQWIYLML-NBCZGMCQSA-N 376.449 2.818 0 1 GFAF CCN1CCN(C(=O)[C@@H](C)n2nc(C)c3sc4ccccc4c3c2=O)CC1 20466935 NPFMGKNCGBRDRB-CQSZACIVSA-N 384.505 2.645 0 1 GFAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NCc2ccccc2Cl)C[C@H]1O 2356761385 DLDNZRQBZHTLKQ-QGZVKYPTSA-N 387.911 2.698 0 1 GFAF c1cc2c(cc1O[C@@H]1OC[C@H]3[C@H]1CO[C@@H]3Oc1ccc3c(c1)OCO3)OCO2 14709336 XFIZIOXWCHEWOX-GOFCXKROSA-N 386.356 2.547 0 1 GFAF biogenic Cc1[nH]nc2nc(O)cc([C@H]3CC[C@H](NS(=O)(=O)CC4CCC4)CC3)c12 1911575013 YMIDWRMBEWRZOO-HDJSIYSDSA-N 378.498 2.718 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2 40919294 DGYVIVHGBHLFLV-QGZVFWFLSA-N 390.443 2.968 0 1 GFAF CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2cccs2)c1=O 45385214 BIBLAKNTLNUCAP-UHFFFAOYSA-N 386.502 2.679 0 1 GFAF CCN(CC)CCNc1cc(-c2cc(OC)c(OC)c(OC)c2)nc(N)n1 43079277 UICPHASQUIEHDC-UHFFFAOYSA-N 375.473 2.505 0 1 GFAF C[C@](CC(N)=O)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C1CC1 146216236 HWFRYNQHOHFLGR-QGZVFWFLSA-N 385.386 2.674 0 1 GFAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCCN1CCCC1 25430115 KHRUDXLIPJVXEU-MJGOQNOKSA-N 389.515 2.916 0 1 GFAF biogenic C=CS(=O)(=O)Nc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)c1 148189018 SQTRRYZTYLQPGQ-UHFFFAOYSA-N 398.492 3.000 0 1 GFAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(=O)CCCCC(=O)O 96095132 ZOMSIHPATHBPLP-WBIFQALJSA-N 384.469 2.540 0 1 GFAF in-vitro COc1c(C)cc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)c(C)c1C 653905772 VQAVSMCVDDOTTK-KRWDZBQOSA-N 377.510 2.918 0 1 GFAF COC(=O)[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587808794 PHECRVRAHPYUNP-CINOJJQCSA-N 384.245 2.860 0 1 GFAF CCn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580455 IBACNBHHJJMDKG-OXJNMPFZSA-N 380.356 2.550 0 1 GFAF O=S(=O)(O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587042364 SSNBJEQJYSSPMW-CVEARBPZSA-N 375.475 2.756 0 1 GFAF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H](C)N(C)C)[nH]c3c2)cc1 587189729 DAGWFCXETQVUAX-CYBMUJFWSA-N 388.493 2.865 0 1 GFAF Nc1ncnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 586961468 RPMCRUOKJWSYPZ-CFVMTHIKSA-N 398.492 2.630 0 1 GFAF COc1cc2c3c(c1)O[C@H](/C(I)=C/N(C)C)[C@@H](C2)C3=O 587429041 SNDFZSPUVIFPSF-OGNKFPGQSA-N 385.201 2.649 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c1)O2 587396349 JMMXSCXRDWHBMR-PEBXRYMYSA-N 397.475 2.630 0 1 GFAF COC(=O)c1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cn1 587124583 MXHCHTXUGCMWMJ-JVXZTZIISA-N 380.330 2.916 0 1 GFAF CN1CCN(c2ccc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)o2)CC1 962728272 DMGKWJBDCTZJOX-MAUKXSAKSA-N 393.409 2.767 0 1 GFAF C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 11422461 YNCNZXJRRRALAJ-HXPMCKFVSA-N 379.840 2.763 0 1 GFAF Cc1c(C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C[C@@H](O)CNC(C)C 13555975 HLLSNNTUXXLBMM-KRWDZBQOSA-N 399.516 2.599 0 1 GFAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@@H]3CCc4c(cnn4C)C3)nc12 1857752790 WUGWCTLQQHEWNY-MRXNPFEDSA-N 376.439 2.969 0 1 GFAF CCOC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C 14974209 HXEFORARMATYKJ-UHFFFAOYSA-N 383.408 2.558 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 769905 ZUXCDYLMILWGDG-IEBWSBKVSA-N 385.464 2.572 0 1 GFAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 2487441 DVYQIHVMUDNWEO-AEFFLSMTSA-N 376.497 2.824 0 1 GFAF CCCNC(=O)N1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1 6636182 ARSMADXJZNKMDL-QGZVFWFLSA-N 398.488 2.613 0 1 GFAF biogenic Cc1nonc1COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 28711841 PZPZRVXQQPCERC-ASSNKEHSSA-N 399.447 2.622 0 1 GFAF Cc1ccc(-c2noc(CC(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1 40901371 ODCZZAQQQCTMLK-UHFFFAOYSA-N 379.482 2.655 0 1 GFAF CS(=O)(=O)c1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 71335094 LNSOSNLLMFPBSI-UHFFFAOYSA-N 398.275 2.985 0 1 GFAF CC(=O)[C@@]1(O)[C@H](OCCO)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118921616 FBGJGNGEKNRRDL-QHKUYLHMSA-N 392.536 2.618 0 1 GFAF COc1cc2nc(N3CCCC3)[nH]c(=NCC[C@H]3CC[C@@H](N)CC3)c2cc1OC 473114699 PAHWYDHANGSEFT-IYBDPMFKSA-N 399.539 2.989 0 1 GFAF NS(=O)(=O)c1ccc(-c2ccc([C@@H](O)c3ccc(C(=O)O)cc3)cc2)cc1 473148666 GTYOZBBDZYFUBX-LJQANCHMSA-N 383.425 2.781 0 1 GFAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 586940663 BSGAUNUUWJLTGM-VOTSOKGWSA-N 397.382 2.722 0 1 GFAF N=c1[nH]cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc-2[nH]1 587092187 SNNBIIZCEUWILA-UHFFFAOYSA-N 378.236 2.739 0 1 GFAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587256267 CWJAEPXNIHAZSY-OAHLLOKOSA-N 381.480 2.996 0 1 GFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc3c(cc21)OCCO3 587486810 UMODMKLPDXNYHK-OAQYLSRUSA-N 381.384 2.929 0 1 GFAF COC(=O)C[C@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587776577 YCDVRCZTKRUFRB-BMLIUANNSA-N 394.244 2.719 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2nc[nH]n2)N1 587790891 JYNCNCHCDGRSTL-BMLIUANNSA-N 388.244 2.927 0 1 GFAF Cc1nc(NC(=O)c2cc(CNC(=O)C(C)(C)CO)ccc2Cl)[nH]c1C 1857642840 LHUGIBGLYVBKCT-UHFFFAOYSA-N 378.860 2.567 0 1 GFAF COc1ccc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3F)CC2)c(F)c1 1911584273 BIXAUPGLELMGCD-UHFFFAOYSA-N 390.386 2.580 0 1 GFAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@H](CNC(=O)c2cccnc2)C=C1C 2356314085 DOUFMKWVCOCOFL-SLFFLAALSA-N 387.524 2.819 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(C=CCO)cc3[C@@H]2CO)cc(OC)c1O 2356495451 SGRRPSBKBJVKJE-YWZLYKJASA-N 388.416 2.633 0 1 GFAF COCCN[C]1C=C(c2noc([C@H]3CCCN3Cc3ccccc3F)n2)C=CN1 2356849446 BAHGMMKIUHHKPS-GOSISDBHSA-N 398.462 2.772 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCCC[C@H]2CN(C)C)cc1 4195290 IOABODANLFEQFE-HKUYNNGSSA-N 396.553 2.994 0 3 GFAF OCC1=C(Br)C2=N[C@@H](c3ccccc3)C[C@H](C(F)(F)F)N2N1 100517271 QFWFZPOUUJVCIG-MWLCHTKSSA-N 376.176 2.880 0 3 GFAF CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1S(N)(=O)=O 113729034 VLHWVZKSWZPGQN-UHFFFAOYSA-N 399.472 2.725 0 1 GFAF COCC[n+]1ccc(CCC(=O)[C@H]2Cc3cc(OC)c(OC)cc3S2)cc1 28460673 NVUGDYFHDGXOKY-OAQYLSRUSA-N 388.509 2.856 0 1 GFAF Cc1ncc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCCOCC2)cn1 217086842 IYQDITIRGJDAPE-QGZVFWFLSA-N 392.862 2.771 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 31483315 FDFUXGSOHNJEAN-ZXIOEMQNSA-N 386.488 2.703 0 1 GFAF biogenic CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)CN)cc12 653720591 WKWPWYCQMSTPOB-QGZVFWFLSA-N 382.460 2.873 0 1 GFAF COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1cccc(F)c1)[C@@H](C2)C3=O 587428068 LYXRGOVJEZVQQA-HNAYVOBHSA-N 376.405 2.522 0 1 GFAF CN1CCN(c2ccc3nc(CCNC(=O)OCc4ccccc4)[nH]c3c2)CC1 587228565 SUNULYSIMXCKIJ-UHFFFAOYSA-N 393.491 2.784 0 1 GFAF CCOC(=O)[C@@H]1CCOC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587834625 LRGUJQUHBJCISP-ZMNCSTGQSA-N 386.261 2.917 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC)C[C@@H]1OC)CC2=O 587478719 SWBBHPCPCPVXHF-FXAWDEMLSA-N 377.437 2.926 0 1 GFAF NS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587609077 UPHIXCYWKDCNJB-YLJYHZDGSA-N 397.408 2.743 0 1 GFAF COC(=O)c1n[nH]c(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514535 ZJNXPBHVRWMYLC-QGZVFWFLSA-N 392.415 2.967 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1c(N4CCOCC4)nc4ccccn14)[C@@H](C2)C3=O 587437298 XFXXBYAKVNHBNE-YCRPNKLZSA-N 391.427 2.668 0 1 GFAF COC1([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CCOCC1 962973250 JSNWKLLNZQVRMY-LRDDRELGSA-N 375.799 2.628 0 1 GFAF Cn1cc(-c2c(Cl)c3c(Cl)cc(C(N)=O)nc3n2[C@H]2CCCNC2)cn1 1772620764 DFXMBRWAQKZCBG-JTQLQIEISA-N 393.278 2.767 0 1 GFAF CCCCCC[C@@H](C(=O)O)n1cnc(NC(=O)c2ccccc2-c2nn[nH]n2)c1 2013722 KWLRCNYKVQIFPO-HNNXBMFYSA-N 397.439 2.912 0 1 GFAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C[C@]3(O)OC(=O)C=C3[C@]2(C)O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356461847 WIHSWORKGXEYFX-FSIDFKFGSA-N 392.492 2.713 0 1 GFAF CCC(=O)O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@H]1OC(=O)CC)[C@H]23)OCO4 2356594651 FHZQSULZQZRVBO-XYEHWOGUSA-N 399.443 2.670 0 1 GFAF CC(=O)O[C@@H]1C(=O)[C@H](C)[C@]2(CC[C@]3(CO[C@H](O)C3)O2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356648335 WYYAQYOZQLIYRP-IWJHLKMNSA-N 394.508 2.996 0 1 GFAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4nccs4)C[C@H]3F)[nH]c2c1 2356666572 CKLKXKTYKYWDFQ-IUODEOHRSA-N 390.440 2.545 0 1 GFAF CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@H](NCCCc4ccccc4)CO[C@H]23)n1 2356822443 FVPIGFJANQFGHP-VURPSTOHSA-N 396.535 2.943 0 1 GFAF COc1c(OC)c(O)c2c(=O)c(O)c(-c3ccc4c(c3)OCO4)oc2c1OC 15271804 VEJKPQYWRAAMHA-UHFFFAOYSA-N 388.328 2.626 0 1 GFAF biogenic O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1ccncc1 95895910 XOPCKECUHROKNF-FSSWDIPSSA-N 379.504 2.831 0 1 GFAF CC(C)[C@@H]1COCc2cn(nn2)CC[C@@H](Cc2ccc(Cl)cc2)C(=O)N1 95663119 WCPLUHWZNWKMIC-YJBOKZPZSA-N 376.888 2.852 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CN(C)Cc2cncnc2)cc1 95794534 VTLBUVRRVOTLRD-CAGDXEIRSA-N 394.519 2.707 0 1 GFAF Nc1cccc(C(=O)NCCCCNC(=O)c2cc(-c3ccccc3)on2)c1 473083477 BTTKTDNSLONONY-UHFFFAOYSA-N 378.432 2.864 0 1 GFAF COc1ccc([C@@](C)(O)c2nc(N3CCN(C)CC3)nc3ccccc23)cc1 299864828 MZKMYOGXNTZOHY-JOCHJYFZSA-N 378.476 2.646 0 1 GFAF COC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1OC 587041780 GDFOLIBOZPQXTO-LBPRGKRZSA-N 377.466 2.978 0 1 GFAF CCC[C@@]1(CC(=O)N[C@@H]2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587511397 PPGBHNIGLWYOEH-VGSWGCGISA-N 385.460 2.891 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)[C@@H](C(=O)O)[C@H](C(=O)O)C1 587491369 UNAPKHOJESFBBA-ZBXJAIIOSA-N 376.405 2.880 0 1 GFAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(=O)(=O)O)cc4[nH]1)(C3)C2 587951509 WXFCTRCJLIUVKQ-NFAYLAGKSA-N 390.461 2.963 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c1 587251075 XVVZTQQXRAEGEA-UHFFFAOYSA-N 388.449 2.541 0 1 GFAF CCOC(=O)C(=O)C[C@@]1(C(F)F)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962618195 DAKNXMZQHMRGIW-WLRWDXFRSA-N 385.407 2.563 0 1 GFAF NC1=COc2ccccc2[C@@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962669688 QBYPEWMWCSTUGU-GOTSBHOMSA-N 387.439 2.770 0 1 GFAF Cc1c(F)ccc2c1[C@@]1(NCC2)C(=O)N(n2c(C)nnc2C)C2=CCCC[C@@H]21 962374514 KZOYESXOANCKEH-HRAATJIYSA-N 381.455 2.546 0 1 GFAF C=c1[nH]n(-c2ccc(Cl)c(C(=O)O)c2)c(=O)/c1=C\c1ccc(C(C)C)cc1 2061495 VYPKNNKZPPPJNQ-YVLHZVERSA-N 382.847 2.880 0 1 GFAF Cc1ccc(-c2ccc(C(=O)N[C@@H](CN)c3nc(C)c(CO)s3)[nH]2)cc1F 1772602169 KUDBKCKBFBFENV-INIZCTEOSA-N 388.468 2.816 0 1 GFAF Cn1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@@](C)(F)CC3(F)F)c2)n1 1772581643 ZADSHEURMUBVAC-JKSUJKDBSA-N 398.364 2.756 0 1 GFAF COc1cc2c[n+]3c(cc2c2c1OCOC2)-c1c(cc2c(c1OC)OCO2)CC3 13310801 ZZTSBHGDPQSPGI-UHFFFAOYSA-N 394.403 2.963 0 1 GFAF CC(C)COC(=O)N1CCOC[C@@H]1c1cc(C(=O)NCc2ccccc2)no1 205210908 RSCFUYRTPQFCLG-QGZVFWFLSA-N 387.436 2.771 0 3 GFAF COc1ccccc1-n1c(O)nc2c(C(=N)NO)nc(-c3cccs3)nc21 1857543974 IEEWGBIVXINZHB-UHFFFAOYSA-N 382.405 2.562 0 1 GFAF CCN(CC)CCNC(=O)c1cc2cnccc2n(CCc2ccccc2)c1=O 1857608346 YMGHLARBLGWUBT-UHFFFAOYSA-N 392.503 2.711 0 1 GFAF NCCCCCCCc1ccc(CCc2ccc(O)c(OC[C@@H](O)CO)c2)o1 2356367723 CPBHSCUXJWMWCM-SFHVURJKSA-N 391.508 2.954 0 1 GFAF O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1cc(O)cc(O)c1)c1ccccc1 101644946 NVMXPYIQUOIQFV-JWWGGVBKSA-N 383.444 2.984 0 1 GFAF CO[C@H]1[C@@]2(C)[C@@H](CC[C@H](OC(=O)/C=C/SC)[C@H]2C)C[C@@]23OC(=O)[C@@H](C)[C@]12O3 104354399 ULNGGZOBSDELFB-CXMZSATMSA-N 396.505 2.904 0 1 GFAF in-man COc1ccc(NC(=O)O[C@H]2CCC[C@H]([C@H](N)C(=O)N3CCCC3)C2)cc1 27895103 DEGPKUSVWAXQCQ-WBAXXEDZSA-N 375.469 2.752 0 1 GFAF CC=C1CN2CCc3c([nH]c4cc(OC)ccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356725252 BCRDPGDQDVFPNE-BJLQDIEVSA-N 384.476 2.823 0 1 GFAF CC/C=C/[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 70454857 XNUWGEPKIOWLHQ-PMNXYVIBSA-N 385.460 2.866 0 1 GFAF biogenic,in-vitro COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82207333 VNNBNBBJBBIHRV-KRWDZBQOSA-N 392.544 2.879 0 1 GFAF Cc1cc(F)cnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl 146870090 GPUALKZROFNKRF-UHFFFAOYSA-N 398.891 2.763 0 1 GFAF CN1c2ccc(C(=O)Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O 95592584 OGZWVPNHAPBIHM-UHFFFAOYSA-N 386.408 2.617 0 1 GFAF NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 143567069 MVRMEOTUXAYJKH-BQYQJAHWSA-N 390.845 2.539 0 1 GFAF CC(C)[C@]1(O)CC[C@@]2(C)C[C@H](O)[C@@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 95919155 QCLJCHLNAUUSNX-QITMKZSESA-N 392.492 2.627 0 1 GFAF biogenic,in-vitro CC(C)c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1 653755710 ZADLDIQAWKIDBG-RYUDHWBXSA-N 377.395 2.823 0 1 GFAF CN(C)CCNc1cc2c(cn1)cc(NC(=O)/C=C/c1ccccc1)c(=O)n2C 653872513 LKOVYMLGZKPEBC-MDZDMXLPSA-N 391.475 2.559 0 1 GFAF CO[C@H](CC/C=C/c1cccc(COC(=O)[C@@H]2CCCNN2)c1)[C@@H](C)C(=O)O 584905202 SDVFXCWSICLLGR-UBHKYMMISA-N 390.480 2.516 0 1 GFAF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCOCC3)cc1)O2 587397920 CMTGSTNXMMWLTB-OAQYLSRUSA-N 382.460 2.995 0 1 GFAF CN1[C@@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339919 QZCHWLZGWQDCSQ-UKNZCJMYSA-N 383.419 2.856 0 1 GFAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587194197 OBCXKLPECAKJKY-CYBMUJFWSA-N 387.484 2.965 0 1 GFAF COC(=O)C[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587763797 MQDNHUAFFJKCMK-BTDLBPIBSA-N 396.260 2.663 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 587228885 SRXWSRFIGJMFIQ-UHFFFAOYSA-N 396.403 2.833 0 1 GFAF COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3C)[C@H]2C1 205209170 LHLQMESWFCOITP-FUHWJXTLSA-N 386.473 2.736 0 3 GFAF O=C1COc2ccc(NC(=O)C3CCN(c4ncccc4Cl)CC3)cc2N1 1857589440 OTYSAGAPEBXNOR-UHFFFAOYSA-N 386.839 2.921 0 1 GFAF COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1OC 1857606468 ARLQEKKQDGRZBI-UHFFFAOYSA-N 382.526 2.589 0 1 GFAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cc(CN)no1 118707949 PQBXWWQFEJMJTC-UHFFFAOYSA-N 386.408 2.740 0 1 GFAF CC(C)NC(=O)N1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1 5396313 WCLLRHIVLCCWIY-QGZVFWFLSA-N 398.488 2.612 0 1 GFAF biogenic COc1ccccc1CC(=O)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 11882140 AMNOWSHJXRIBSI-SFHVURJKSA-N 393.418 2.954 0 1 GFAF CN(C(=O)CCCOc1ccc2c(c1)NC1=NC(=O)CN1C2)C1CCCCC1 26946019 KSHUFMRAANETOX-UHFFFAOYSA-N 384.480 2.760 0 1 GFAF c1ccc2c(c1)CC(Nc1nc(Nc3ccncc3)cc(N3CCNCC3)n1)C2 45284381 SFPXEDGUVBYUGE-UHFFFAOYSA-N 387.491 2.604 0 1 GFAF O=C(c1ccc(F)c(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1 95565841 VOZZHBAHNGPQEW-UHFFFAOYSA-N 393.209 2.837 0 1 GFAF CC(C)C(=O)Oc1cc(C=O)c(O)cc1[C@@]1(COC(=O)c2ccccc2)CO1 103241605 VNSSTZGKCIJVDZ-OAQYLSRUSA-N 384.384 2.849 0 1 GFAF CNc1nc(C)c2cc(-c3cnc4[nH]ccc4c3)c(=O)n(C[C@@H]3CCOC3)c2n1 117709932 FLAKGWVUMLAAEC-ZDUSSCGKSA-N 390.447 2.721 0 1 GFAF C[C@@H]1CCCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1 139594556 HSCDAWNZAILNKB-CQSZACIVSA-N 376.464 2.829 0 1 GFAF CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CN)c2c1C 169708349 OLQSDIWIFRBFGG-VIFPVBQESA-N 389.456 2.968 0 1 GFAF CCn1cc(Br)c(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)n1 586999697 FPVMYIIWGDEJAC-UHFFFAOYSA-N 376.258 2.834 0 1 GFAF C[C@]1(c2nc3nc(Br)c[nH]c-3n2)Cc2ccc(F)cc2C(=O)O1 587173043 RRDHJHQDNKSRPK-OAHLLOKOSA-N 377.173 2.834 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccco3)Cc3nc(=N)[nH]cc31)O2 587389412 KHEZZVQZCXKIFL-LAJNKCICSA-N 376.416 2.963 0 1 GFAF NC(=O)c1c(O)ncc2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587507910 DBOYYBUHHOMQAP-QFIPXVFZSA-N 378.428 2.962 0 1 GFAF COC(=O)/C(=C\N(C)C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756266 QPKALWZLZIGICN-JWMBXNKFSA-N 385.277 2.956 0 1 GFAF CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CN2NC=NC2=N1 587796146 PKKODQKFAHEMKB-XLFHBGCDSA-N 392.276 2.830 0 1 GFAF COc1cc2c(cc1OC)[C@@]1(CS(=O)(=O)Oc3ccccc31)N(C)[C@H](C)C2 962565538 HSJGZUXCZOQFSC-XCLFUZPHSA-N 389.473 2.546 0 1 GFAF O=C(O)[C@@H]1C[C@H]2C=CC[C@@H](C1)[C@@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239168 ZZONSNIDNUNDDG-CLELRTFHSA-N 378.428 2.716 0 1 GFAF CCO[C@@H](C)c1ccc([C@]2(CN)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963527983 RNPTVOVMERNVKS-SDYXESRWSA-N 384.476 2.599 0 1 GFAF CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)C[C@@](N)(CO)CC4)o2)cn1 1772576369 QCWUXRIGEPINJL-OAQYLSRUSA-N 380.448 2.764 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)nc(CO)c12 1772637118 XLEVQKYXRYLSQN-SECBINFHSA-N 375.816 2.995 0 1 GFAF Cc1ccc2nc(C[C@@H]3CN(C(=O)C4CCOCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356302717 RNPJDDSBXVCBGB-DLBZAZTESA-N 399.491 2.780 0 1 GFAF CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCC3 4188079 BVUIAYCHJFMWLL-UHFFFAOYSA-N 395.550 2.554 0 3 GFAF CC(C)c1ccc(CCN(C)S(=O)(=O)c2cc(C(=N)N)ccc2O)cc1 3816130 VDQWRDKJEXBYMS-UHFFFAOYSA-N 375.494 2.663 0 1 GFAF CCOC(=O)CCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 13560482 OSZVDUKYZCECKO-UHFFFAOYSA-N 394.512 2.921 0 1 GFAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc([C@H](C)O)nc12 13979131 KDHJNMHGCNOHTL-LBPRGKRZSA-N 381.415 2.576 0 1 GFAF COc1cc([C@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@@]23O)ccc1O 14506019 JDOYVXXEQQTICM-ZQEFQCJFSA-N 388.416 2.608 0 1 GFAF endogenous,in-man CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C(=O)O)[C@@H](C)CC)ccc12 16042739 LUZBZTTVHIEOPE-HXPMCKFVSA-N 375.421 2.740 0 1 GFAF biogenic CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NCCO)[C@H]3CC[C@@H]12 26390622 RYYSYRHPOPBMEU-ICIQGERTSA-N 376.541 2.575 0 1 GFAF COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 39106800 UIFMGKZUSHZGFQ-CQSZACIVSA-N 375.421 2.521 0 1 GFAF O=C([C@@H]1C=Cc2c(Cl)nc(OCc3ccc(F)cc3)c(=O)n21)N1CCCC1 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587762029 WTJKRVUKTCOWTH-BTDLBPIBSA-N 396.260 2.971 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N2CCOCC2)N1 587764335 DLUVWMYZPVDFSW-DIFFPNOSSA-N 385.277 2.587 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2S(C)(=O)=O)N1 587851305 VNAAWVVZRYRZRJ-ZWZTZDBGSA-N 376.291 2.915 0 1 GFAF O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@@H](Oc2ccccn2)C1 1772657264 MCRVAAHURKFSNP-INIZCTEOSA-N 385.374 2.591 0 1 GFAF CCOCC(C)(C)[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)O)C(=O)C[C@H]1O 2356343688 UJFDLBWYYFZXDS-RNIPGJKVSA-N 382.497 2.734 0 1 GFAF C[C@@H]1[C@@]2(O)C[C@]34CC(=O)O[C@]3(C[C@@H](OC(=O)c3ccccc3)[C@@H]4C)[C@@]1(C)CO2 2356405195 KDOWKKIVVPYLEG-KVVJKSMKSA-N 386.444 2.689 0 1 GFAF O[C@@H]1[C@H](NCc2ccc(-c3ccccc3)cc2)[C@H]2CO[C@@H](O2)[C@H]1N1CCCCC1 2356835584 KTCDNDIUPOEMCT-SJSRKZJXSA-N 394.515 2.782 0 1 GFAF CCN1CCN(CCCNC(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)CC1 20216328 ZODNOJAQEVPKOW-UHFFFAOYSA-N 398.532 2.500 0 3 GFAF COc1ccccc1-c1ccc2c(c1)N(CCN1CCOCC1)C(=O)COC2 205221077 GLEHFNLVHWEECM-UHFFFAOYSA-N 382.460 2.558 0 3 GFAF Cc1c(C(=O)C(N)=O)c2c(O[C@H](C)C(=O)O)cccc2n1Cc1ccccc1 1543775 GWHFRTCCSTUDBC-CYBMUJFWSA-N 380.400 2.518 0 1 GFAF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(OC)cc2)=N1 100983872 CTPOLKCZOFPIBR-DOTOQJQBSA-N 390.395 2.652 0 1 GFAF CC(C)(C)N1C[C@H](COc2ccc3cc(S(N)(=O)=O)sc3c2)OC1=O 26573277 HEHIPOFBOLMAIM-GFCCVEGCSA-N 384.479 2.547 0 1 GFAF COc1ccc(NC(=O)N2CCNC[C@H]2COc2cccnc2)cc1Cl 114574102 RTOXKFXUENENCI-AWEZNQCLSA-N 376.844 2.628 0 1 GFAF COc1ncc(F)c(NCc2ccc(CNc3nc(OC)ncc3F)cc2)n1 72108126 RWXYTMRHMRDEOW-UHFFFAOYSA-N 388.378 2.786 0 1 GFAF C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCCCN1CCCC1 82070592 ZWEVEYYUAPKRJB-HNNXBMFYSA-N 386.521 2.531 0 1 GFAF NC(=O)COc1cc(-c2cn[nH]c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144870411 XXJXCHWEINAHMY-GOSISDBHSA-N 389.333 2.719 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)[C@H]2CN(C)C(=O)c2ccccn2)cc1 95895768 WPXBDGFNEBLHLG-BTVLFMTNSA-N 393.487 2.562 0 1 GFAF CC(C)(C)NC(=O)NCCN1CC(NC(=O)c2cc(Cl)cc(Cl)c2)C1 95592206 MVTQDUOTCXKWRH-UHFFFAOYSA-N 387.311 2.505 0 1 GFAF COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)C(C)=O)cc1 95871926 LGGSSJDTDOKXLU-QZNHQXDQSA-N 396.487 2.516 0 1 GFAF Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1cccc(F)c1 299838571 VIEIICNFNFXRAL-UHFFFAOYSA-N 378.363 2.503 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C(=O)N(CCCC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587434744 AJMGJAMKZZIEGP-NYHFZMIOSA-N 393.395 2.550 0 1 GFAF CO[C@@H](C)COC1CCC(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC1 587951582 HKQUEJYTHUWXOK-NFOMZHRRSA-N 395.525 2.891 0 1 GFAF CCN(c1ccc(-c2csc(-c3cnc(C)[nH]c3=N)n2)cc1)S(C)(=O)=O 587923463 QKFSXFXPXKTQCD-UHFFFAOYSA-N 389.506 2.774 0 1 GFAF CCCN1C(=O)[C@](O)(C[C@@]2(C)NCCc3c(C(=O)O)cccc32)c2ccccc21 963129007 DHVMYDBDCZNZHW-PKTZIBPZSA-N 394.471 2.780 0 1 GFAF COC(=O)[C@H]1CC2(C[C@@H]1C(=O)OC)c1cccc(Br)c1CCN2C 963272287 ZAVAJOBSRUPTCR-STQMWFEESA-N 396.281 2.505 0 1 GFAF O=C1N[C@@H]2[C@H](CCCCCc3cn(Cc4ccc(F)cc4)nn3)SC[C@@H]2N1 1772584006 AEEREEHRESREME-BZSNNMDCSA-N 389.500 2.734 0 1 GFAF Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1 13580799 XMLLCLHYZOZSEG-UHFFFAOYSA-N 378.396 2.540 0 1 GFAF NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832050 GHVNTFNFZKZDAD-UHFFFAOYSA-N 393.487 2.608 0 1 GFAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4045162 UUERVZOSVGQPSA-KKTRPPJXSA-N 399.491 2.961 0 1 GFAF CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1[C@@H](C)O 2356403521 MJYRTXCQTAXNAH-HRXIZKLBSA-N 394.552 2.899 0 1 GFAF O=C(Nc1cccnn1)N1CCN(c2nccc(-c3cccc(F)c3F)n2)CC1 103267363 YFBOJOVDKALMLB-UHFFFAOYSA-N 397.389 2.566 0 1 GFAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cnc(SC)n1Cc1ccccc1 103170718 QAEJXOVFVCPDLB-MRXNPFEDSA-N 386.477 2.844 0 1 GFAF Oc1cccc(-c2cc(N3CCOCC3)nc(NCCc3ccncc3)n2)c1 66258427 FTRZEOVAXFVNCW-UHFFFAOYSA-N 377.448 2.735 0 1 GFAF OCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl 28644800 HNUQINNHTDMHGS-UHFFFAOYSA-N 380.839 2.994 0 1 GFAF CC(C)(C)c1ccc([S@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1 73163161 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COc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1C 586932183 VVPQOKSCCYAXPU-UHFFFAOYSA-N 375.450 2.709 0 1 GFAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1 586921186 FMKUTUCXESEXSQ-UHFFFAOYSA-N 388.445 2.743 0 1 GFAF O=C(O)CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518254 DKCUSTQYCSJKGR-QFIPXVFZSA-N 377.396 2.857 0 1 GFAF O=S(=O)(Cc1nc2ccnc(O)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951487 WNYOLEOEGKTINQ-UHFFFAOYSA-N 387.465 2.596 0 1 GFAF O=C(O)c1cc(Br)cc2nc(CS(=O)(=O)C3CCCC3)[nH]c12 586924088 GTFCQTZYXFYEON-UHFFFAOYSA-N 387.255 2.881 0 1 GFAF Cc1cc2c(cc1O)[C@@](c1ccccc1C(=O)O)(C(F)(F)F)N[C@H](C(=O)O)C2 963547507 BQFHMTPMRNLBOA-KSSFIOAISA-N 395.333 2.804 0 1 GFAF CCOC(=O)[C@H](C(F)(F)F)[C@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963231805 ZEYHHXZFVRXEKV-RVKKMQEKSA-N 396.365 2.791 0 1 GFAF Cc1c(F)ccc2c1[C@](C)(c1cccc(NS(=O)(=O)N(C)C)c1)NCC2 962376701 QGXUEACVZFLPKE-IBGZPJMESA-N 377.485 2.762 0 1 GFAF COc1cc(CCCN2C(N)=NC[C@H]2Cc2ccc(O)cc2)cc(OC)c1OC 13662128 NXVGDDIEYWMFPK-QGZVFWFLSA-N 399.491 2.592 0 3 GFAF Cc1ccc(Cn2nnnc2CN2CCC(n3nnc4ccccc43)CC2)cc1 4383591 WRYKRCYBGZYEDV-UHFFFAOYSA-N 388.479 2.612 0 3 GFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccccc2)cc1 4593140 QZILCGXCVLXCKE-FTUNRGFVSA-N 397.452 2.990 0 1 GFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 102627179 ZZTMQFYXUCRZOR-QZCPTFHJSA-N 395.436 2.766 0 1 GFAF Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)cc1 20723747 NMMNIQMUPHUXEV-NRFANRHFSA-N 397.500 2.628 0 3 GFAF COc1ccc(S(=O)(=O)Oc2cccnc2NC(=O)c2ccncc2)cc1 29408424 YTLGUTAGHTVNPM-UHFFFAOYSA-N 385.401 2.505 0 1 GFAF Nc1nc(N)c2c(COc3ccccc3I)cccc2n1 28971645 NXQQBHSMBWBPHE-UHFFFAOYSA-N 392.200 2.978 0 1 GFAF Cc1ccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)n2)cc1 73197649 DTUYTHZJRGIGKJ-DLBZAZTESA-N 388.387 2.538 0 1 GFAF COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 39011656 UIFMGKZUSHZGFQ-AWEZNQCLSA-N 375.421 2.521 0 1 GFAF CCOC(=O)[C@@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(C)C 40847122 IBDADVDROSFHGZ-APWZRJJASA-N 382.460 2.910 0 1 GFAF CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN 82082422 FGHKEJQAYJONIM-SFHVURJKSA-N 381.432 2.751 0 1 GFAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 95577838 JDRDOXLSLNVJBH-IBGZPJMESA-N 378.476 2.928 0 1 GFAF O=C(NC1(C(=O)NCCc2c[nH]cn2)C2CC3CC(C2)CC1C3)c1ccccc1 96916889 PBRXKVBKCCBSMF-UHFFFAOYSA-N 392.503 2.693 0 1 GFAF O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 95893723 MOBRGTMAJNQPCB-HKBOAZHASA-N 391.471 2.588 0 1 GFAF C=CN1CC[C@@H]([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587437549 JMEUHMIGTVXREW-YVHKJVDXSA-N 376.412 2.725 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1[C@@H](C(=O)O)NC[C@@H]1CC3 586989643 NSCCMLXANLZYCS-IEDBWFTHSA-N 386.407 2.854 0 1 GFAF CC1(C)C[C@@]2(CS(=O)(=O)C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587614610 SRJJPNSYVADGKJ-JXFKEZNVSA-N 388.441 2.937 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cnc(Cl)[nH]c-4n3)CC2)cc1 586954785 IQKXJBWBISODNS-UHFFFAOYSA-N 391.884 2.835 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]1CN[C@@H](C(=O)O)[C@@H]1C2 587595865 PDTCWXVGAAWUKM-VGVSVYICSA-N 395.411 2.565 0 1 GFAF O=C1CSC[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)N1 587042132 AHXXMDAMYGTXQL-SSDOTTSWSA-N 391.088 2.992 0 1 GFAF CCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(Cl)cc2s1 1772625008 MAIIKKVCEZGBID-LBPRGKRZSA-N 378.841 2.508 0 1 GFAF C[C@@]1(O)OC(=O)C(Sc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 13488622 BJXHPQCXFDPUCE-GOSISDBHSA-N 376.455 2.859 0 1 GFAF N=C(N)c1ccc(CNC(=O)[C@H]2CCCC=C2C(=O)Nc2ccccc2)cc1 13493963 NPQLVCVHYOYLMS-SFHVURJKSA-N 376.460 2.952 0 1 GFAF Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@@H](O)C1 205246800 QQLMYTBQUSPVAD-OAHLLOKOSA-N 389.463 2.690 0 1 GFAF NC(=O)c1cnc(N[C@H]2CC[C@H](N)CC2)n2cc(-c3ccc(Cl)cc3)nc12 101677362 LJIBANXVQNPFQL-OKILXGFUSA-N 384.871 2.830 0 1 GFAF Cc1cc(C(=O)NCCF)c2ncn(Cc3ncnc(OC(F)F)c3C)c2c1 1857535448 JXFVITGQOKHEEZ-UHFFFAOYSA-N 393.369 2.792 0 1 GFAF COc1cccc(-n2cc(COc3ccc4c(c3)OC[C@@H]4CC(=O)O)nn2)c1 1857571696 JDALLUZSXINKTO-ZDUSSCGKSA-N 381.388 2.806 0 1 GFAF COc1ccc(-c2cc(CNS(=O)(=O)c3ccc(F)cc3)on2)cc1OC 1857764371 DXRNGNBOCDYKTR-UHFFFAOYSA-N 392.408 2.976 0 1 GFAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1nc2ccccc2s1 35943025 DVKKXASLCFLQLQ-CQSZACIVSA-N 393.468 2.852 0 1 GFAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NCc2cccc(Cl)c2)C[C@H]1O 2356288648 ILMHFLKWCMXTMV-LWYYNNOASA-N 387.911 2.698 0 1 GFAF CCCCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(=N)N)c2)cc1 28101521 HZUIVZJGOQFWRV-UHFFFAOYSA-N 389.481 2.693 0 1 GFAF O=C(Nc1cccnn1)N1CCN(c2ccnc(-c3ccc(F)cc3F)n2)CC1 103267350 QFUCAWHTBMOGCZ-UHFFFAOYSA-N 397.389 2.566 0 1 GFAF COc1ccc(S(=O)(=O)Nc2onc(C)c2Br)cc1OC 26476705 FDPWJZSWHSXSLF-UHFFFAOYSA-N 377.216 2.564 0 1 GFAF O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCN(Cc2cccc(F)c2)CC1 23250587 LTQZZGIUEQBKEK-SFHVURJKSA-N 387.499 2.651 0 3 GFAF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CC[C@H](O)C3)c(F)cc2c1=O 29340139 WLZNGGFZZWSGJT-ZDUSSCGKSA-N 386.354 2.538 0 1 GFAF O=C(O)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1 29311654 RLUJVZGIAFBZHA-FQEVSTJZSA-N 390.439 2.772 0 1 GFAF O=C(C=CCCCC[C@@H](O)[C@H](O)c1ccc2c(c1)OCO2)N1CCCCC1 2356756337 UEJKTNXAIXCFSD-DYESRHJHSA-N 375.465 2.939 0 1 GFAF OC[C@@H]1[C@H](O)C[C@H](NCc2ccccc2Cl)[C@@H]1Cc1ccnc(C2CC2)n1 2356761383 DLDNZRQBZHTLKQ-LCLWPZTBSA-N 387.911 2.698 0 1 GFAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@@H]2[C@H]1C 2356816089 CXNZNHHLTITSAJ-ITXFDXOWSA-N 381.561 2.658 0 1 GFAF CN(C)c1ncc(CN2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)s1 39412602 WAKFQWHPDGLXRT-GOSISDBHSA-N 386.521 2.885 0 1 GFAF O=C(N[C@@H](C(=O)O)c1ccc(O)c(I)c1)c1ccccc1 40584763 ZCOKDAVPWYFQAD-CYBMUJFWSA-N 397.168 2.553 0 1 GFAF C[C@H]1NCCn2cc(-c3cc4c(cc3F)C(=O)[C@H](C(=O)O)CN4C3CC3)cc21 45318630 XTCQDIDBKFSLFT-BDJLRTHQSA-N 383.423 2.824 0 1 GFAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)n2ccc(=O)[nH]2)cn1 141765517 WLKVDLNUFITBBM-UHFFFAOYSA-N 376.372 2.802 0 1 GFAF COCCc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 95565374 ASSNYYJIRKDLHH-UHFFFAOYSA-N 388.777 2.795 0 1 GFAF CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(C)=O 95666940 NDGIBXUBSDKIPM-UNMCSNQZSA-N 396.462 2.790 0 1 GFAF COCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95873671 BMAVFVJRZCOPFO-GPXNEJASSA-N 394.515 2.751 0 1 GFAF Cc1cc(N)nc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1 95921098 WKAYHKZPKWNKSL-XLIONFOSSA-N 383.540 2.818 0 1 GFAF in-vitro COc1cc2c3c(c1)O[C@@](C)(CC(=O)NCc1ccccc1OC)[C@@H](C2)C3=O 587433037 OYSTYGXSXWVGIM-AOMKIAJQSA-N 381.428 2.916 0 1 GFAF CC[C@H](c1nc2ccnc(O)c2[nH]1)n1cc(I)c(C)n1 587185436 UEFDHMLVXNRUSX-SNVBAGLBSA-N 383.193 2.772 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(=O)n(C(C)C)c(O)n1 587869987 RVPRCQOAUZANSW-UHFFFAOYSA-N 395.341 2.805 0 1 GFAF CC(C)(C)OC(=O)N1CCC(N2CC(=O)Nc3cc(C(=O)O)ccc32)CC1 957695222 ALUFNWDJVWJHRW-UHFFFAOYSA-N 375.425 2.543 0 1 GFAF COc1ccc(-n2cc([C@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cn2)cc1 963521356 BMDNLLYIHNXGLJ-AZUAARDMSA-N 379.416 2.583 0 1 GFAF CC(=O)c1cc(C(C)=O)cc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963473755 TUNRNZPAQBVQSS-SIKLNZKXSA-N 381.428 2.968 0 1 GFAF Cn1nc(C(F)(F)F)cc1-c1ncnc2c1cnn2CCN1CCCCC1 207168632 LLFYPLDZGVPDPT-UHFFFAOYSA-N 379.390 2.732 0 1 GFAF O=C(CCN1CCCCC1=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 12299028 XVXAUCXSXZFAFE-GOSISDBHSA-N 377.916 2.823 0 3 GFAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H](C)O)n1 207196999 KJNPQKXNYILKNS-KCPJHIHWSA-N 389.463 2.885 0 1 GFAF CCOC(=O)c1cc(OS(=O)(=O)c2ccc(C)cc2)cc(C(=O)OCC)n1 238808852 DGAVOIFUCOZJEA-UHFFFAOYSA-N 393.417 2.511 0 1 GFAF COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 772851 XLHIEPGBHOTVPK-PZJWPPBQSA-N 396.443 2.654 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCC[C@@H]1C 4148862 WBFXFVHIMIAONG-MELADBBJSA-N 390.596 2.843 0 1 GFAF C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC(C)(C)O2 5070119 JFZUFAXWLMYIJR-IEZWGBDMSA-N 389.540 2.737 0 1 GFAF O=C(NC1CCCCC1)O[C@@H]1CO[C@H]2[C@@H](n3cc(-c4ccccc4)nn3)CO[C@H]21 25414922 CZHVUCNNXCMODU-YRPNKDGESA-N 398.463 2.711 0 1 GFAF biogenic COC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)C(C)C)c2)cc1 27419219 QLIMKHYFGQDMNM-UHFFFAOYSA-N 376.434 2.876 0 1 GFAF CCOC(=O)c1cn(CCc2ccccc2)c2c(ccc3c2nnn3C)c1=O 28704635 OTLHSVATKLEOBP-UHFFFAOYSA-N 376.416 2.703 0 1 GFAF COc1ccc(Oc2ccc(S(=O)(=O)Cn3cccc(O)c3=O)cc2)cc1 29130076 GWAXDFHSCOMEEA-UHFFFAOYSA-N 387.413 2.786 0 1 GFAF Cc1nccnc1C(=O)N1CCC([C@H](N)Cc2cc(F)c(F)cc2F)CC1 40937085 ZPLAZPCCTLCOKT-QGZVFWFLSA-N 378.398 2.625 0 1 GFAF O=C1c2c(O)cc(O)c(Cc3ccc(O)cc3)c2O[C@@H](c2ccc(O)cc2)[C@@H]1O 43019858 HELLEJINRNHBKU-RTWAWAEBSA-N 394.379 2.777 0 1 GFAF biogenic COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@H]4CCC[C@@]15c1[cH-]cnc1C[C@]3(C)[C@]245 85548930 LAZXNEXQFGSNGO-LYWCGDPRSA-N 382.480 2.973 0 1 GFAF biogenic,in-vitro CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893674 CEGBGEYQWQMGBL-AABGKKOBSA-N 379.460 2.595 0 1 GFAF CCC[C@@H]1C(=O)c2nc(CN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O 100034613 SYLDQNAOMRMZAV-CQSZACIVSA-N 393.447 2.512 0 1 GFAF CNc1nc(Nc2ccc(C(=O)N3C[C@@H]4C[C@@H]3CO4)cc2OC)ncc1Cl 149549030 IDHZNDGYRNMSEU-NEPJUHHUSA-N 389.843 2.537 0 1 GFAF C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccoc3)nc2n1 168998298 GPQCMJKPKQNLRF-GJZGRUSLSA-N 395.463 2.735 0 1 GFAF CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc3ccccc23)nc1O 299816788 RJLQCWSEJOCRPJ-UHFFFAOYSA-N 386.455 2.719 0 1 GFAF CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(C)C 586932346 CRVJZHMYBPXYJX-KRWDZBQOSA-N 378.498 2.864 0 1 GFAF COC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3cscn3)nc2c1 587027881 IOFXTCQUJFKJIJ-SNVBAGLBSA-N 381.255 2.811 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(I)ncn1C)O2 587386657 LCJIHBQGUNFDNV-LLVKDONJSA-N 383.189 2.622 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]1[C@H]2CN[C@H]1C(=O)O 587592853 HRNZZDIPHXKEQG-RGQPKFLQSA-N 395.411 2.565 0 1 GFAF C[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc(Br)cn1 587651286 PRXQGWDVMZMMQA-QMMMGPOBSA-N 381.617 2.910 0 1 GFAF C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc(=O)c2cnc(-c3cccnc3)n2[nH]1 1772635411 QLHVOVBIRWGIOW-CRAIPNDOSA-N 386.459 2.715 0 1 GFAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccc3c(c2)OCO3)CC1 2356286400 QVLFUYHVWOSPCW-SXLOBPIMSA-N 399.535 2.587 0 1 GFAF C[C@]1(O)CCN(C(=O)C2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 2356289197 RCMSFDIDABRCBE-ZWOKBUDYSA-N 376.522 2.858 0 1 GFAF CC(C)(O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@@H]5CC[C@H](O)C[C@@H]5[C@H](O)C[C@@H]4[C@@H]3C[C@H](O)[C@H]21 2356611050 HQSCGCHTEXSADB-BPEAOORESA-N 392.580 2.965 0 1 GFAF COc1cccc(SCc2noc(C(=O)NC[C@@H]3CCCO3)c2C(=O)O)c1 8691349 YGCQXDTYJWYMEK-LBPRGKRZSA-N 392.433 2.583 0 3 GFAF O=C1CSc2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCCCC4)C3)cc2N1 50659208 BMKKSTGRTGDSSS-OAHLLOKOSA-N 387.505 2.596 0 3 GFAF CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc3ccccc3c2)C1 61903189 HLFKKGNADDZYIS-FQEVSTJZSA-N 388.489 2.548 0 3 GFAF COc1ccc(NC(=O)O[C@@H]2CCC[C@H]([C@H](N)C(=O)N3CCSC3)C2)cc1 27991789 ZOJNVHBDZGHINU-XKQJLSEDSA-N 393.509 2.663 0 1 GFAF CCCCCC(=O)O[C@@H]1C=C2[C@H](OC)OC[C@]2(O)[C@]2(C)[C@@H](O)CCC(C)(C)[C@H]12 2356870289 XPKRYPSOFXPZSA-HZUBAUJFSA-N 396.524 2.956 0 1 GFAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ccccc12 28826946 XZADTAXOFGSUFI-OAHLLOKOSA-N 383.473 2.703 0 1 GFAF CC(=O)NCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82141275 XHBGRWKQIXZXJY-UHFFFAOYSA-N 385.443 2.503 0 1 GFAF O=C(/C=C/c1cccn(CCCc2ccccc2OC(F)(F)F)c1=O)NO 143954946 ORJLGSPCSTZJQF-MDZDMXLPSA-N 382.338 2.898 0 1 GFAF NC1=N[C@]2(CO1)c1cc(-c3ccc(F)nc3)ccc1OC1(CCC1)C21COC1 149408200 FJDLAEVSDZQHMJ-OAQYLSRUSA-N 381.407 2.760 0 1 GFAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 257387726 BMPRGPGLZWJNOP-NGAVILEUSA-N 378.465 2.897 0 1 GFAF endogenous,in-man CCOc1cc2nc(=S)n(CCCN3CCOCC3)c(O)c2cc1OCC 253621264 UHOYKEQPDSEZMH-UHFFFAOYSA-N 393.509 2.991 0 3 GFAF O=C(Nc1ccc(F)cn1)c1ccc(S(=O)(=O)Cc2ccccc2O)nc1 261073953 AONVBBAATUPASM-UHFFFAOYSA-N 387.392 2.548 0 1 GFAF C[C@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C=C(c2ccccc2F)NO1 587156635 ONTWYWHZRRXCGJ-QGZVFWFLSA-N 375.381 2.740 0 1 GFAF O=C1CC2(CCN(CCN3CCOCC3)CC2)Oc2c1ccc1c2CCCC1 587519328 ZBGWRZMCRWJZRV-UHFFFAOYSA-N 384.520 2.697 0 1 GFAF NS(=O)(=O)c1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587662350 YPDYCACJCHVFII-UHFFFAOYSA-N 395.415 2.839 0 1 GFAF N[C@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Br)cc1 586996507 GQIUOGKIEJWDID-MRVPVSSYSA-N 382.312 2.935 0 1 GFAF COc1cccc([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587808037 NBQHRYBITZPVBA-MLCYQJTMSA-N 396.256 2.685 0 1 GFAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587194394 RCMXWYQUMNRZLC-VIFPVBQESA-N 388.394 2.841 0 1 GFAF O=C(O)CN1CC[C@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963830501 BEMFQAHEYKWVSP-HSZRJFAPSA-N 391.471 2.878 0 1 GFAF COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)c(OC)c1 1772644408 QHFKTIBKJWTAMU-UHFFFAOYSA-N 390.403 2.651 0 1 GFAF CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1 203474604 YSKONOFYNHKMTH-HNNXBMFYSA-N 389.521 2.745 0 3 GFAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@@](C)(O)c2ccc(Cl)cc2)CC1 207097650 FSRMRNHKSUCZDY-SFHVURJKSA-N 397.928 2.988 0 1 GFAF COC(=O)c1cc2nc(SCC(=O)N=c3cc[nH]cc3)[nH]c2cc1Cl 1857573111 GSTXMMIJIYCOEQ-UHFFFAOYSA-N 376.825 2.551 0 1 GFAF Cn1ccc2cc(CC(=O)N=c3ccn(Cc4ccc(F)c(F)c4)[nH]3)cnc21 1857646400 QAUUDKFMRPRUCS-UHFFFAOYSA-N 381.386 2.699 0 1 GFAF COc1cc2c(cc1OC)[C@H](CN1CCN(c3ccccn3)CC1)OCCC2 27723401 VOPZDENHDLGVRB-NRFANRHFSA-N 383.492 2.925 0 1 GFAF Cc1ccc(C(=O)NC2[C@@H](C)CCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 29045389 DLOPBVUKEBCWFJ-MCPYQZEQSA-N 394.537 2.570 0 1 GFAF COc1ccccc1N1CCN(Cc2c(C)[nH]c3nc(N(C)C)ncc23)CC1 35305842 ADAZZWTYEBRRHE-UHFFFAOYSA-N 380.496 2.663 0 1 GFAF COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)NC(=N)N(C)C2=O)cc1C 38215393 NJDRPIPNXBADEH-JOCHJYFZSA-N 387.443 2.701 0 1 GFAF Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CN)c12 118820412 SPAPSHUCUFGUGG-QMMMGPOBSA-N 375.429 2.707 0 1 GFAF NCc1ccc(C[C@H](C[P@](=O)(O)[C@H](N)CCc2ccccc2)C(=O)O)cc1 299841110 XZFPYKBNMOQQLL-MOPGFXCFSA-N 390.420 2.577 0 1 GFAF Cn1nnc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1C(F)F 587129708 ZTUJHVGCUQXQLX-UHFFFAOYSA-N 381.286 2.590 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCN1CCOCC1)[C@@H](C2)C3=O 587440502 AOAWWJBKCFHLPL-MBSDFSHPSA-N 395.455 2.895 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2nnc(C)n2n1 587869864 POKYJMWBMFFRRR-UHFFFAOYSA-N 375.314 2.708 0 1 GFAF CCOc1ccccc1[C@@]1(CCC(=O)O)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963490618 LFNFQIBLGIGZCK-KSFYIVLOSA-N 399.443 2.807 0 1 GFAF COCCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc([C@H](C)O)c12 1772641016 OOQDVUXMJLCZMQ-OLZOCXBDSA-N 399.451 2.919 0 1 GFAF OCCN1CC2(CCN(c3nc(O)c4c(n3)CCCC4)CC2)c2c(F)cccc21 1857582964 JMJMHZKQKKROFG-UHFFFAOYSA-N 398.482 2.551 0 1 GFAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=S)NCc2ccco2)CC1 2356285946 BAVBZWWNFSAJQP-OTWHNJEPSA-N 390.597 2.686 0 1 GFAF CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 2928896 WBAVCJQQCFWSHL-HNNXBMFYSA-N 375.494 2.550 0 3 GFAF aggregator Cc1ncc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)s1 36384017 FUDVPPWZWWJGII-UHFFFAOYSA-N 376.570 2.750 0 3 GFAF CC1CCN(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)CC1 3060412 RDTRYGRJNBPDFY-UHFFFAOYSA-N 397.585 2.682 0 3 GFAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc(CN3CCOCC3)c1)C2 28334779 AJHYPSJVJVSKDS-NRFANRHFSA-N 383.444 2.722 0 1 GFAF COc1cc(O)cc([C@@H]2OC[C@H](C(=O)c3ccc(OC)c(OC)c3)[C@@H]2CO)c1 2356582508 KTIPQHCMSXAIBC-FIKGOQFSSA-N 388.416 2.597 0 1 GFAF CC[C@H](O)[C@]1(C)O[C@]2(O[C@](C)([C@@H]3OC(=O)C(C)=C[C@@H]3C)C[C@@H]2C)[C@H](C)[C@H]1O 2356629777 PUWSWDPZBXOVMY-SCAHUWHMSA-N 382.497 2.562 0 1 GFAF CC(C)(C)NC[C@H](O)COc1ccc(NC(=O)c2cccs2)cc1C(=O)O 25979209 VQVAFIKWVGMRSF-ZDUSSCGKSA-N 392.477 2.826 0 1 GFAF COc1cc(C[C@H](C(=O)O)[C@H](CO)Cc2ccc(OC)c(OC)c2)ccc1O 13372346 WFRZWIDPAWVEAS-HOTGVXAUSA-N 390.432 2.513 0 1 GFAF biogenic CCCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)C[C@H](C(C)C)N2 82206399 UUNGFAVBODZCEZ-QGZVFWFLSA-N 386.496 2.881 0 1 GFAF COc1c2c(nn1C)C(=O)N(c1cc(C)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 220221549 ZLFZRGHIIRSEBW-KRWDZBQOSA-N 398.850 2.839 0 1 GFAF CC(=O)NCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccco1 82142810 WQEJQPSWGZPARB-UHFFFAOYSA-N 385.468 2.595 0 1 GFAF CS(=O)(=O)N[C@H]1CC[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CC1 621478146 DBTGVDYUSLXBLK-MJHDQNEOSA-N 379.309 2.718 0 1 GFAF COC(=O)c1cc2[nH]c(CCNC(=O)OCc3ccccc3)nc2cc1OC 587228007 FSEHWURNDIHJPK-UHFFFAOYSA-N 383.404 2.827 0 1 GFAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C)cc(C)c3[nH]2)[C@H](C)O)cc1 586937813 UODURYOLKFEZNT-SCLBCKFNSA-N 389.477 2.589 0 1 GFAF Cc1cc(C)c2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2c1 587180713 XQLZRXQHPCHDCI-UHFFFAOYSA-N 396.188 2.883 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CN1C(=O)CCC1=O)(c1ccccc1F)O2 587387120 ZQHLRLSXGWXLOO-NRFANRHFSA-N 382.391 2.726 0 1 GFAF O=c1n2c(c(O)n1S(=O)(=O)c1ccc3ccccc3c1)Cc1ccccc1-2 169692733 LMHFZALSFUQNSU-UHFFFAOYSA-N 378.409 2.639 0 1 GFAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCC(C)(C)CO 767532 SOKKEVOALUUCJV-QUCCMNQESA-N 382.460 2.922 0 1 GFAF COc1c2ccoc2c(O[C@@H](CC(C)(C)O)OC(C)=O)c2oc(=O)ccc12 2356408352 CXCHZEHQDGPYIT-AWEZNQCLSA-N 376.361 2.977 0 1 GFAF CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)[C@H](C)N(O)C=O 3820358 AHCJFAZGYUITPV-BFHYXJOUSA-N 398.529 2.511 0 1 GFAF CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCO)c1 4152609 PBZZQNGKXAOCSU-PZJWPPBQSA-N 398.459 2.684 0 1 GFAF C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)Nc3nc[nH]n3)c1)c1ccccc1O2 6498254 FYOMRAZYCXZZDD-YWZLYKJASA-N 390.403 2.827 0 1 GFAF CCC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 101621109 JPAYKFOGOBDDJL-RQXXJAGISA-N 396.443 2.750 0 1 GFAF Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)cc1 110754561 NUVQKNOUYVWKKD-MOPGFXCFSA-N 382.435 2.647 0 1 GFAF CC(=O)O[C@H]1[C@H]2[C@H]3[C@@H]4O[C@@H]2C[C@@](C)(O)CCC(=O)[C@@]4(C)OC[C@@H](C)[C@H]3C[C@H]1C 2356794502 HYSZLZFAPSHDAS-QCWZVQEQSA-N 394.508 2.503 0 1 GFAF C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCCCN(C)C 82070770 FTBYCWCRBFMTSO-CQSZACIVSA-N 375.494 2.813 0 1 GFAF COC[C@H](C1CC1)n1nc(C)nc(Nc2ccc(OC)nc2C(F)(F)F)c1=O 49036435 YFXUIKYIQHGCCE-GFCCVEGCSA-N 399.373 2.710 0 1 GFAF CC/C=C/[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@H]12 299811468 XNUWGEPKIOWLHQ-DFHRABCMSA-N 385.460 2.866 0 1 GFAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587129347 IHBDKQGRIVYUDP-UHFFFAOYSA-N 382.392 2.519 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(C=C(CN4CCCCCC4)OCC1=O)[C@@H](C2)C3=O 587441124 DJLLWKFEFAPWGL-JTSKRJEESA-N 383.444 2.541 0 1 GFAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(N)=O)cc3[nH]2)cc1 587041259 FBSLUPKXZRKRNR-KRWDZBQOSA-N 396.472 2.948 0 1 GFAF O=C(NCCc1nc2nc(Br)c[nH]c-2n1)OCc1ccccc1 587228199 IRBHDCRVEHZZFY-UHFFFAOYSA-N 376.214 2.536 0 1 GFAF COc1c(C)cnc(C[S@](=O)c2nc3ccccc3n2COC(C)=O)c1C 13820752 SKKQQEZFYKPUOQ-HHHXNRCGSA-N 387.461 2.885 0 1 GFAF Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCCN)c2c1 205292885 MAEZLZJVRSSWHN-UHFFFAOYSA-N 396.516 2.708 0 1 GFAF CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c1 4206712 KRKYMDCCPLGTQZ-MJGOQNOKSA-N 388.851 2.939 0 1 GFAF O=C(NC1CCCCC1)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1 4956115 QVOOKAKOSGZTDP-UHFFFAOYSA-N 387.524 2.550 0 1 GFAF N=C(N)c1ccc2c(cnn2CC(=O)N2CCC(Cc3ccccc3)CC2)c1 28008815 ZFLSSJUZZZKOHV-UHFFFAOYSA-N 375.476 2.802 0 1 GFAF OCCOc1ncc(/C=C/c2ccc(O)cc2)cc1I 28643533 PAVMZGIZGZHTCN-OWOJBTEDSA-N 383.185 2.933 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)C[C@]23CC[C@@H]2C[C@](C)([C@H](O)CO)C[C@H](O)[C@@]2(C)[C@H]13 2356638988 ZSNIMPKKVQQYAC-TYNBVBSXSA-N 380.525 2.655 0 1 GFAF Cc1noc2ncn(CC(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c(=O)c12 21531563 XVFQYVYRIOWZAN-UHFFFAOYSA-N 395.463 2.564 0 1 GFAF COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O 3650929 XMLWGUKRPGLJGA-LSDHHAIUSA-N 388.416 2.698 0 1 GFAF biogenic COc1cc(OC)cc([C@]2(C)C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 42922597 JQQNCCUXTOPZMV-NRFANRHFSA-N 381.384 2.975 0 1 GFAF NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2OC[C@H]2CCCNC2)cc1 40410421 YYCVMZMWSRQJQI-HNNXBMFYSA-N 397.500 2.928 0 1 GFAF CCCc1nc2c(NCCc3ccccc3F)ncnc2n1CCNC(C)=O 82180985 DSHXYXJDFVUICU-UHFFFAOYSA-N 384.459 2.709 0 1 GFAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1c(-c3cccs3)ccc(=O)n1C2 25434769 YSXOLAPMLLWJDQ-KGLIPLIRSA-N 378.519 2.736 0 1 GFAF biogenic COc1ccn2c(c1)nc1c2c(=O)n(CC2CC2)c(=O)n1Cc1ccc(C)cc1 95575849 IALMQIWGAXGPMA-UHFFFAOYSA-N 390.443 2.586 0 1 GFAF Clc1ccc2c(NCc3cn(CCCN4CCOCC4)nn3)ccnc2c1 473084717 UDUAVTZNQGNGQP-UHFFFAOYSA-N 386.887 2.814 0 1 GFAF CCOC(=O)C1CCN(C(C)(C)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 587435279 FFLVCGYRALVPFP-OXQOHEQNSA-N 387.476 2.865 0 1 GFAF CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)F)ncc2[nH]1 587566872 ZNSCKLCGZKYAKL-UHFFFAOYSA-N 389.374 2.896 0 1 GFAF CN1CCN(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587599038 YNRFGTXBAJAFMF-KNQAVFIVSA-N 396.487 2.996 0 1 GFAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1CCC(=O)c1ccc(Cl)cc1 587368453 KFYMTILVBNCSMZ-UHFFFAOYSA-N 387.779 2.532 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)SCC(=O)O)[nH]c2c1 586960400 VPEOBWLUJBLDGG-UHFFFAOYSA-N 385.511 2.646 0 1 GFAF CN=c1nc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]s1 587619145 QVLQUDGRRFGHIW-KXBFYZLASA-N 383.429 2.670 0 1 GFAF CC1=C(c2ccc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)NNC(=O)C1 587154841 SMLFPWSZTMJXCJ-QKKBWIMNSA-N 377.423 2.799 0 1 GFAF O=CNC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567857 AHVNDHXBIDEXBH-DENIHFKCSA-N 375.380 2.995 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2ccn(Cc3ccc(C(=O)O)cc3)n2)cc1 957912707 DAOZHRNUZJQKOH-UHFFFAOYSA-N 385.445 2.547 0 1 GFAF O=C(Nc1cccc(Cl)c1)[C@@H]1C(=O)c2cc(Cl)ccc2OS1(=O)=O 957936826 DEWYBPORPAXPCJ-AWEZNQCLSA-N 386.212 2.906 0 1 GFAF COc1ccc2c(c1OC)[C@@H](c1ccc(C(N)=O)s1)NCC21CCOCC1 963189360 OUONYAGLHVMBEY-QGZVFWFLSA-N 388.489 2.605 0 1 GFAF CC/C=C/[C@@]12[C@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 1772654176 XNUWGEPKIOWLHQ-AGEMCTSUSA-N 385.460 2.866 0 1 GFAF COc1cccc(C(=O)NC[C@H]2Cc3cccc(-c4ncccn4)c3O2)c1OC 11788985 QNIBYGLPHWYWNF-OAHLLOKOSA-N 391.427 2.894 0 1 GFAF CCOc1cc(O[C@H]2CCOC2)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953313 ZKEPSHHZWYCVRH-LPHOPBHVSA-N 399.447 2.775 0 1 GFAF COc1cc2c(cc1OC)CN(c1ncnn3c(C)nc([C@H]4CCCO4)c13)CC2 169711710 DDOYQBCXQYGEBZ-MRXNPFEDSA-N 395.463 2.864 0 1 GFAF 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COc1cc(Cn2cnc3sc(-c4cc[nH]c(=N)c4)cc3c2=O)cc(OC)c1 1911586496 BSGMJKJCSAXOMH-UHFFFAOYSA-N 394.456 2.998 0 1 GFAF O=C(NCc1ccco1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 6936142 CAFFYMAXMWBIHN-HNNXBMFYSA-N 394.479 2.679 0 3 GFAF CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2cscn2)C1 13636846 OLAOYNPDGAUIBQ-MRXNPFEDSA-N 386.521 2.872 0 3 GFAF COc1cccc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)c1 15073473 CIUKNHJVOFJARU-GOSISDBHSA-N 384.451 2.932 0 3 GFAF CCC(=O)Nc1cccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1 59808278 GREOLQFCVBCKBA-UHFFFAOYSA-N 396.491 2.804 0 3 GFAF COC(=O)C1=C(C)N(C)C(NCc2ccc3c(c2)OCO3)=N[C@@H]1c1ccccc1 199422816 HYAAACLQAGFBOC-HXUWFJFHSA-N 393.443 2.995 0 3 GFAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc4cc[nH]c4c3)CC1)C2 117348179 XAHBYWOQGRBOKX-UHFFFAOYSA-N 388.471 2.887 0 1 GFAF Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1[C@H](c2ccccc2)C[C@@H](O)[C@H]1O 2356536363 SYKDGTAGSPMVHK-XWDORNJCSA-N 378.428 2.658 0 1 GFAF COc1c2c(nc3occc13)[C@@](C=CC(C)(C)O)(OC)[C@H](OC(C)=O)CC2 2356549644 COPSXBJZFMKKPE-QRWLVFNGSA-N 375.421 2.883 0 1 GFAF COc1cc(Nc2c(C(N)=O)cnc3ccc(S(C)(=O)=O)cc23)ccc1F 40862208 ZZBYPKXYJVXBEF-UHFFFAOYSA-N 389.408 2.629 0 1 GFAF C[C@H]1CN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C[C@H](C)O1 146169641 JGMBEPRRCCMDEG-STQMWFEESA-N 381.423 2.575 0 1 GFAF C=CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 618017434 KUVONSDLBJWBNY-NSHDSACASA-N 378.372 2.709 0 1 GFAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)[C@H](C)F)[nH]c3c2)cc1 587126078 VPPFMSRKJQAWIV-QFYYESIMSA-N 378.429 2.730 0 1 GFAF O=C(N[C@@H](c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1 587221135 FONSTGDQLCCSGO-ZDUSSCGKSA-N 377.429 2.867 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(C(=O)O)c3[nH]2)cc1 587228210 IZQVJDQHJYAOEB-UHFFFAOYSA-N 382.376 2.760 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)/C=C/C(=O)O)cc1)[C@@H](C2)C3=O 587433793 WPKLUOSGNNBDFW-SFBJNNDYSA-N 393.395 2.937 0 1 GFAF C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)N1CCOCC1 587655731 ABGSVKKZGHLTLQ-CYBMUJFWSA-N 399.397 2.703 0 1 GFAF COC(=O)[C@]1(C(C)C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963202511 ZRYLNOOTKILSIR-IUODEOHRSA-N 379.762 2.982 0 1 GFAF CCc1ccccc1NC(=O)[C@H](Cc1cccc(OC)c1OC)c1nn[nH]n1 5674486 QTWXICORQBEVBH-OAHLLOKOSA-N 381.436 2.744 0 3 GFAF O=C(CCN1CCCCC1=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 12299029 XVXAUCXSXZFAFE-SFHVURJKSA-N 377.916 2.823 0 3 GFAF C[C@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 13974336 ALQOAWMDMFFUJK-VIFPVBQESA-N 390.241 2.959 0 1 GFAF COc1ccc(-c2nc(SC)ncc2C(=O)NC2CCOCC2)cc1OC 1857775152 AGJNKFRMZFTZNZ-UHFFFAOYSA-N 389.477 2.792 0 1 GFAF C#CCN(Cc1ccc(C)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 140408166 QUGSCTIHJADWHO-QFIPXVFZSA-N 396.441 2.888 0 1 GFAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4046302 ZUXCDYLMILWGDG-HKUYNNGSSA-N 385.464 2.572 0 1 GFAF COc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(OC)c1 8598183 QKCFEPXKPUGWHF-UHFFFAOYSA-N 394.474 2.939 0 1 GFAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F 113487409 NINBBPOPLGIVTA-UHFFFAOYSA-N 380.376 2.619 0 1 GFAF CC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C[C@H]1N 27198974 FUDKJNYIYARHMJ-BLLLJJGKSA-N 385.464 2.607 0 1 GFAF CCOC(=O)N1CCC(NC2=NS(=O)(=O)C(c3ccc(C)cc3)=C2C)CC1 20465386 XHYXNQSJKKDTJE-UHFFFAOYSA-N 391.493 2.678 0 1 GFAF CCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O 64548423 LNSKUWIFWXIIDU-KRWDZBQOSA-N 394.512 2.810 0 1 GFAF C[C@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2C(=O)O1 214136596 SXHXNWAJMDYKPB-APPDUMDISA-N 387.819 2.867 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CCCC[C@H]1O 222400803 XPMXMSKJKVFHSA-VQIMIIECSA-N 391.475 2.935 0 1 GFAF CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2cccnc21 82158485 WMGGYIKBPUVPFM-UHFFFAOYSA-N 388.431 2.792 0 1 GFAF Nc1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cn1 144763566 JTXUPMSNFJQVKC-MRXNPFEDSA-N 379.420 2.846 0 1 GFAF O=C(NCc1ccco1)c1ccc(CN2Cc3ccccc3S2(=O)=O)cc1 299826621 QWPXLIQZYYDCJI-UHFFFAOYSA-N 382.441 2.914 0 1 GFAF CC(C)(C)OC(=O)NC1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CCC(O)CC1 587237587 VAPGCENYGHCCNH-IHBYNMNLSA-N 389.456 2.942 0 1 GFAF Nc1ncnc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc12 587231275 OPFXHEGKFDDQEY-UHFFFAOYSA-N 389.419 2.824 0 1 GFAF COC(=O)c1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774806 XYERSUXGAJTRSS-AYVTZFPOSA-N 380.217 2.788 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)C(=O)Nc2c(C(F)(F)F)cccc21 962923621 ITGUEROROXIUED-LJQANCHMSA-N 389.377 2.749 0 1 GFAF Cc1cc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)no1 12459793 IOAZXNPBYHZAPG-OAHLLOKOSA-N 375.856 2.734 0 3 GFAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@]2(CC[C@@]3(CO[C@H](O)C3)O2)[C@H](C)[C@H]1O 169310287 XUFKRKJXYWRSRT-CIVNXFMQSA-N 396.524 2.788 0 1 GFAF Cn1c(-c2ccccc2)cc(=O)c2c1CCN(C(=O)c1ccc(C(=O)O)cc1)C2 1857548757 QFRPXQHDCFVBAL-UHFFFAOYSA-N 388.423 2.949 0 1 GFAF COc1ccc(-c2nn(C)c3sc(C(=O)N4CCOCC4)cc23)cc1OC 4142587 UTTXHIYENYPSKD-UHFFFAOYSA-N 387.461 2.791 0 3 GFAF Cc1nn([C@H]2CCCS2(=O)=O)c2ncc(C(=O)c3cc(F)ccc3O)cc12 1911579356 VERABFWJTDBTRC-MRXNPFEDSA-N 389.408 2.523 0 1 GFAF CN(C)CCc1c([C@@H](c2c[nH]c3ccccc23)[C@H](O)CO)[nH]c2ccc(O)cc12 103241718 KYYGLQFKUQDRLE-YADHBBJMSA-N 393.487 2.944 0 1 GFAF Cc1ccc(C[n+]2c(-c3ccc4c(c3)OCO4)sc(CCO)c2C)c(N)n1 29125717 CICAMVKCXQRVLY-UHFFFAOYSA-N 384.481 2.608 0 1 GFAF Cc1cc(=O)[nH]c(SCc2cc(=O)n3nc(SCC(C)C)sc3n2)n1 20858887 FVOSVHAORCAEJF-UHFFFAOYSA-N 395.535 2.583 0 1 GFAF O=C(Cc1ccccc1)NC1CCN(CCCn2c(=O)oc3ccccc32)CC1 64574039 RDKQFTGNSSUDTB-UHFFFAOYSA-N 393.487 2.808 0 1 GFAF C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCCCN1CCCC1 82070593 ZWEVEYYUAPKRJB-OAHLLOKOSA-N 386.521 2.531 0 1 GFAF COC1CCC2(CC1)Cc1ccc(-c3cccnc3)cc1[C@@]21N=C(N)N(C)C1=O 141359911 PNBXBKXPZDFHIM-CKRJSAQMSA-N 390.487 2.862 0 1 GFAF Cc1ccc(-c2cc(C(F)(F)F)[nH][n+]2-c2ccc(S(N)(=O)=O)cc2)cc1 140725446 RZEKVGVHFLEQIL-UHFFFAOYSA-O 382.387 2.933 0 1 GFAF OCC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 140213172 BWXNFUBGQZFQOI-UHFFFAOYSA-N 375.476 2.837 0 1 GFAF O=C1C(=O)N(c2cccc3c2OCCO3)CCN1Cc1ccc(F)cc1Cl 95565187 TUPMFEOEJMBEJW-UHFFFAOYSA-N 390.798 2.626 0 1 GFAF COC1=C(c2ccccc2)C(=O)O[C@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 95594064 BDKJWIMCKYLJNX-CTNGQTDRSA-N 399.418 2.679 0 1 GFAF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@@H](C(=O)O)[C@]2(Cl)C(=O)O 96910211 CBODUWBNIBXAQZ-GIYDNNGJSA-N 386.787 2.986 0 1 GFAF O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1 253738257 QDNGVIMUWLFPTA-UOVKNHIHSA-N 376.865 2.861 0 1 GFAF O=C(/C=C/c1ccc(F)cc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@@H](O)c1ccccc1 299829866 VPWVKJVEQBZDQU-USVIMINCSA-N 398.386 2.567 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 586969508 UGYOBDMOIDCREF-UHFFFAOYSA-N 392.506 2.567 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3[C@H]2CN[C@H]3C(=O)O)N1 587799053 VZTJJJJPYJISPX-BLBCOPEYSA-N 397.288 2.790 0 1 GFAF CC1(C)C[C@]2(CS(=O)(=O)C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587614611 SRJJPNSYVADGKJ-OXJNMPFZSA-N 388.441 2.937 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(CCC(=O)N(C[C@H]4CCCCO4)CC1)[C@@H](C2)C3=O 587439529 VGNXNWVWCGRGBF-ULYRPOKDSA-N 385.460 2.763 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCCN1CCOCC1 587873246 WQENPTYAMNVVEP-UHFFFAOYSA-N 392.500 2.533 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](Cc2ccncn2)(c2ccc(F)cc2)N1 962893067 GBEGZHLAGVJBCF-FPOVZHCZSA-N 381.382 2.840 0 1 GFAF O=C(NCCN1CCC(n2c(O)nc3ccccc32)CC1)c1cccnc1Cl 169303537 XEQCHRYRMNWPHW-UHFFFAOYSA-N 399.882 2.857 0 3 GFAF Cc1cncc(C(=O)N[C@@]23CCC[C@](NC(=O)c4cccc(F)c4)(CC2)C3)n1 169710851 JJSGQCLDNBSOPP-SFTDATJTSA-N 382.439 2.929 0 1 GFAF COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1 206057976 ULZQCARGUCWEAH-NVXWUHKLSA-N 390.436 2.566 0 3 GFAF COCC(=O)N1CCN(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166963262 PPZNRZQWNODAQG-UHFFFAOYSA-N 394.475 2.529 0 1 GFAF CN(C)CCOc1cc(NCc2ncc(-c3ccccc3)[nH]2)ccc1C(=N)N 1857552692 ITQRHXNRVOUJTK-UHFFFAOYSA-N 378.480 2.913 0 1 GFAF Cc1ccccc1-n1c(CN2CNc3c(N)ncnc32)nc2cccc(C)c2c1=O 1857637824 QNIOLLYYICDQMR-UHFFFAOYSA-N 399.458 2.764 0 1 GFAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCn2ncnc2[C@@H]1CN1CCCC1 3813384 GEMQOTQZNVHANG-INIZCTEOSA-N 394.306 2.807 0 1 GFAF COC(=O)C1=COC[C@H](CCO)[C@H]1Cc1nccc2c3ccccc3n(C)c12 2356440816 RGHFKJLQDFUAFT-WMLDXEAASA-N 380.444 2.971 0 1 GFAF NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCOCC2)c1 58568611 PWTKJKCIEKKESY-UHFFFAOYSA-N 381.480 2.824 0 1 GFAF Cn1c(CO[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2F)nc2ccccc21 2356302016 JXYDPRLOTCGYOJ-CRAIPNDOSA-N 389.452 2.501 0 1 GFAF C[C@H](S(=O)(=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)C(F)(F)F 26024602 FXJXGPQDWAZHPA-ZCFIWIBFSA-N 386.291 2.640 0 1 GFAF C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1O 26646303 XSEATCRLUQXUFA-NXEZZACHSA-N 393.390 2.601 0 1 GFAF COc1c(N2CCSCC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 29123176 NMSDGCWERWFJQZ-UHFFFAOYSA-N 378.425 2.736 0 1 GFAF CN(C)[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 2356495307 OELGKSSJJXGXLW-XDNAFOTISA-N 395.425 2.624 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CCC[C@@H](C(=O)O)[C@]21C 2356580372 PLUOSPXAEMKKRW-QAIXINNLSA-N 392.448 2.991 0 1 GFAF CC(=O)O[C@@H]1C(=O)[C@H](C)[C@]2(CC[C@]3(CO[C@H](O)C3)O2)[C@]2(C)CCCC(C)(C)[C@H]12 2356648336 WYYAQYOZQLIYRP-XTJNGRKISA-N 394.508 2.996 0 1 GFAF O=S(=O)(c1ccc(Cl)cc1)N1CCc2n[nH]cc2[C@H]1c1nccs1 49069620 OGBXQEIQBNWCPQ-AWEZNQCLSA-N 380.882 2.856 0 1 GFAF CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(-c3ccc(F)nn3)c3ccccc13)C2 220962371 GQSGJTJSZLZZIF-ZIAGYGMSSA-N 396.422 2.578 0 1 GFAF COc1cc(-c2c[nH]c(=O)c(-c3cc(OC)c(OC)c(OC)c3)n2)ccc1O 220919630 XRMSZZGPKBSNTA-UHFFFAOYSA-N 384.388 2.844 0 1 GFAF Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccccn2)c1 95593804 OFUBITAYGVGJLW-UHFFFAOYSA-N 375.432 2.775 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CN(C)C(=O)NC(C)C)cc1 95871690 NXOMLOHGIVAZQJ-GIVMDULRSA-N 387.524 2.835 0 1 GFAF CNC(=O)c1nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2c1NC(C)C 95592180 RAUUBCQCCDUMGC-UHFFFAOYSA-N 398.488 2.880 0 1 GFAF CN(C)CC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO 95878243 LYVWMTSQDBFSME-HARLFGEKSA-N 379.504 2.616 0 1 GFAF COc1nc(-c2ccc3c(c2)OCCO3)nc(=NCCc2ccc(F)cc2)[nH]1 473162696 JCINMNLNRCOEOW-UHFFFAOYSA-N 382.395 2.534 0 1 GFAF C[C@@H](O)c1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 653723658 XHFBXAVGWNFGKV-OAHLLOKOSA-N 382.460 2.677 0 1 GFAF COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2n1 587120285 WFGGTBRLRROISI-UHFFFAOYSA-N 379.342 2.887 0 1 GFAF COC(=O)/C(=C\N(C)C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758883 ZAHREFYDDWHPCX-JKGZDGAYSA-N 385.277 2.956 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1C=C(C(=O)O)NN1c1ccccc1)O2 587394677 YPPCTKFFUTUMIF-NQIIRXRSSA-N 379.416 2.663 0 1 GFAF COC(OC)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573850 USCOBWAGTJRPEW-BUGVJISQSA-N 385.416 2.787 0 1 GFAF CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)[C@H]21 962960448 GICIWAFHAWZTBJ-JIXIAVSQSA-N 385.794 2.632 0 1 GFAF N=C(N)NCCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 1772570599 VRMUXKLSRZUULH-UHFFFAOYSA-N 394.323 2.780 0 1 GFAF COC(=O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(O)c3C2)cc1 1857553720 IIFXOEHKSRCLRR-UHFFFAOYSA-N 389.411 2.834 0 1 GFAF CCn1c2c(c(=O)n(Cc3ccc(C)cc3)c1=O)CN(Cc1ccccc1)CC2 1857564333 XAWCBNCSEFWKFY-UHFFFAOYSA-N 389.499 2.945 0 1 GFAF CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)no1 101409093 WZGZVQBRMLZELW-GASCZTMLSA-N 392.500 2.589 0 1 GFAF C[C@@H](NS(C)(=O)=O)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 23181966 HDBYKRUMBPFPJH-RDTXWAMCSA-N 397.541 2.688 0 3 GFAF Cc1cc2c(cc1C)[C@@]13CCN(C)CC4=CCO[C@H]5CC(=O)N2[C@@H]1[C@H]5[C@H]4CC3=O 2356618087 FLBVMURVUYAZMG-DSAHMVKASA-N 392.499 2.526 0 1 GFAF CCc1cc(Br)c(O)c(C(=O)NC[C@@H]2CCCN2CC)c1OC 27760799 LMAPWCRRKMSUGI-LBPRGKRZSA-N 385.302 2.940 0 1 GFAF Cc1cc([C@H](C)NCCOCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 35878331 NRQSVCDMDAGNQK-HNNXBMFYSA-N 381.436 2.567 0 1 GFAF CS(=O)(=O)Cc1cc(N2C[C@@H]3CC[C@H](C2)O3)nc(-c2ccc3[nH]ccc3c2)n1 84757714 WLUUEQZPBDKNPQ-CALCHBBNSA-N 398.488 2.537 0 1 GFAF OCCNCCOc1ccc(-n2cc(-c3cccc(O)c3)c3cncnc32)cc1 40897799 KWSIZXQOLWJTOX-UHFFFAOYSA-N 390.443 2.754 0 1 GFAF COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@]1(O)C[C@H]4N(C[C@@H](CC3)[C@@]24C)C[C@H]1C 141468937 JHCADBPJWZOJRG-VBIFSVJFSA-N 395.455 2.643 0 1 GFAF Cn1cc(-c2ccc(C3(c4nnc5n4CCS[C@](C)(CO)C5)CC3)cc2)cn1 148307834 PTXJDKXORGVEGX-FQEVSTJZSA-N 395.532 2.799 0 1 GFAF N#Cc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCCCC2)c1 43527067 KSKUCSRLWPTKOJ-SVFBPWRDSA-N 381.524 2.876 0 1 GFAF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)([C@H](C)/C=C/C(=O)O)N1 587832687 ZXWMPRANBMOBFW-GJKZTXPZSA-N 386.217 2.679 0 1 GFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586958316 IFUBGKANJAFGRS-OAHLLOKOSA-N 387.795 2.963 0 1 GFAF COC(=O)c1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cn1 587120342 ZCUGWEZRQIOCRO-UHFFFAOYSA-N 379.342 2.887 0 1 GFAF COc1cc2c3c(c1)O[C@@]1([C@@H](C(=O)C(=O)O)[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587446810 GAYAMQLPPPGKSF-ODQRWPQUSA-N 384.428 2.907 0 1 GFAF CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587393315 FWACEVVOQDQMGC-YCRPNKLZSA-N 388.464 2.793 0 1 GFAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587925478 BFJQSIQFELOSBK-ZDUSSCGKSA-N 375.450 2.769 0 1 GFAF O[C@@H]1CCCCCCCN=C2N=c3c(c(-c4ccncc4)cn3CCCC1)=CN2 1772626093 ASMYWCGHYWQPGO-LJQANCHMSA-N 393.535 2.752 0 1 GFAF O=C1NC(=O)C(c2ccc(Oc3ccc(Br)cc3)cc2)C(=O)N1 13643706 KLUMXQDRHKUFQH-UHFFFAOYSA-N 375.178 2.691 0 1 GFAF C[C@H](c1ccc(F)cn1)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21 116868580 ADCLIGYIOGFSIW-SNVBAGLBSA-N 393.357 2.717 0 1 GFAF Cc1nnsc1C1=NN[C@@H]2SC(c3c(-c4ccccc4)noc3C)=NN12 103215563 LRWHKKYVUGUHHU-INIZCTEOSA-N 383.462 2.769 0 1 GFAF CNC(=O)CNC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103199592 BOZGUHGZAYBYIZ-JTQLQIEISA-N 398.246 2.810 0 1 GFAF CS(=O)(=O)c1ccc(CNC[C@@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 2356300010 SCRUVXXEWVRLFT-GOSISDBHSA-N 397.500 2.642 0 1 GFAF COC(=O)Nc1nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2[nH]1 26023080 JIYZEDVNLMKOKR-UHFFFAOYSA-N 379.420 2.704 0 1 GFAF COc1ccc2[nH]cc(C3=C(NCCc4ccc(F)cc4)C(=O)N(C)C3=O)c2c1 64417443 IZBFFGYKCNACTB-UHFFFAOYSA-N 393.418 2.858 0 1 GFAF Cc1ccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1C 20901517 IFGQNSBHXFAQQU-OAHLLOKOSA-N 385.493 2.889 0 1 GFAF Nc1cc(N2CCN([C@H](CN3CCCCC3)c3ccc(F)cc3)CC2)ncn1 219040843 YBTRLRWHXNZKMS-LJQANCHMSA-N 384.503 2.547 0 1 GFAF COC(=O)[C@@]12CC[C@@]3(C=CCN4C(=O)C[C@@]5(C1=Nc1c(OC)cccc15)[C@H]43)C2 2356635698 HGQBJRIJBYPBDS-FVTFTPSCSA-N 378.428 2.533 0 1 GFAF O=C(N[C@H]1Cc2ccccc2N(CCO)C1=O)c1cc2cc(Cl)ccc2[nH]1 28818304 KCMCGGMTGBVPCQ-KRWDZBQOSA-N 383.835 2.501 0 1 GFAF CC(=O)O[C@H]1OCC2=C[C@@H](OC(C)=O)[C@@H]3C(C)(C)CC[C@@H](OC(C)=O)[C@@]3(C)[C@H]21 15159702 AHYOMNHOEAZVJA-NYQSJBLOSA-N 394.464 2.768 0 1 GFAF biogenic COc1cc([C@H]2Oc3cc4c(c(O)c3C(=O)[C@@H]2O)C=CC(C)(C)O4)ccc1O 15203306 OCKDILXFKXBQJW-VQTJNVASSA-N 384.384 2.968 0 1 GFAF biogenic O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1c(F)cccc1F 40420931 OAJGBEQKPOBZFA-UHFFFAOYSA-N 380.372 2.806 0 1 GFAF CCOc1ccc2c(c1)cc([C@@H](O)P(=O)(OCC)OCC)c1nnnn12 49525604 IQUODIHFDPYOAF-INIZCTEOSA-N 380.341 2.933 0 1 GFAF Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 84633292 YOLJYZUKAHEMMW-UHFFFAOYSA-N 390.495 2.703 0 1 GFAF in-vitro O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC[C@@]2(CCCO2)C1 146281584 LQTDFSNNPGGLMU-IBGZPJMESA-N 393.434 2.721 0 1 GFAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)NC1CCCC1 95667981 RBOQZBXYXGFYSO-YPAWHYETSA-N 394.519 2.652 0 1 GFAF C/C=C1/CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 238766998 RFHZMDBYJUMARX-BIVANZKCSA-N 382.460 2.620 0 1 GFAF Cc1noc(-c2cnn3c2[nH][n+](=O)c2ccc(OCc4cccs4)cc23)n1 377845420 RPBGZJACSKPVHU-UHFFFAOYSA-N 381.397 2.729 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(S(C)(=O)=O)cc1)CC2=O 587487483 OFZLYIBBPYHTQQ-FQEVSTJZSA-N 390.457 2.601 0 1 GFAF O=C(O)CCN(CCc1nc2cc3c(cc2[nH]1)NC(=O)CC3)Cc1ccccc1 587193319 HDWKGQQMUYXMMV-UHFFFAOYSA-N 392.459 2.967 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(=NCCCC(=O)O)[nH]c1C)O2 587415185 YDKNCZCPTJUHME-LJQANCHMSA-N 389.477 2.921 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-n2ccnc2)nn1 587867803 BSOOPMCOBFTUOI-UHFFFAOYSA-N 387.325 2.937 0 1 GFAF O=C(O)c1ccc(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)o1 587561903 XXASENCEPRYYOB-UHFFFAOYSA-N 379.328 2.973 0 1 GFAF COCOCC[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)NCCc2c(C)ccnc21 963078046 WMBCOHSTNAFCGT-JXFKEZNVSA-N 397.491 2.604 0 1 GFAF NC[C@@H]1CCNc2c(C(N)=O)c(-c3ccc(OCc4ccccc4)cc3)nn21 1772648166 QGPPKEHMIBCXNG-INIZCTEOSA-N 377.448 2.543 0 1 GFAF COc1cccc(Oc2ccc(OC)cc2-c2nc(S(C)(=O)=O)n[nH]2)c1 1857752828 JVBOBVXHJHWROY-UHFFFAOYSA-N 375.406 2.685 0 1 GFAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC(C)(C)O2 2487760 NMSIYKGEEBHGJH-AEFFLSMTSA-N 376.497 2.824 0 1 GFAF O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4049739 YECZYMVOMYFBFZ-UNMCSNQZSA-N 391.471 2.907 0 1 GFAF COCC(=O)N1CCC2(CC1)CCN(C(=O)Nc1ccc(OC)cc1)CC2 4237943 MYCFDOUMFUPKEF-UHFFFAOYSA-N 375.469 2.578 0 1 GFAF CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1 13780038 JRAYBSNGZOESOJ-UHFFFAOYSA-N 375.332 2.946 0 1 GFAF COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc2c1OC 15271717 JQGZBLKKSMADGT-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic O=C1CCc2cc([C@H](O)CN3CCC(O)(c4cccc(F)c4)CC3)ccc2N1 28952135 ZTOSZJPNPROTBL-HXUWFJFHSA-N 384.451 2.727 0 1 GFAF CC(C)c1cc([C@@]2(c3cccc(-c4cncnc4)c3)NC(=N)N(C)C2=O)ccn1 45336919 WEPVSZQVQNITEF-JOCHJYFZSA-N 386.459 2.902 0 1 GFAF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(F)(F)F)ncc1CC2 49783714 URBLFMVEDFWKGZ-UHFFFAOYSA-N 388.353 2.837 0 1 GFAF CC(C)(C)n1nnnc1CN1[C@@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2 100984336 XQIQQLOYGWJBCC-IAGOWNOFSA-N 383.500 2.745 0 1 GFAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc(C(F)(F)F)ncn3)C2)cc1 142181655 RMZLEHUUZNAGKN-NSHDSACASA-N 380.370 2.960 0 1 GFAF N[C@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC[C@H]1F 205253944 XWSXADANHDIBHB-CVEARBPZSA-N 389.438 2.957 0 1 GFAF CC[C@]1(C)CN(C(=O)CN2C[C@@H](C)NC[C@@H]2COC)c2cc(Cl)ccc21 205484555 RQHFOWITPJFASQ-AKCHCHLHSA-N 379.932 2.663 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)cnc2[nH]1 587231439 ODVROHOCCOEARA-NEPJUHHUSA-N 381.274 2.757 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(C(=O)O)cn2)N1 587774580 WRSPHGYIGLIQQK-BCTVWOGZSA-N 380.217 2.874 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H](C(=O)O)[C@H](C(=O)O)C2)N1 587828399 SJQQMVBGMHRLLX-SZEHBUNVSA-N 386.217 2.513 0 1 GFAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccncc2)(c2ccccn2)N1 963222201 KMJCFJMTLOZVPI-OFNKIYASSA-N 382.423 2.916 0 1 GFAF CC(C)(O)C1CCN(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1 1772588323 DOCGAQWFPIWCQR-UHFFFAOYSA-N 395.507 2.962 0 1 GFAF CC(C)c1cc(N=c2[nH]c(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)c1 1911576814 PMWQCOSEQIUURH-KRWDZBQOSA-N 396.539 2.915 0 1 GFAF CC=C1CN2CC[C@@]34c5ccccc5N[C@@H]3[C@@]2(C)C[C@@]1(C)[C@]4(CO)C(=O)OC 2356507307 RKEYBMSLSYRTDT-KNQBKSORSA-N 382.504 2.705 0 1 GFAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@](C)(O)C(=O)CC[C@@]3(C)O)[C@@H]21 2356546048 XTZRJSQVKAGUBF-BTJCCMKUSA-N 396.524 2.629 0 1 GFAF CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CCc2ccc(=O)[nH]n2)C1 12597085 QRVUUUGJVWEBIU-GOSISDBHSA-N 391.475 2.718 0 3 GFAF O=C1N[C@@H](Cc2ccccc2)c2nc3ccc(F)cc3c(=O)n2-c2ncccc21 61921453 SZRXDFRAHGIVNY-SFHVURJKSA-N 386.386 2.947 0 3 GFAF COc1ccc(CN2C(=O)CC[C@@]2(C)c2nnnn2Cc2ccccc2)cc1 199214083 FIWMQDRTRVSQEW-NRFANRHFSA-N 377.448 2.768 0 3 GFAF Cc1cc(C)cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)n3ccnc3c2C(N)=O)c1 3821016 XAZBDQHARDGYFI-JKSUJKDBSA-N 393.495 2.870 0 1 GFAF C[C@H]1CCC[C@@H](NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)[C@@H]1C 6839556 JANSESFGIKWRTR-WOSRLPQWSA-N 387.505 2.929 0 1 GFAF CCC(=O)N1[C@@H](C(=O)NCCC2=CCCCC2)CSC12CCN(C)CC2 6943588 IEFPJIVLRUHUEN-QGZVFWFLSA-N 379.570 2.769 0 1 GFAF CC(=O)O[C@@H]1OCC2=CC[C@H]3C(C)(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]3(C)[C@H]21 28537437 BTLCKRDHBLXMKX-YVTZDOGHSA-N 394.464 2.768 0 1 GFAF S=C1Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CN12 22940670 MLCJXTBXXGDLFP-INIZCTEOSA-N 377.517 2.650 0 1 GFAF Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCc3ccoc3)c2c1=O 115624980 POZXEQURQKODNU-UHFFFAOYSA-N 391.431 2.823 0 1 GFAF CN1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]1c1ccc(Br)cc1 28647706 KVDOMPWIXVIVQK-ARFHVFGLSA-N 387.233 2.925 0 1 GFAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CC1 116880696 OUMNETVFYOWILO-IZAXUBKRSA-N 398.551 2.614 0 1 GFAF CC(C)(NC(=O)c1nn(CCN2CCOCC2)c2c1C[C@H]1C[C@@H]21)c1ccccc1 218904975 PNFLZQSSTUBFBH-SJLPKXTDSA-N 394.519 2.540 0 1 GFAF CC[C@H](C)C(=O)O[C@@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O 14589864 LEQFGQJFFOQFOZ-NBHSMZAVSA-N 378.421 2.564 0 1 GFAF biogenic O=C(OC1CCN(c2ccn3ccnc3c2)CC1)N1CCN(C2CCC2)CC1 223508676 OMZYNNHBHJMMMY-UHFFFAOYSA-N 383.496 2.610 0 1 GFAF O=C(NC[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)c1ccccn1 95895872 SUAIUIFWIKRRDO-FSSWDIPSSA-N 391.446 2.734 0 1 GFAF O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ncccn1 95562579 ZUHPARLSVZAEPA-UHFFFAOYSA-N 397.851 2.990 0 1 GFAF CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CC1)C(=O)NC1CCCC1 95895179 PGJWGINDJVJJKY-NJDAHSKKSA-N 399.535 2.726 0 1 GFAF O=S(=O)(Cc1cn2cc(I)ccc2n1)c1ccccc1 96939350 BETAHDNWKVYNIW-UHFFFAOYSA-N 398.225 2.913 0 1 GFAF CC1(C)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)[C@@](C)(O)CC[C@H]1O 38267949 PEZKHODDJHYPEQ-LZJOCLMNSA-N 388.416 2.988 0 1 GFAF biogenic COc1ccc(NS(=O)(=O)c2ccc3nc(CC4CC(N)C4)[nH]c3c2)cc1 587255046 CBMKUBOHGDWJJH-UHFFFAOYSA-N 386.477 2.652 0 1 GFAF COc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587807137 JWPFMOLAEXWLOJ-MLCYQJTMSA-N 396.256 2.685 0 1 GFAF O=S(=O)(c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1)N1CCOCC1 587026840 YNKMKJLZKYOZKH-RJRFIUFISA-N 375.475 2.816 0 1 GFAF C/C=C\C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433964 YHQVEGALQGUTEE-HHGIRCLMSA-N 383.444 2.737 0 1 GFAF CC[C@@H](C)n1ncc(I)c1-c1nc2nccc(N)c2[nH]1 587181042 LWWJJVNOQDQHKJ-SSDOTTSWSA-N 382.209 2.979 0 1 GFAF CCOC(=O)[C@H]1CS(=O)(=O)CC[C@@]12NCCc1cccc(-c3ccccc3)c12 962661264 JFTMWBNXRSZJED-DENIHFKCSA-N 399.512 2.692 0 1 GFAF C[C@@H]1CCCC(=O)[C@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963145189 NGFHGXDPAXWNGZ-QAMHXRKUSA-N 380.466 2.974 0 1 GFAF COCCCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C 12129853 PPRLCRPTEWKYQT-UHFFFAOYSA-N 391.475 2.893 0 1 GFAF CC/C=C/[C@@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 169326916 XNUWGEPKIOWLHQ-VRVHGJFPSA-N 385.460 2.866 0 1 GFAF Cc1cccnc1N1CCC(c2[nH]nc3c2[C@@](O)(C(F)(F)F)CC(=O)N3)CC1 1857562087 KPCPDTPBYLXHFD-QGZVFWFLSA-N 395.385 2.589 0 1 GFAF CCCSc1nc(N(C)C)ncc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101550236 VQFHRWVKAMEZEK-ZGJIDNHOSA-N 390.553 2.714 0 1 GFAF Cn1cc(-c2ccnc(NCc3ccccc3N3CCC(CO)CC3)n2)cn1 23368079 JTYYYBLDXUSIMS-UHFFFAOYSA-N 378.480 2.698 0 1 GFAF COc1cc(Cl)ccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 116823654 MGSNPGTXJLBZKW-HUUCEWRRSA-N 386.883 2.964 0 1 GFAF N[C@H](Cc1ccc(F)cc1)C(=O)NCC[C@H](Cn1cncn1)C1CCCCC1 29126515 XDPKKXZLQXHONB-UYAOXDASSA-N 387.503 2.690 0 1 GFAF CC(=O)OC[C@]12C(=O)C[C@H](C)[C@](C)(CCc3ccoc3)[C@@H]1[C@@H](O)CC[C@@]21CO1 14969770 WANDVJULGULKJH-PUQGLQIQSA-N 390.476 2.917 0 1 GFAF biogenic O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 587203788 UIMQCKINDNNCOP-AWEZNQCLSA-N 383.360 2.703 0 1 GFAF Cc1cc(NC(=O)N2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)sn1 1772578734 KSIKQWKOYHAWGR-UHFFFAOYSA-N 382.453 2.782 0 1 GFAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]4CC[C@@H](C3)N4C)c(F)c21 13650307 YQXQKUZZGNMTLR-NEPJUHHUSA-N 391.418 2.671 0 1 GFAF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]12C[C@H]1[C@@H](N=O)c1ccccc1O2 169716580 MZNKZHJGVLNPEC-ROWPZFDLSA-N 380.400 2.546 0 1 GFAF Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1nccn1C 1857543076 ZOSREWVXQILDML-UHFFFAOYSA-N 380.473 2.558 0 1 GFAF COc1cc2ncc(-c3ccc(C(N)=O)cc3)n2cc1S(=O)(=O)C(C)(C)C 1857632612 DGTWXAQJKHBBOT-UHFFFAOYSA-N 387.461 2.681 0 1 GFAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1csc(-c2ccccc2)n1 1857637868 DAUXKUJVOGPDSH-HNNXBMFYSA-N 384.461 2.757 0 1 GFAF Cc1ccccc1N[C@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@@H]1c1ccccc1 220579944 DITQXHOILRJOOM-QUCCMNQESA-N 396.516 2.997 0 1 GFAF CCC(=O)Nc1ccccc1-c1nnn(CC(=O)N2c3ccccc3C[C@@H]2C)n1 1339670 HHIIBPQXGJDMPL-AWEZNQCLSA-N 390.447 2.666 0 3 GFAF N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC12CC2 3803937 JPKXWJYRVJVZOY-CYBMUJFWSA-N 391.830 2.755 0 1 GFAF COC(=O)C(=C/c1cc(OC)c(OC)c(OC)c1)/C(=C/c1ccccc1)C(N)=O 8664019 OHVFKSYQKWXSDA-VRNBXGKJSA-N 397.427 2.838 0 1 GFAF Cc1c(S(=O)(=O)Nc2cccc(-c3nnn[nH]3)c2)sc2ccc(N)cc12 114606361 JBNOQYLNSKWZKP-UHFFFAOYSA-N 386.462 2.773 0 1 GFAF COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccccn1)C3)CO2 100049057 WFPWGYYPRZNZTA-DVSDUFGPSA-N 382.460 2.745 0 1 GFAF O=c1cc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)[nH]c2ccccc12 22921758 FYNILRJOQQPDBD-FQEVSTJZSA-N 395.478 2.736 0 3 GFAF COc1ccc(C(=O)N[C@@H]2c3sc(C(C)=O)cc3OC(C)(C)[C@H]2O)cc1 29205161 UURJESOAFDIEED-WBVHZDCISA-N 375.446 2.962 0 1 GFAF O=S(=O)(NCCNCc1cccc(Cl)c1)c1cccc2cnccc12 27558349 IOUWWDSAAGGCGE-UHFFFAOYSA-N 375.881 2.956 0 1 GFAF CC(=O)NCCn1c(-c2cccnc2)nc2c(NCc3cccs3)ncnc21 82190254 BEFMPELHHIVDFQ-UHFFFAOYSA-N 393.476 2.698 0 1 GFAF COC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1c1nccc(Nc2ccccc2)n1 39301040 DIMLDMLVBMOPBE-ROUUACIJSA-N 381.480 2.826 0 1 GFAF NCC(F)=C1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 137320134 XQIXCSTWZYMQHK-UHFFFAOYSA-N 389.402 2.956 0 1 GFAF Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(N(C)C)n2)n1 223423990 DJCACNQAKVSNOL-GJZGRUSLSA-N 388.479 2.898 0 1 GFAF Cn1c(=O)c2cc3n(c2n(C)c1=O)C[C@@H]1[C@@H]3Nc2ccc(Cl)cc2C1(C)C 40867023 XDYWGVGVBQOVME-CJNGLKHVSA-N 384.867 2.766 0 1 GFAF O=C(NCCCN1CCOCC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 199391306 NXWRFGGPCYDHEN-UHFFFAOYSA-N 382.386 2.548 0 3 GFAF CN1CCC(Nc2ccc3ncc(-c4cnn(-c5ncccc5F)c4)n3n2)CC1 96937467 GRQCEUVWERREAF-UHFFFAOYSA-N 392.442 2.622 0 1 GFAF Cc1cc2nc(CCNC(=O)c3ccc(-n4cnnc4)c(F)c3)[nH]c2cc1C 299861587 LPCXRJFAOBLCRO-UHFFFAOYSA-N 378.411 2.872 0 1 GFAF O=C(O)[C@H]1CC[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603915 QDDUCZWAJKQLAT-GEACBCLJSA-N 398.367 2.678 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2cnn(C)c2)N1 587765404 TUMCUZWRIAMMGL-DRYXTDOFSA-N 394.244 2.740 0 1 GFAF C/C=C/C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433962 YHQVEGALQGUTEE-AWUFKXQNSA-N 383.444 2.737 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NS(C)(=O)=O)c(F)c1)O2 587380579 AVIJGSWVEKLBGX-GOSISDBHSA-N 378.425 2.968 0 1 GFAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1 587784468 HJORLYUTQAITNR-HZPDHXFCSA-N 399.472 2.757 0 1 GFAF Cc1cc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144640 MFZCPQYDVIDNKC-UHFFFAOYSA-N 379.351 2.951 0 1 GFAF CC1(C)OCCn2c1nc(/C(O)=N/Cc1ccc(F)c(Cl)c1)c(O)c2=O 35012436 WSDGRLFPCSFYMS-UHFFFAOYSA-N 381.791 2.512 0 1 GFAF COc1cc2c(c3oc(=O)ccc13)[C@@H](O)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 15263509 KULKFALUVSLOHX-IEBWSBKVSA-N 376.405 2.964 0 1 GFAF endogenous,in-man CNC(=O)c1coc([C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 169305072 XRRNUAXUYMWVSW-WFEDQXDTSA-N 384.432 2.555 0 1 GFAF CC(C)NC(=O)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 205212171 VKUQTRGSPUCVSR-UHFFFAOYSA-N 396.369 2.695 0 3 GFAF Cc1ccc(SC[C@@H](CF)O[C@H](C)n2cnc3c(=O)[nH]c(N)nc32)cc1 1855795 QOGHWQPMXJWPAI-VXGBXAGGSA-N 377.445 2.676 0 1 GFAF Nc1cc(OC(=O)c2ccccc2)nn1S(=O)(=O)c1ccc(Cl)cc1 4562820 YNOWTLNEDVEHOD-UHFFFAOYSA-N 377.809 2.575 0 1 GFAF O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1c[nH]nc1-c1ccccc1 11789945 NIEWNBVUPHBHKU-JOCHJYFZSA-N 392.459 2.958 0 1 GFAF N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cncnc3)ccc2=O)c1 25435342 UZESDFXODNXSLK-MOPGFXCFSA-N 383.455 2.796 0 1 GFAF biogenic COc1cc(C2=NN(C(N)=O)[C@H](c3ccc(F)cc3)C2)ccc1OCC(=O)O 28713542 FBMDLEKWERJXAX-HNNXBMFYSA-N 387.367 2.528 0 1 GFAF CN1C(=O)N(CC(F)(F)F)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95552729 OZEVWMNUYZWROE-NSHDSACASA-N 384.185 2.908 0 1 GFAF CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@@H]1n1cnc2c(Cl)ncnc21 95563000 JQXKUBUMPFEVRL-QPUJVOFHSA-N 389.790 2.615 0 1 GFAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccccc3)cnc2O[C@H]1CN(C)C 95711533 WYWRIWAKLMZJHI-QINHECLXSA-N 383.492 2.530 0 1 GFAF COC[C@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 101913002 NYCAJGBSVDYKKD-XTQGRXLLSA-N 381.885 2.776 0 1 GFAF COC1=NC2=C(CN1)[C@@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 102058741 QLQQIVYMJUUTHZ-LRDDRELGSA-N 381.885 2.515 0 1 GFAF CCNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(F)c1 114345690 WOVZBZPJTHFHQU-QGZVFWFLSA-N 383.427 2.639 0 1 GFAF CC[C@H](Nc1ncnc2nc[nH]c12)c1nn2cccc2c(=O)n1-c1ccccc1 205588312 AWZVQHUXYBJHNH-AWEZNQCLSA-N 386.419 2.715 0 1 GFAF NC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1 207739668 XSVNNGAAABIATC-SFHVURJKSA-N 383.423 2.843 0 1 GFAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586963574 OMQBEYFYIGFJHR-LBPRGKRZSA-N 380.451 2.857 0 1 GFAF COc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cn1 586977120 YDFQUWXXXZPLHI-OAHLLOKOSA-N 393.241 2.794 0 1 GFAF O=C1C[C@@H](c2cnn([C@@H]3CCS(=O)(=O)C3)c2)Oc2c1ccc1c2CCCC1 587529554 ADXHYVLPVVWQOZ-BEFAXECRSA-N 386.473 2.828 0 1 GFAF CCC[C@]1(CC2OCCO2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641753 YKOWCUOKCVYENF-SJKOYZFVSA-N 389.370 2.943 0 1 GFAF CCn1cc([C@@]2(CC(=O)C(F)F)NCCc3c(C(=O)O)cccc32)c(C)n1 963125746 SUPWJAQVDMJTIZ-IBGZPJMESA-N 377.391 2.523 0 1 GFAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 2356762330 SZXNKSQSULNMRW-BDTNDASRSA-N 397.563 2.801 0 1 GFAF CCCC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc(OC)cc2)n1 1372824 HVPJAFWIJJQIOE-UHFFFAOYSA-N 394.435 2.726 0 3 GFAF COc1ccc(Cc2nc3ccc(C(=O)N[C@H]4CCOC4)cc3o2)cc1OC 12716533 KOMVTGMHKUQUCL-HNNXBMFYSA-N 382.416 2.955 0 3 GFAF O=C(C1=CC2=N[C@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1)N1CCCC1 104032739 WBKHQMRKDZVDET-ZFWWWQNUSA-N 382.361 2.926 0 3 GFAF CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc(C)cc2n1Cc1ccccc1 13445781 POYSBCQIOOZMFS-UHFFFAOYSA-N 394.427 2.692 0 1 GFAF COc1cc(/C=C\C(=O)O)cc(-c2cc(/C=C/C(=O)O)cc(OC)c2O)c1O 13545724 LBQZVWQOPFFQJI-CIIODKQPSA-N 386.356 2.978 0 1 GFAF CC(C)(O)[C@H](O)CC/C(=C\CC/C(=C\CCc1ccoc1)C(=O)O)C(=O)O 15159225 MLYVKQKXGXBDRS-SANADSENSA-N 380.437 2.926 0 1 GFAF COc1cc2c(c3oc(=O)ccc13)[C@@H](O)[C@H](OC(=O)CC(C)C)C(C)(C)O2 15263506 KULKFALUVSLOHX-MJGOQNOKSA-N 376.405 2.964 0 1 GFAF endogenous,in-man O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOc2ccccc21 22778509 GFOKGPPIAVDUEO-UHFFFAOYSA-N 385.895 2.883 0 1 GFAF N[C@H](CCc1ccccc1)[C@H](O)C(=O)NCCc1ccc(Cl)cc1Cl 27990014 MQEOCSWVJOEMOI-MSOLQXFVSA-N 381.303 2.973 0 1 GFAF CC(=O)N1CCC(COc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)CC1 28961041 IKTGBDZWNJLCND-UHFFFAOYSA-N 392.459 2.966 0 1 GFAF O=C(Nc1cccc(C2=NCCCN2)c1)Nc1cccc(C2=NCCCN2)c1 45228564 BRSWJXJPZNHNDD-UHFFFAOYSA-N 376.464 2.810 0 1 GFAF CN(C(=O)NC(C)(C)C)S(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 71296937 DTNIFHDQESVTDC-GZBFAFLISA-N 380.514 2.811 0 1 GFAF COc1cccc(CN2c3ccc(Br)cc3[C@@H](O)CS2(=O)=O)c1 72138105 NBHQTLLSRPTQKY-INIZCTEOSA-N 398.278 2.841 0 1 GFAF CC(C)NC[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1S(C)(=O)=O 95895750 KGZAQDPFIJVXCQ-HKBOAZHASA-N 392.565 2.730 0 1 GFAF CS(=O)(=O)Cc1cc(N2C[C@@H]3CC[C@@H](C2)O3)nc(-c2ccc3[nH]ccc3c2)n1 101508667 WLUUEQZPBDKNPQ-IRXDYDNUSA-N 398.488 2.537 0 1 GFAF O=S1(=O)CCCCN1C[C@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21 148583927 RVNBVNLGQWBKSJ-HNNXBMFYSA-N 394.443 2.859 0 1 GFAF CN1CCN2c3c(cccc31)[C@@H]1CN(CCNC(=O)c3ccc(F)cc3)CC[C@@H]12 169309777 LYOXRYZFGVMNBM-PMACEKPBSA-N 394.494 2.683 0 1 GFAF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(Cc3nccs3)CCN21 2356541576 VGLUMASXAKMGEU-OAHLLOKOSA-N 388.512 2.703 0 1 GFAF O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Br)cc1 3030456 XIVNEFPVCFTATI-UHFFFAOYSA-N 388.217 2.878 0 3 GFAF aggregator Cc1ccc2c(=O)n3c(nc2c1)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1-3 61921436 TUZLKBGMVMDBER-IBGZPJMESA-N 398.422 2.822 0 3 GFAF C[C@@]1(c2nnnn2Cc2ccccc2)CSCC(=O)N1Cc1cccs1 203465331 YZTNDLNYPVYBFM-SFHVURJKSA-N 385.518 2.774 0 3 GFAF CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1 3817471 DKZQOVZUXFFNIX-UHFFFAOYSA-N 383.383 2.933 0 1 GFAF CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)Cc1ccccc1OC 4546799 ANBNCHJNGDHOSC-MOPGFXCFSA-N 390.524 2.940 0 1 GFAF Cc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccccn3)c(C)o2)cc1 4924708 GODWRFIRFLSTMB-MHZLTWQESA-N 383.473 2.919 0 3 GFAF aggregator Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(O)n(-c2cccc(F)c2)n1 101564406 UMMAONZVCLRTFG-INIZCTEOSA-N 383.379 2.971 0 1 GFAF O=C(NC[C@H]1CCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 58591144 VDTACYBUGLTWCI-GOSISDBHSA-N 390.491 2.700 0 1 GFAF COc1ccc(NC(=O)N[C@@H]2C[C@@H](c3nc(-c4ccncc4)no3)N(C)C2)cc1 2356300281 FYGJNVBJJAVNQR-WBVHZDCISA-N 394.435 2.707 0 1 GFAF C[C@H](Nc1ncc(Cl)c(Nc2cc(N(C)C)[nH]n2)n1)c1ncc(F)cn1 66099649 PPLRBMLMJLUEFX-QMMMGPOBSA-N 377.815 2.765 0 1 GFAF c1nc(-c2n[nH]c3ccc(-c4ccc5nncn5c4)cc23)cc(N2CCOCC2)n1 225573772 VNBBKHLHINVJAL-UHFFFAOYSA-N 398.430 2.566 0 1 GFAF Cn1nc(CCC(=O)Nc2ccccc2C(=O)O)c2c1-c1ccc(O)cc1C2 40936994 KAJYWMWSDDQACU-UHFFFAOYSA-N 377.400 2.966 0 1 GFAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 255201830 CDMVQQAHEQVSMF-IQVSUBBASA-N 390.520 2.577 0 1 GFAF Nc1nc(=NCCCCc2ccccc2)nc(N)c2c1ncn2Cc1ccccc1 653848798 UMABRCCMBLCZMN-UHFFFAOYSA-N 399.502 2.963 0 1 GFAF CCS(=O)(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587042110 IKRYGIMUOZKFPW-CQSZACIVSA-N 381.523 2.977 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N(C)C)nc3c(C)cccn3c1=O)O2 587395637 SUDAZXFHPHIHNJ-INIZCTEOSA-N 378.432 2.666 0 1 GFAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587163952 PJLYQBSRNYTIDU-QGZVFWFLSA-N 376.457 2.603 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(O)c(I)c1)O2 587385304 CRYFYLMLUUTULY-CYBMUJFWSA-N 396.184 2.989 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC3 586989925 STDMIVYNMQQZHX-DAKYAEBGSA-N 386.407 2.854 0 1 GFAF O=C(O)[C@@H]1C[C@H]2C=CC[C@@H](C1)[C@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239172 ZZONSNIDNUNDDG-HVLYZWPKSA-N 378.428 2.716 0 1 GFAF CN1C(O)=C(C(=O)Nc2nccs2)c2c(ccc3ccccc23)S1(=O)=O 13605558 ZJVNDVDXFSUKRB-UHFFFAOYSA-N 387.442 2.796 0 1 GFAF Cc1nnc2sc(C(=O)NC3CN(c4cccc(F)c4F)C3)c(N)c2c1C 1772645779 KWYCAGNWNMBWOL-UHFFFAOYSA-N 389.431 2.787 0 1 GFAF NC(=O)C(=O)c1c(C2CC2)c(CC2CCCC2)n2cccc(OCC(=O)O)c12 13758495 LGKALSZFNRTWKP-UHFFFAOYSA-N 384.432 2.681 0 1 GFAF CCOC(=O)CN1C(=O)[C@H](O)[C@H](c2ccc(OC)cc2)Sc2ccccc21 28221306 XNZGPMORLWVOSU-MOPGFXCFSA-N 387.457 2.799 0 1 GFAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2n1 28571151 JWQVALNUTRHORT-UHFFFAOYSA-N 380.374 2.981 0 1 GFAF COc1ccc([C@H]2NC(=O)C3=C(N2)N(c2ccccc2)C(=O)N2CCC[C@@H]32)cc1 45259273 DECVRVFTPMBVQD-PKOBYXMFSA-N 390.443 2.729 0 1 GFAF CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(CCO)[C@H]1c1ccc(F)cc1 84706734 KWDNHMJVEKZZKU-IBGZPJMESA-N 384.407 2.631 0 1 GFAF Cc1ccc(N2CCN(CCN3C(=O)O[C@H](c4ccccc4)C3=O)CC2)cc1 103210059 KSRCSTJDFPHVKU-HXUWFJFHSA-N 379.460 2.837 0 1 GFAF Cc1c(C(N)=O)cccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1 103255613 NUODIKTWVQSQRP-UHFFFAOYSA-N 380.452 2.969 0 1 GFAF CN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1 132304299 BCFCUBJHWFVXDZ-UHFFFAOYSA-N 393.940 2.931 0 1 GFAF CC[C@@H](NC(=O)c1cc(C(=O)N2C[C@H]3C[C@@H]3C2)n2c1COCC2)c1ccccc1 146138432 SROGUBHYXATGDY-ZHALLVOQSA-N 393.487 2.991 0 1 GFAF C[C@@H](O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 147622994 AHXOZVYYRPXHSG-CYBMUJFWSA-N 387.457 2.671 0 1 GFAF COC(=O)C1=CCC[C@H]2[C@@]1(CO)CC[C@@H](C)[C@]2(C)CC[C@H]1C(=O)O[C@@H]2O[C@@H]21 238746342 PJEIFIYMLSWXAP-GEQRSZAKSA-N 378.465 2.589 0 1 GFAF CO[C@@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)C[C@H]2OC(=O)[C@@]4(C)C(=O)CC[C@@]3(C)[C@@H]24)CO1 238781113 MMALGGPAFYVCCV-VOOSCRNSSA-N 378.465 2.624 0 1 GFAF Oc1nc(O)c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586983983 FNDFDRRJIYORQR-GFCCVEGCSA-N 390.241 2.712 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120854 XMIMVBOLOWDSFD-UHFFFAOYSA-N 381.339 2.772 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CN(S(=O)(=O)c4ccccc4)C3)C1)O2 587408100 FGSXDMYVQYZVRQ-UHFFFAOYSA-N 398.484 2.766 0 1 GFAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N(C)CC(=O)OCC)nc1)CC2=O 587466584 AIQANFIFALPXAC-SFHVURJKSA-N 399.447 2.841 0 1 GFAF COC(=O)C(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587807586 LXQKFCQNZOCRRP-LTHLMHMASA-N 384.245 2.860 0 1 GFAF Cc1ccnc2c1CCN[C@@]21CCN(C(=O)OC(C)(C)C)C[C@@H]1CCCO 963069309 DGQDTGMDYCZRHS-HRAATJIYSA-N 375.513 2.761 0 1 GFAF COc1cc2c(c(OC)c1)C[C@@H]1c3cc4c(cc3C[C@@H](C(=O)O)N1C2)OCO4 1857605398 ILXIEWBFOCVCTR-SJORKVTESA-N 383.400 2.541 0 1 GFAF CCNC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccc(OC)cc1)c1ccccc1O2 2356317748 PSLMFOOIBJGWRT-MJGOQNOKSA-N 395.459 2.793 0 1 GFAF CN(CCc1ccccc1)CC[C@@H]1CC[C@@H](O)[C@H](C(=O)NC2CCCCC2)O1 2356809701 ASECAGMAWJCWNQ-BHDDXSALSA-N 388.552 2.908 0 1 GFAF CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 2469315 QZHQZIQMDAHUCK-SFTDATJTSA-N 390.487 2.756 0 1 GFAF CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCc2ccc(OC)cc2OC)C1=O 2934183 JBGNIQUJTSLKSU-SFHVURJKSA-N 398.459 2.833 0 1 GFAF CC[C@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(F)c(Cl)cc3nc2-1 26653726 AIQUPMNPTPBKBL-HXUWFJFHSA-N 384.794 2.941 0 1 GFAF CC[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(CC(=O)O)cc1 27630594 FSGZUUBFTYAIOW-PXNSSMCTSA-N 382.416 2.797 0 1 GFAF CCOC(=O)C1=C2c3ccccc3[C@@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@H]23 29334881 RFOSKYASXJOWGG-QFBILLFUSA-N 375.472 2.830 0 1 GFAF COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)NC(C)(C)C 66258399 WFCULOGZTZVHRD-INIZCTEOSA-N 393.484 2.722 0 1 GFAF O=S1(=O)N(CC[C@@H]2CNCCO2)c2cc(F)ccc2N1c1ccccc1F 72120641 VOAKSCZKUWRXKS-CQSZACIVSA-N 395.431 2.546 0 1 GFAF NCCOCCNC(=O)c1ccc([C@H]2CC[C@H](c3ccccc3)C[C@H]2O)cc1 96086550 UWDDUVCTGLMPMN-BHDDXSALSA-N 382.504 2.804 0 1 GFAF in-vitro O[C@@H]1CCN(c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)C1 146197616 PGUZAYBNKSHWFJ-MCIONIFRSA-N 383.477 2.679 0 1 GFAF CC(=O)[C@H](C)N(CC(F)(F)F)C1=C[C@H]2C(C(F)(F)F)=CC(=O)N[C@H]2C=C1 195194797 FZELBRBDZPJUMZ-QWRKXWFKSA-N 382.304 2.885 0 1 GFAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccnn3)c2)CC1 210677803 PUTLYJJKWRSULY-UHFFFAOYSA-N 395.507 2.856 0 1 GFAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(C)nccc4[nH]3)c2)o1 586923474 MMWIOHWJYBIGTN-UHFFFAOYSA-N 383.433 2.853 0 1 GFAF O=C(CCc1nc2cccc(C(=O)O)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024081 NHKMBOIHSHOCPQ-UHFFFAOYSA-N 394.416 2.746 0 1 GFAF O=S(=O)(c1ncccc1-c1nc2cc3[nH]c(O)nc3cc2[nH]1)C(F)(F)F 587127612 ZMJHHWSGPJEMIE-UHFFFAOYSA-N 383.311 2.500 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398552 FHPMKLFLBIYDHY-OAQYLSRUSA-N 383.400 2.579 0 1 GFAF CN(C)S(=O)(=O)c1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874903 FGDFMIFYVBFAJV-UHFFFAOYSA-N 387.392 2.734 0 1 GFAF CCc1cc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)n[nH]1 963147094 NWJYYKCIDJAHAF-CHWSQXEVSA-N 378.454 2.764 0 1 GFAF N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=NC(=O)c4ccccc4)c3c2)C1 1857636285 IGNWRSHPCXAJBO-HUUCEWRRSA-N 377.448 2.693 0 1 GFAF O=C(c1ccc(Cl)cc1)N1CCC(=O)N([C@@H](CO)Cc2ccccc2)CC1 13111149 ZDIZYVZZPNDXIU-LJQANCHMSA-N 386.879 2.618 0 3 GFAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1cc(OC)ccc1Br 61927191 XYUHJOGXQXKTHR-KRWDZBQOSA-N 383.286 2.979 0 3 GFAF Cn1cncc1/C=C\CNC(=O)c1cc(Br)c(Br)[nH]1 209981513 MIGOKRSEXJTUCD-IHWYPQMZSA-N 388.063 2.716 0 3 GFAF Cn1c(=O)cc(SCC(=O)NCCCN2CCCC2)c2ccc(Cl)cc21 5008517 HTPFVUMEDQKBRQ-UHFFFAOYSA-N 393.940 2.886 0 1 GFAF CC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCCO3)OCCO4 27851631 KXDJXTGNHSILFD-ROUUACIJSA-N 379.412 2.972 0 1 GFAF CC(C)[C@@H](N)C(=O)NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 27878243 STPXTKFTNZXSJF-GOSISDBHSA-N 387.867 2.609 0 1 GFAF COCc1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 28711431 KWLWZXFSQVDMNK-INIZCTEOSA-N 383.383 2.651 0 1 GFAF Cc1nc2c3c(c(C(=O)N4CC(O)C4)cn2c1C)CC[C@H](c1ccccc1)O3 28867182 CYKFSLPDOQGOQR-LJQANCHMSA-N 377.444 2.834 0 1 GFAF CNC(=O)c1coc([C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 29217074 XRRNUAXUYMWVSW-RUENVJTFSA-N 384.432 2.555 0 1 GFAF CN(C)CCOc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12 40936829 AVZWCYTVUMJYQE-UHFFFAOYSA-N 391.519 2.989 0 1 GFAF C[C@H](N)C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)N[C@H]1CCCc2ccccc21 45245310 PBFOTDPMLSLTEY-GLQYFDAESA-N 384.505 2.652 0 1 GFAF CCN1CCCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 58575450 ZFBMBXBBBNQNIN-NRFANRHFSA-N 394.498 2.978 0 1 GFAF CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 71277204 SBKCMPYJNSYKTG-UHFFFAOYSA-N 382.445 2.772 0 1 GFAF CN(C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1)C(=O)C1CC1 95895275 CRBZDISXGSFFME-HKBOAZHASA-N 378.472 2.524 0 1 GFAF COc1ncc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1 96168839 ZRGJKCOWOSXPEV-UHFFFAOYSA-N 386.415 2.758 0 1 GFAF Cc1ccc(-c2noc([C@@H]3C[C@@H]3O)n2)cc1NC(=O)c1cnc2ccccn12 206107530 VVYKXEVSEJUERS-CJNGLKHVSA-N 375.388 2.793 0 1 GFAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CN3CCCC3)c2F)cn1 224554714 OSFXOWAGRCEHBU-OAHLLOKOSA-N 386.471 2.968 0 1 GFAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2C[C@H]3CC[C@H]2C3)cc1F 261083614 CDOTYXYWRXPXRN-GARJFASQSA-N 375.849 2.984 0 1 GFAF O=C1OCC2=C1[C@@]1(C(=O)Nc3ccc(F)cc31)c1c(-c3ccccc3)n[nH]c1N2 299864382 MJCRAGKJRCNSDV-OAQYLSRUSA-N 388.358 2.690 0 1 GFAF CNS(=O)(=O)c1cc(-c2nc3c(C)cc(Br)cc3[nH]2)n(C)c1 586947066 JTVZCMKCIQPSMF-UHFFFAOYSA-N 383.271 2.547 0 1 GFAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(N)c(N)cc2[nH]1 586979762 AIJLSTIINPNKFJ-UHFFFAOYSA-N 391.225 2.890 0 1 GFAF COC(=O)c1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cn1 587029462 PAPNTJIFIHELBA-UHFFFAOYSA-N 381.417 2.894 0 1 GFAF O=C(O)c1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1F 587163529 LVBWJSLUUXIYDJ-UHFFFAOYSA-N 384.342 2.817 0 1 GFAF N[C@@H](Cc1ccc(I)cc1)c1nc2nc(Cl)c[nH]c-2n1 587183656 GAMIOGBIUDPOOG-VIFPVBQESA-N 399.623 2.805 0 1 GFAF N[C@H](Cc1ccc(I)cc1)c1nc2ccnc(O)c2[nH]1 587186313 VIXUELGNOIOGEW-SNVBAGLBSA-N 380.189 2.511 0 1 GFAF COC(=O)c1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cn1 587234834 XJEAZPAZSXISLO-UHFFFAOYSA-N 388.424 2.608 0 1 GFAF CC(C)COc1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2cc1Br 587259174 HLHHEUHCBSJOID-NSHDSACASA-N 398.305 2.809 0 1 GFAF Cc1nsc(N)c1[C@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962630085 JLMAUSCEMBNLQE-VFZGTOFNSA-N 387.383 2.795 0 1 GFAF NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1cnc2ccccc2c1 1857576116 YFJBUGZNZNCXBS-UHFFFAOYSA-N 384.439 2.573 0 1 GFAF COc1ccc(Cl)cc1OC1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 1857649778 USCDUCKPLVZLPN-UHFFFAOYSA-N 397.836 2.529 0 1 GFAF CO[C@@H]1C[C@]2(C(=O)Nc3cc(O)ccc32)[C@@H](c2c[nH]c3ccccc23)[C@H](CO)O1 2356396583 PACWVIDGUPOUPQ-BPBCIEFSSA-N 394.427 2.601 0 1 GFAF CO[C@@H](CN)c1cc(Br)c(OCCCN)c(Br)c1 2356799267 UFVCDVMHSXMFPW-NSHDSACASA-N 382.096 2.585 0 1 GFAF CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCCC1=O 13862041 NMNAOJJBVJBYML-GJZGRUSLSA-N 388.489 2.520 0 1 GFAF COc1cc2c(c3oc(=O)ccc13)[C@H](O)[C@H](OC(=O)CC(C)C)C(C)(C)O2 15263500 KULKFALUVSLOHX-HKUYNNGSSA-N 376.405 2.964 0 1 GFAF endogenous,in-man CN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(=O)NC1CCCC1 95871796 WDNBJCSFHKNLMI-YPAWHYETSA-N 394.519 2.749 0 1 GFAF Cn1cc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)nn1 96170144 HWTNESSQGHTBLA-UHFFFAOYSA-N 393.834 2.703 0 1 GFAF C=c1c(C)c(O)/c(=C(/c2cccnc2)c2cccc(CCC(=O)O)c2)c(C)c1O 169712490 SGRMZAPFLWYHKS-QURGRASLSA-N 389.451 2.784 0 1 GFAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 274044387 OUJKZJHAKNWDAW-SFHVURJKSA-N 398.488 2.513 0 1 GFAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)C3CCOCC3)nc2c1 586912932 HWGVUDQQRCUCPE-CQSZACIVSA-N 383.242 2.962 0 1 GFAF C[C@]1(CN2C(=O)CCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339856 FXHIMELGGURKBS-TZIWHRDSSA-N 383.375 2.798 0 1 GFAF CCOC(=O)[C@H]1CCc2ccncc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587436384 PQFYHEMLMPNKEB-XCGNWRKASA-N 379.412 2.859 0 1 GFAF C[C@]1(c2cnc(C(=O)O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585791 GHHXUMWZFOLDPH-OXQOHEQNSA-N 378.340 2.757 0 1 GFAF COc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587807143 JWPFMOLAEXWLOJ-YPMLDQLKSA-N 396.256 2.685 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN[C@H]1CCCN(Cc2ccccc2F)C1 1772608603 LZRNHXMMGNXXOA-KRWDZBQOSA-N 381.451 2.676 0 1 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2C1CCOCC1 1911579446 CJMOVRAKMKTAAV-UHFFFAOYSA-N 380.330 2.966 0 1 GFAF O[C@H]1[C@H](n2cc(-c3ccccc3)cn2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccccc1F 2356298181 ZRFIJLSFTZPRMZ-CTWRKMMKSA-N 395.434 2.505 0 1 GFAF CCCCCCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 2356322615 SFMYFMMHHYMGPT-NCYKPQTJSA-N 384.524 2.609 0 1 GFAF CCOCC(C)(C)[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)O 2356343687 UJFDLBWYYFZXDS-PBWTXFEYSA-N 382.497 2.734 0 1 GFAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356809409 AQOHYPOMPKWKAD-RCCFBDPRSA-N 378.513 2.835 0 1 GFAF CCN(CCn1cccn1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1 12002647 FKAWFPGCZVEDNV-UHFFFAOYSA-N 376.363 2.891 0 3 GFAF Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CN1CCCC1=O 15063415 DRQVXJYSFBISMW-KRWDZBQOSA-N 380.492 2.933 0 3 GFAF Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 3814947 SNJHJFBATIFPBS-UHFFFAOYSA-N 377.235 2.967 0 1 GFAF Cc1ccccc1-c1nc(C[S@@](=O)CC(=O)NCc2ccccn2)c(C)o1 4924736 GAOLHYLDRQIVHW-MHZLTWQESA-N 383.473 2.919 0 3 GFAF COc1cccc(SCc2noc(C(=O)NC[C@H]3CCCO3)c2C(=O)O)c1 8672426 YGCQXDTYJWYMEK-GFCCVEGCSA-N 392.433 2.583 0 3 GFAF CC(C)(O)[C@@H]1Cc2cc(C[C@@H]3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1 2356789585 DLXKJAGJQUQBCR-ROUUACIJSA-N 382.412 2.904 0 1 GFAF COc1ccc(CS(=O)(=O)CC(=O)Nc2c(C)cc(C)cc2C)cc1N 71341811 ZLPQNUNRDLULBZ-UHFFFAOYSA-N 376.478 2.756 0 1 GFAF NCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2cccc(F)c2)C1 72107275 PWIIEWHGBYAIML-UHFFFAOYSA-N 383.402 2.873 0 1 GFAF COc1nn(CC2CC2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 1911585722 LQXQJYORBQEGAD-UHFFFAOYSA-N 381.440 2.788 0 1 GFAF Cc1cc2oc3c(O)nc(CN4CC[C@H](O)C4)nc3c2cc1Br 84669517 CGLCQOJIDHILHH-VIFPVBQESA-N 378.226 2.719 0 1 GFAF COc1cc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c(F)cn1 220720106 FAPBBHHBSSJFBQ-NRFANRHFSA-N 399.422 2.624 0 1 GFAF O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 95893725 MOBRGTMAJNQPCB-PWRODBHTSA-N 391.471 2.588 0 1 GFAF Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5N)n4)CCC3)cn2)cn1 96175510 ORVXSERDLUYTQK-UHFFFAOYSA-N 386.419 2.618 0 1 GFAF COc1ccc(S(=O)(=O)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586920177 FTYNYTRFTGSLPH-UHFFFAOYSA-N 386.408 2.870 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(C(=N)N)cc4[nH]3)cc12 587039512 YGTBNMRCEYQLQX-SECBINFHSA-N 381.465 2.595 0 1 GFAF O=C(O)c1ccc(C(=O)N2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)cc1 1772577988 UTIKPDGOOMILJL-UHFFFAOYSA-N 391.427 2.901 0 1 GFAF Cn1cc(C2=C(c3cn(C)c4cc(C(=O)O)ccc34)C(=O)NC2=O)c2ccccc21 13447782 BQVYRVFEBOGTBZ-UHFFFAOYSA-N 399.406 2.935 0 1 GFAF CCOC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3C)c(N)n2)CC1 14950257 KKFAWSRIYBKLKA-UHFFFAOYSA-N 383.452 2.631 0 1 GFAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Oc1cccc2cccnc12 169309616 JNZQRBWGCFZPOE-ILRNBGBRSA-N 388.423 2.583 0 1 GFAF COc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 169686038 DFMVDXRXZFVYQK-UONOGXRCSA-N 399.453 2.764 0 1 GFAF Cc1ccccc1N1CCN(S(=O)(=O)CSCc2c(C)noc2C)CC1 1857538940 FMUHNCJGLSRVDD-UHFFFAOYSA-N 395.550 2.943 0 1 GFAF O=S1(=O)[C@H](F)CCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 149599372 WSUPOQYBRDIAEB-UGSOOPFHSA-N 398.406 2.765 0 1 GFAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@]3(O)CO 2356366958 TUTOSPSPBZUUEE-PPUJWOGTSA-N 378.509 2.577 0 1 GFAF COc1ccc2[nH]cc(C(=O)CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 104210877 DIBXVFCFCQWWDD-GJZGRUSLSA-N 377.444 2.640 0 1 GFAF CCCc1csc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1 28101582 XIZQFHCTIWWIGC-UHFFFAOYSA-N 379.463 2.595 0 1 GFAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N[C@H](Cc1ccc(O)cc1)C(=O)O 64637951 RKAXPZDQSWHDEN-IUJZCMLBSA-N 381.384 2.502 0 1 GFAF C[C@H](N)[C@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113653145 WPAYADJKYDLWGP-STQMWFEESA-N 384.871 2.809 0 1 GFAF CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@@H]1C(=O)NCC1CCCCC1 2356536556 XGNBKMKOEVFVQW-WOJBJXKFSA-N 387.524 2.643 0 1 GFAF CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@H]2CN(C3CCCCC3)CCN21 2356610021 SCIKGCNJOOTLKA-LJQANCHMSA-N 391.581 2.788 0 1 GFAF CCOC1=C(c2ccc(O)cc2)[C@](Cc2ccc(O)cc2)(C(=O)OC)OC1=O 2356717973 ZKPLXHLJGTUBJR-OAQYLSRUSA-N 384.384 2.557 0 1 GFAF COc1ccc2c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cccc2c1C(F)(F)F 28381157 YFPLXDGMOLVJNL-LBPRGKRZSA-N 399.321 2.915 0 1 GFAF CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NC2CC2)C1 61921538 ASWXJHUUFVETPX-SFHVURJKSA-N 397.519 2.846 0 3 GFAF O=C1COc2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2N1 38896689 RAKPJSOFWXNMNH-UHFFFAOYSA-N 388.471 2.930 0 1 GFAF CN(C)CCNC(=O)[C@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 45367105 ALJLJCWXUSHXHE-LJQANCHMSA-N 396.516 2.983 0 1 GFAF COC1=CC[C@H]2N=C(NC(=O)Nc3ccc(N4CCOCC4)cc3)SC2=C1 40575433 AUEJRJQJFKETIL-MRXNPFEDSA-N 386.477 2.934 0 1 GFAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(Cl)cc2)n1 146995179 YFVSCTVWQLLOGQ-GOSISDBHSA-N 383.839 2.834 0 1 GFAF COc1ccccc1N1CCN(CCCCn2cc(-c3cccnc3)nn2)CC1 96284795 HUFKKUQWYKMUNC-UHFFFAOYSA-N 392.507 2.951 0 1 GFAF O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)Nc1ccc(-c2ccccc2)cc1 95887739 UTTUQCGEIXLGEI-YSFYHYPLSA-N 396.487 2.579 0 1 GFAF CCOC(=O)CCOCCCOCCc1nc2ccc(C(=O)OCC)cc2[nH]1 587566796 BDSVWORQJREGSD-UHFFFAOYSA-N 392.452 2.659 0 1 GFAF O=C(Cc1ccccc1)NCCc1nc2c(F)cnc(Br)c2[nH]1 587228951 URTMQWOLPBZFIV-UHFFFAOYSA-N 377.217 2.761 0 1 GFAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](Cc3nc4cccnc4[nH]3)N12 962656737 BAYIJLDQGGFOAL-HTAPYJJXSA-N 387.443 2.889 0 1 GFAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc(CO)o1 963140252 JSOHAEVKYGIZPU-DGCLKSJQSA-N 380.422 2.564 0 1 GFAF COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCCC2)c1 11663179 JIZCOJWOXYUVCL-FQEVSTJZSA-N 387.524 2.615 0 3 GFAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](CO)[C@@H]2CO)cc1OC 4782967 LTMZRNBMJLXRNY-YHEJKZAPSA-N 388.460 2.626 0 1 GFAF biogenic,in-vitro CC(=O)N1c2ccccc2C[C@@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 8607361 DEJNRSDFNDWNIJ-JOCHJYFZSA-N 377.488 2.930 0 1 GFAF COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1)C(C)C 13534680 XUACSMCLVIHIAC-SFHVURJKSA-N 377.462 2.838 0 1 GFAF OCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1 14968099 FEQNEXSELHWMTI-UHFFFAOYSA-N 392.463 2.992 0 1 GFAF C[C@H](NC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(=O)O 28474742 QGPCINKYBMXWEQ-KSFYIVLOSA-N 396.443 2.600 0 1 GFAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc(-c3ncccn3)no2)CC1 43024635 DIYUAKHOKKCOEE-SJORKVTESA-N 390.447 2.972 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OC[C@@H]2CCCN2C)co1 82073477 MTRJEOYDZHOHHM-QFBILLFUSA-N 397.475 2.892 0 1 GFAF CN(CCCc1ccccc1)Cc1cn(C[C@H](O)COCc2ccccc2)nn1 82156959 AVTMKKUVLLHTMQ-QHCPKHFHSA-N 394.519 2.920 0 1 GFAF Cn1cc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(N)=O)n2)cn1 84687549 TWTUUCKVMANLPL-UHFFFAOYSA-N 377.330 2.815 0 1 GFAF c1cc2nc(c1)CNCCN(CCNCc1cccc3ccccc13)CCNC2 95591960 VZTHJOQCORJUSI-UHFFFAOYSA-N 389.547 2.519 0 1 GFAF COc1ccccc1NC(=O)[C@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F 103194300 BGDYQJJNXCYSBL-CQSZACIVSA-N 385.317 2.890 0 1 GFAF Cc1cc(NC(=O)N2CCN(C)CC2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 261185490 XIGBTIXFXCZLOP-QUCCMNQESA-N 385.556 2.837 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c12 587058707 IJPSWYCPLXHNQO-ZDUSSCGKSA-N 378.885 2.709 0 1 GFAF COC(=O)c1ccnc2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc12 587093518 FTEPOAOXRPLVBA-AWEZNQCLSA-N 386.355 2.502 0 1 GFAF COc1cc(C)ccc1OCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587564214 GJBSCXSOPOOMPM-UHFFFAOYSA-N 375.450 2.709 0 1 GFAF CN1CCN(c2ccccc2[C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)CC1 963038756 ZVBGSRPAAISTMJ-WAIKUNEKSA-N 376.504 2.581 0 1 GFAF COC(=O)[C@H](C)Oc1ccc([C@H]2NCCc3c(C(=O)O)cccc32)cc1OC 963129989 HTCRWNZTFFZMCX-HXPMCKFVSA-N 385.416 2.569 0 1 GFAF CC(C)CC=CC=CC(=O)N(CCO)c1cc(CCC(=O)O)c(O)cc1O 2356335398 YZXFOWJHEPOBBN-UHFFFAOYSA-N 377.437 2.599 0 1 GFAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)C[C@@H]2OC(=O)[C@]4(C)CCC[C@@]3(C)[C@H]24)C(=O)O1 2356588272 NTKKRFQRYGKWKB-KSVBPFQFSA-N 378.465 2.972 0 1 GFAF O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4049736 YECZYMVOMYFBFZ-IFMALSPDSA-N 391.471 2.907 0 1 GFAF COc1ccc(CC(=O)N[C@@H](C)c2onc(-c3cccnc3)c2C(=O)O)cc1 2356300109 UDGJVTYHTQQSTQ-LBPRGKRZSA-N 381.388 2.863 0 1 GFAF O=C(O)CCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 66251965 IAPWTUAPWADMCH-UHFFFAOYSA-N 399.491 2.730 0 1 GFAF CC1CCC(NC(=O)CN2C(=O)[C@@H]3CCCN3c3ncc(Cl)cc32)CC1 20465170 IFTGTOYRNNATML-ZALBZXLWSA-N 376.888 2.745 0 3 GFAF aggregator CC(=O)NCCNc1nc2cc(-c3ccc4c(ccn4C)c3)sc2c(=O)n1C 61926786 NCPOATQUSBQSFN-UHFFFAOYSA-N 395.488 2.702 0 3 GFAF O=C1C[C@@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(c2ccccc2)CC1 64417407 XFNNCQQSCAZKEO-DEOSSOPVSA-N 389.499 2.700 0 1 GFAF Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1 28388794 HFRUDMQWRWCIRG-LJQANCHMSA-N 385.895 2.769 0 1 GFAF C[C@H]1CNC(c2ccc(-c3nnc(-c4ccc(C5=N[C@H](C)CN5)cc4)o3)cc2)=N1 27651714 JEJDYPYCWLLMFV-OKILXGFUSA-N 386.459 2.880 0 1 GFAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc4[nH]ccc4c3)CC1)C2 68248921 WFMWDGUOCLWPNZ-UHFFFAOYSA-N 388.471 2.887 0 1 GFAF CCOc1cc([C@H](CC(=O)OC)N2C(=O)c3ccccc3C2=O)ccc1OC 26637671 LKZVGVHQSZSUFD-INIZCTEOSA-N 383.400 2.994 0 1 GFAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N3CCNCC3)nc21 38625764 NIGHBORAEFSARV-UHFFFAOYSA-N 390.274 2.712 0 1 GFAF COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(O)c1OC 15271627 WTTGIVJDHDPLCL-UHFFFAOYSA-N 390.344 2.611 0 1 GFAF biogenic COC1=C[C@]2(Oc3ccc(-c4ccccc4C=O)cc3C2=O)C(OC)=C[C@H]1O 73195620 DWTJNZYUOJMNHW-VGSWGCGISA-N 378.380 2.915 0 1 GFAF CCc1nc2ccccc2c(=O)n1CCCNC(=O)C1=CC(C)(C)NC1(C)C 40466950 PZDUYAKJADSRGR-UHFFFAOYSA-N 382.508 2.552 0 1 GFAF CN1C[C@@H]2C[C@H]1CN2Cc1nc(O)c2oc3ccc(Br)cc3c2n1 84713478 UQQRRLPBVIAHKF-QWRGUYRKSA-N 389.253 2.732 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CNC(=O)C1CC1 95895080 BLSCEVGOPDFIED-BDTNDASRSA-N 396.462 2.694 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)c2ccccc2)C3)cc1 95667988 KJSMTYFUTMFWLU-QAQQIRGBSA-N 390.483 2.921 0 1 GFAF NC(=O)c1cc(I)ccc1NC(=O)CCc1ccccc1 96923731 LIWFXFAWCAUFBU-UHFFFAOYSA-N 394.212 2.961 0 1 GFAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)Nc2ccc(F)c(F)c2)CC1 261092447 DRQXWCARABZCPQ-MKBNYLNASA-N 398.479 2.505 0 1 GFAF C=CS(=O)(=O)N[C@@H]1CC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 618018377 ZRXYTMIJBUYZEW-CMPLNLGQSA-N 378.372 2.755 0 1 GFAF Cn1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580021 GUFNFEHLEUZFCU-NQIIRXRSSA-N 394.383 2.848 0 1 GFAF CC(=O)N1CCN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)CC1 587398353 FEKAQQOEYSRDGI-NRFANRHFSA-N 379.460 2.952 0 1 GFAF COC(=O)CCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587755897 BKPNBLUYCBBYOQ-BMLIUANNSA-N 396.260 2.971 0 1 GFAF CO[C@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC1 587952444 QVTLVNYLDFAJMI-WLYUNCDWSA-N 395.525 2.891 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CN[C@H](C(=O)O)[C@@H]32)N1 587794408 MOLXFCBHTUDALH-QTLFCIFUSA-N 397.288 2.790 0 1 GFAF CCOC(=O)[C@H](C(=S)Nc1ccccc1)c1nn2c(=O)cc(C)nc2s1 5830930 GVVIGULNRXKJEI-CYBMUJFWSA-N 388.474 2.546 0 1 GFAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CCN(c2ncccn2)CC1)CCC3 13473697 BYXJWMSTONFNEX-HSZRJFAPSA-N 391.519 2.995 0 1 GFAF CC(C)CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O 13676861 VSQRJMWTEZXIBW-RAXVHSSMSA-N 382.464 2.805 0 1 GFAF CN1Cc2cc(OCCCNc3ccccn3)ccc2C[C@H](CC(=O)O)C1=O 13803541 QEVFARCJUDGBHM-MRXNPFEDSA-N 383.448 2.568 0 1 GFAF CCCCCCc1cnnn1C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 169325252 AKKFBLCCKXNJLO-IBGZPJMESA-N 390.438 2.859 0 1 GFAF Cc1cncc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)n1 205264527 ADHFWXANXDIZPQ-UHFFFAOYSA-N 386.463 2.585 0 1 GFAF CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCCN1CCCC1 5415343 KHRUDXLIPJVXEU-HKUYNNGSSA-N 389.515 2.916 0 1 GFAF biogenic Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccn4n3)CC2)nc1 64539648 OITJZSADIJHEIJ-UHFFFAOYSA-N 381.455 2.772 0 1 GFAF Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cccnc4)cn23)n1 95555621 TVEHRMCNBMAAEH-UHFFFAOYSA-N 384.407 2.606 0 1 GFAF Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccnc2)c2c(N)ncnc21 96285839 LIALAVDKTOKTGT-UHFFFAOYSA-N 384.443 2.744 0 1 GFAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)Nc2ccc(F)c(F)c2)CC1 103225846 DRQXWCARABZCPQ-OZVIIMIRSA-N 398.479 2.505 0 1 GFAF Cc1nc(-c2cnccn2)sc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 117721431 RWYDLOSLSOYPTC-MRXNPFEDSA-N 381.461 2.822 0 1 GFAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]12C[C@H]1[C@@H](N=O)c1ccccc1O2 169716585 MZNKZHJGVLNPEC-HPNQWNLUSA-N 380.400 2.546 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1CCC[C@H](O)C1 222368565 SKLNJZRVHSSOOX-KBPBESRZSA-N 391.475 2.935 0 1 GFAF Cn1cc([C@@H]2NC(=O)N[C@@H](c3ccc(C(=O)O)c(O)c3)[C@H]2c2ccsc2)cn1 230464727 KQQKKFDAXNYXTL-IKGGRYGDSA-N 398.444 2.764 0 1 GFAF CO[C@@H]1[C@]2(C)[C@H](CC[C@H](OC(=O)/C=C/SC)[C@@H]2C)C[C@]23OC(=O)[C@@H](C)[C@@]12O3 257554932 ULNGGZOBSDELFB-ZRTKQWECSA-N 396.505 2.904 0 1 GFAF endogenous,in-man C[S@](=O)c1cccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)c1 299840351 VDBLETSPPGYFNZ-MHZLTWQESA-N 376.441 2.900 0 1 GFAF O=C1OCCN1c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)SC(=O)N32)cn1 299865440 NUETVBQFCMPASY-HOCLYGCPSA-N 399.428 2.500 0 1 GFAF Cc1ccnc2[nH]c(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 586942679 OOMMWAHKUPVCSU-UHFFFAOYSA-N 395.488 2.964 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587232256 VBHPXZGWXSRJLS-QWRGUYRKSA-N 381.379 2.921 0 1 GFAF CC1=C(C(=O)n2ncc3ccc(Cl)cc3c2=O)N2C=C(Cl)C=C[C@@H]2N1 587651615 NDHJWVMMEHCXPL-CQSZACIVSA-N 375.215 2.803 0 1 GFAF COC(=O)c1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774805 XYERSUXGAJTRSS-ANRSDYALSA-N 380.217 2.788 0 1 GFAF COC[C@@]1(C2CCOCC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962646088 SVEJREOABQBRGZ-FGZHOGPDSA-N 384.476 2.602 0 1 GFAF Cc1ccc(-c2cc(C(=O)N[C@@H](Cn3ccnc3)C(=O)OCC(C)C)no2)cc1 1857638125 RJEYULGKUZWCRC-SFHVURJKSA-N 396.447 2.844 0 1 GFAF CCN(CC)C(=O)[C@@H]1CCC[C@H](NCc2cccc(OC)c2)CN(C)C(=O)C1 2356532295 VSUQLSPFBKRGHL-MOPGFXCFSA-N 389.540 2.670 0 1 GFAF Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NC[C@H]2CCCO2)c1 3021864 AEAQEVRCCRGAIP-OAHLLOKOSA-N 392.452 2.844 0 3 GFAF COc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ncn1 26832226 FIVJLNKBKANKAC-UHFFFAOYSA-N 397.454 2.877 0 1 GFAF COc1cccc(CN2C[C@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)n1 2356299704 MQWMCXSFLICQCO-MJGOQNOKSA-N 379.460 2.869 0 1 GFAF O=C(NC[C@@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1cccnc1 2356299708 MWGGZUDNQVWDGK-CYBMUJFWSA-N 376.338 2.951 0 1 GFAF CCNC[C@H]1CCN(c2cc3c(c(C)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27546678 IJLKQVXVFIOGRG-CYBMUJFWSA-N 387.455 2.918 0 1 GFAF CCOP(=O)(CC/C=C/Cn1cc(Br)c(=O)[nH]c1=O)OCC 66112287 ZQCQJWKYMNQOTN-AATRIKPKSA-N 395.190 2.512 0 1 GFAF CCC=C[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 2356497732 XNUWGEPKIOWLHQ-WOXXVCHASA-N 385.460 2.866 0 1 GFAF CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC=C2[C@H](O)[C@H]4C[C@@]23CC[C@]4(O)CO)O1 2356669118 NHENUBLRIYVVBQ-IQMZSUMESA-N 392.536 2.775 0 1 GFAF O=S(=O)(c1cccc(C(F)(F)F)c1)N1Cc2ccccc2-n2nncc2C1 61924091 HOVQBLJTLAXUNZ-UHFFFAOYSA-N 394.378 2.991 0 3 GFAF c1cncc(CNc2cn[nH]c2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 33747543 VRPDPRKTZZRHJN-UHFFFAOYSA-N 391.391 2.982 0 1 GFAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(nnn2-c2ncccn2)C1 218452470 WRWQBLDTEKJZRA-UHFFFAOYSA-N 375.219 2.563 0 1 GFAF NC(=O)COc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3 40424378 KRZFDBFJUUOCIA-AKIFATBCSA-N 384.520 2.524 0 1 GFAF COc1cccc(O)c1[C@H]1CC(=O)c2c(O)c(OC)c(OC)c(OC)c2O1 14436316 HFSWKRNFAVJHID-GFCCVEGCSA-N 376.361 2.839 0 1 GFAF biogenic CCCC(CCC)Cc1cc(C(=O)O)ccc1N1C(=O)CCC1(CO)CO 84654129 JUNSSTMPEDFKOL-UHFFFAOYSA-N 377.481 2.994 0 1 GFAF CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cc(F)ccc1F 95794190 DZLXCEINTWUENV-CTNGQTDRSA-N 386.442 2.916 0 1 GFAF CC[C@@H](NC(=O)c1cc(C(=O)N[C@@H](C)COC)n2c1COCC2)c1ccccc1 143929507 WVOYBNIXHDYGAY-MAUKXSAKSA-N 399.491 2.664 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(=O)c3ccccn3)N(C(C)=O)[C@H]2CO)cc1 95895049 WPXBDGFNEBLHLG-DXQGVRHBSA-N 393.487 2.562 0 1 GFAF COc1ccccc1COC(=O)[C@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@H]12 377814348 GYNABIOBELLOFX-GUYCJALGSA-N 387.803 2.769 0 1 GFAF O=C(O)[C@H]1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H]1C(=O)O 587971273 XVNWJPZRACJYNG-POBXSPIYSA-N 393.115 2.843 0 1 GFAF COC(=O)c1ccnc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 587132307 PXLMUIUPTJNOAH-JTQLQIEISA-N 382.367 2.714 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(N)(=O)=O)c2)N1 587842239 SZYWVTJHZFGIBE-FVMDXXJSSA-N 399.285 2.859 0 1 GFAF CNS(=O)(=O)c1cc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)n(C)c1 586947374 MZOKJXZPMXRALC-UHFFFAOYSA-N 397.298 2.856 0 1 GFAF CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@]21c2c(N)ccc3c2CCN1C3 962950074 DNKBSLKYQCNCMA-VFQRMCNGSA-N 385.508 2.786 0 1 GFAF COC(=O)C[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccc(OC)cc1)[C@@H]23 1772623732 UGQXFYNWAAKFAA-SFFNPBHPSA-N 386.492 2.573 0 1 GFAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NC(C)C)n[nH]c2-3)C(=O)O1 11524622 KHUIBZKLRCVCKU-INIZCTEOSA-N 397.479 2.847 0 1 GFAF C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)C[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 13386260 RRLBJDXMEHIJNG-HTLFLNNESA-N 392.835 2.605 0 1 GFAF biogenic CCOC(=O)c1cc2c(c(CCn3cnc4c3NC=NC[C@@H]4O)c1)CCCC2 13861944 CNOMRJLBANYXCZ-SFHVURJKSA-N 382.464 2.669 0 1 GFAF O=C(Nc1ccc2c(c1)OCCO2)[C@H]1c2ccccc2OCC(=O)N1C1CC1 169341626 MUFOOCARBZCJGC-HXUWFJFHSA-N 380.400 2.521 0 3 GFAF Cn1cc([C@@H]2NC(=O)N[C@H](c3ccc(C(=O)O)c(O)c3)[C@@H]2c2ccsc2)cn1 169688235 KQQKKFDAXNYXTL-BBWFWOEESA-N 398.444 2.764 0 1 GFAF C[C@@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 3822885 YIAOPCDGOMEIQS-UGPZEQBLSA-N 382.041 2.745 0 1 GFAF COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 4296301 XLHIEPGBHOTVPK-TZIWHRDSSA-N 396.443 2.654 0 1 GFAF C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]43C)[C@@]1(O)C[C@@H](O)[C@@H]2C1=CC(=O)OC1 6201623 PVAMXWLZJKTXFW-SYVRCQMOSA-N 390.520 2.575 0 1 GFAF COc1cccc(CNc2nc(N3CCC[C@@H]3CO)nc3c2ncn3C(C)C)c1 13834643 IRQMNWMHOGFYAZ-MRXNPFEDSA-N 396.495 2.989 0 1 GFAF CC[C@@H]1CN(C(=O)c2ccno2)CC[C@@H]1CC(=O)NCc1ccc2c(c1)OCO2 25430167 SAYWOXRQVRVECT-HZPDHXFCSA-N 399.447 2.598 0 1 GFAF biogenic C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211450 DRAPPTPDZQYOIV-ZDUSSCGKSA-N 396.422 2.502 0 1 GFAF CCCNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12 84619028 PCZBPVNRRYCYIT-UHFFFAOYSA-N 378.484 2.703 0 1 GFAF COc1ccc(C[C@@H]2CCc3cnnn3COC[C@H](CC(C)C)NC2=O)cc1 95898366 ICBLCJRQBGPVQK-ROUUACIJSA-N 386.496 2.597 0 1 GFAF COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@@H](CC(C)C)NC2=O)cc1 95898388 XBRFMSFVCPUMGC-ZWKOTPCHSA-N 386.496 2.597 0 1 GFAF OCC1CCN(c2nccnc2CC2CN(c3ccc4ccccc4n3)C2)CC1 96168729 JODVGFAOEDDNEO-UHFFFAOYSA-N 389.503 2.912 0 1 GFAF O=C1C(=O)N(c2ncccn2)[C@H](c2cccc(Cl)c2)[C@H]1C(=O)c1ccco1 110725006 DMPPKPOTCKPWDT-LSDHHAIUSA-N 381.775 2.879 0 1 GFAF N#Cc1ccccc1N1CCOc2cc(S(=O)(=O)Nc3ncns3)ccc21 205729963 OWAOZVCTSHPEAF-UHFFFAOYSA-N 399.457 2.741 0 1 GFAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)o1 586931529 WVYXYBITIFWCFS-UHFFFAOYSA-N 388.218 2.975 0 1 GFAF COc1cccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 586947369 XBGFXEIJBXDARA-CQSZACIVSA-N 387.461 2.696 0 1 GFAF CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3ccns3)c3ccccc13)C2 1772598191 IPOAGCXRVTXREY-HUUCEWRRSA-N 382.489 2.678 0 1 GFAF Cc1ccc(C2=C(c3ccc(Br)cc3)C(=O)OC2(CO)CO)cc1 1857648097 UUGBLYOVBYQORJ-UHFFFAOYSA-N 389.245 2.949 0 1 GFAF Cc1nc2n(n1)CCN(C(=O)CSc1ncnc3sc(C)c(Cl)c13)C2 1911576970 MIWDXZRGHPDDGZ-UHFFFAOYSA-N 394.913 2.688 0 1 GFAF CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 5070378 AMODCMJMLGQORR-SCTDSRPQSA-N 388.508 2.966 0 1 GFAF CC(=O)Nc1ccc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)nc1 13746127 ZNNNROZVKDIUCN-HHHXNRCGSA-N 383.477 2.600 0 1 GFAF CC(=O)OC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C[C@@H]3C[C@@]12CC[C@@]3(O)CO 17129195 SSEWIUPYEWEJEH-SGIOEENZSA-N 380.525 2.657 0 1 GFAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)C[C@@H]1O 26508697 NBDWJVSTDQLLBS-OFQRWUPVSA-N 380.876 2.860 0 1 GFAF O=C1N=C(O)C[C@@]12c1ccccc1S(=O)(=O)N2Cc1c(F)cccc1Cl 27521573 FPBKBRBNNMBBSU-QGZVFWFLSA-N 394.811 2.766 0 1 GFAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccccc2)O1 28974194 HGRLIODMXYZECK-LOKFHWFJSA-N 389.352 2.754 0 1 GFAF NCCCCNCCCCNCCCN1C(=O)c2cccc3cccc(c23)C1=O 40914076 GKLLCENCFPXHHJ-UHFFFAOYSA-N 396.535 2.524 0 1 GFAF CC(C)(CC(=O)NC1=C(C(=O)O)CCCC1)c1nc(-c2ccc(O)cn2)no1 49046774 HCDVHIWBTBWYFA-UHFFFAOYSA-N 386.408 2.534 0 1 GFAF O=C(O)c1cc(CN2CCC(c3ccc(F)nc3)CC2)c2ccccn2c1=O 66097679 PJTWHUNNIDIHOV-UHFFFAOYSA-N 381.407 2.911 0 1 GFAF CC/C=C/[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 72175900 XNUWGEPKIOWLHQ-KQYNXQAPSA-N 385.460 2.866 0 1 GFAF O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 95667864 NTBBKECDPCPBFR-DHIUTWEWSA-N 399.494 2.937 0 1 GFAF O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)Nc1ccc(-c2ccccc2)cc1 95887742 UTTUQCGEIXLGEI-KJJMTIBFSA-N 396.487 2.579 0 1 GFAF CCCSc1nc(NC)ncc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101550208 FZJGLFGFJINUAX-OXALQPNKSA-N 376.526 2.690 0 1 GFAF C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)C1 102836864 UAGNGANMRDBKCS-HZPDHXFCSA-N 395.507 2.726 0 1 GFAF COC(=O)C1=C[C@H]2C3=C(NCCCN)c4cc(Cl)ccc4N(C)C3=N[C@H]2C=C1 103186512 YAZIZQJCEBXNHK-ZBFHGGJFSA-N 398.894 2.505 0 1 GFAF O=C(CCc1n[nH]c2ccnc(NC3CCCCC3)c12)N1CCN(C2CC2)CC1 146713807 WRNPZGCADNYDDY-UHFFFAOYSA-N 396.539 2.942 0 1 GFAF COc1ccccc1/C=C1\CNC[C@H]2[C@H]1NC(=S)N[C@H]2c1ccccc1OC 169308426 LWWIMYKKFBLYLV-AAOVNNFKSA-N 395.528 2.894 0 1 GFAF Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)n1 211007545 OTCBQVWPAUVEEA-INIZCTEOSA-N 386.463 2.508 0 1 GFAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCc3ncco3)ccc1-2 220192922 QKKLFZIOKAQMDQ-INIZCTEOSA-N 395.415 2.591 0 1 GFAF CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586947115 SQZPDLTXXMHHFB-UHFFFAOYSA-N 385.276 2.958 0 1 GFAF O=C(NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1cscn1 587027511 FEOARXBCSMACGA-UHFFFAOYSA-N 377.298 2.999 0 1 GFAF Fc1cnc(Br)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc12 587127850 BYQCQWLKABEDBO-UHFFFAOYSA-N 384.119 2.902 0 1 GFAF O=C1C[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)CN1Cc1ccc(F)cc1F 587148608 IXQIXHMIYNTRJJ-JTQLQIEISA-N 383.358 2.939 0 1 GFAF COc1cc(OC)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c1 587170288 QICGKJJZFOYHPH-UHFFFAOYSA-N 379.413 2.540 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2COC[C@H]1CN(C(=O)OC(C)(C)C)C2 587400673 RDBYTJOHQZTSPK-ZIAGYGMSSA-N 388.464 2.795 0 1 GFAF CCOc1ccc2nc(NC(=O)Cc3ccc4c(O)nc(O)nc4n3)sc2c1 587564471 TUJWWOXOCPSCNM-UHFFFAOYSA-N 397.416 2.626 0 1 GFAF O=C1N[C@H](CSC23CC4CC(CC(C4)C2)C3)N[C@H]2C[C@H](C(=O)O)CC[C@H]12 618014391 NIWGRKFNYIWXJH-NFZIENKMSA-N 378.538 2.603 0 1 GFAF CC[C@@H](O)c1cc2nc(N3C[C@H](C)O[C@H](C)C3)nc(N3CCOCC3)c2s1 1772602746 WXVVFGUIATWAOJ-VNHYZAJKSA-N 392.525 2.585 0 1 GFAF N=C1NC(=N)N(OCCCOc2ccc(Cl)cc2)C2(CCSCC2)N1 1772611144 FNKAWFUAUQKBJJ-UHFFFAOYSA-N 383.905 2.628 0 1 GFAF C[C@]1(O)CCN(Cc2ccncc2F)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356289518 WSLRIAZONWXYQC-URVUXULASA-N 383.467 2.814 0 1 GFAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(C(=O)C3CCCC3)CCN21 2356303394 TVRYJPDYUSBLLW-HXUWFJFHSA-N 398.551 2.693 0 1 GFAF CC(=C[C@H](C)C[C@H](C)c1ccc(C)cc1C=CCO)C(=O)N[C@H](CO)C(=O)O 2356365589 OLHMPWBLHDQGDT-GQIGUUNPSA-N 389.492 2.638 0 1 GFAF CC(=O)OC[C@]1(C)C2=CC[C@@H]3C[C@](C)([C@H](O)CO)CC[C@]3(C)[C@H]2CC[C@H]1O 2356391468 WTYBTRGTZZAJCG-CTNIEBEDSA-N 380.525 2.823 0 1 GFAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4ncccc4C)C[C@H]3F)[nH]c2c1 2356706727 RJNNNJXEXAITIC-DNVCBOLYSA-N 398.438 2.792 0 1 GFAF O=C(NCc1ccccc1Cl)c1nnc(CS(=O)(=O)c2ccccc2)o1 6822544 ANSTWYBJYXOVMN-UHFFFAOYSA-N 391.836 2.627 0 3 GFAF O=C(NC[C@@H]1CCCN(C(=O)NCc2ccccc2)C1)c1ccc2c(c1)OCO2 11953398 PQBSTFDUJAUNBO-KRWDZBQOSA-N 395.459 2.767 0 3 GFAF COc1ccc(C2=NO[C@H](C3(S(=O)(=O)c4ccccc4)CC(O)C3)C2)cc1 15973917 NGXZPAGBEGNKCJ-YHDJDMAPSA-N 387.457 2.556 0 3 GFAF Cc1nc2ccc(S(=O)(=O)NCC(=O)Nc3ccc(F)cc3F)cc2s1 6808615 KIXPLEGKYRAUEP-UHFFFAOYSA-N 397.428 2.800 0 1 GFAF O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Oc1ccccc1 13446616 AWDDVVWRRTWTRQ-LJQANCHMSA-N 377.400 2.942 0 1 GFAF Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)CN1CCCCC1=O 15075503 FTDRHCYROZDIMU-MRXNPFEDSA-N 387.528 2.745 0 1 GFAF COc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O 71294533 VFUHCHXRQDQJHI-QKVFXAPYSA-N 396.397 2.739 0 1 GFAF O=C(O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5)c1ccccc1 73162881 PPRMAGAZSQCYCB-FNAHDJPLSA-N 391.423 2.613 0 1 GFAF CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1C(C)=O 95895710 VSSLUMFLNCMGMA-BHIFYINESA-N 384.451 2.646 0 1 GFAF N[C@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(Br)cc1 586996804 KRYADZSKZURYKP-GFCCVEGCSA-N 396.266 2.815 0 1 GFAF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1OC 587169764 KAHYVOPDBIFAOX-UHFFFAOYSA-N 379.413 2.540 0 1 GFAF COc1cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(OC)c1O 587786842 YKKTUHVUZLOPEU-UHFFFAOYSA-N 380.404 2.708 0 1 GFAF O=C(O)[C@H]1C(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H]1C(=O)O 587970498 INIVPAWUVZSNOW-YUMQZZPRSA-N 393.115 2.843 0 1 GFAF O=C(NN1C(=O)C=CC1=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 1911571458 CBFGOOPPNDXSED-UHFFFAOYSA-N 382.379 2.953 0 1 GFAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H](C)[C@@]23C[C@@H](COC)C(C(=O)O)=C3C1 2356862239 UXZZATXVUFODKU-XGHDSRBHSA-N 375.513 2.706 0 1 GFAF O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc4nonc4c3)N3CCC[C@@]123 12305874 BPNAPUDEMBDJRK-LRQRDZAKSA-N 375.432 2.556 0 3 GFAF CO[C@H]1[C@@H](OC)[C@@H](CCC(C)C)O[C@@H](OCC(=O)O)[C@H]1OCc1ccccc1 53313197 VAEAPLDXQLTUQK-SDZDHKAXSA-N 396.480 2.864 0 1 GFAF Nc1ncnc2c1CN(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)C(=O)CO2 101693285 HOOHPNKJMSXQJN-OKILXGFUSA-N 396.447 2.733 0 1 GFAF CC(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F 113489540 RIXBELCZPVCZHD-UHFFFAOYSA-N 380.376 2.617 0 1 GFAF Cc1c(NCc2cnn(C)c2)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1N(C)C 114812875 DWNQQGFFUDWETP-SJORKVTESA-N 393.495 2.774 0 1 GFAF CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cccc3ccccc23)C1 61908072 RMDRBYKZWSFSAR-FQEVSTJZSA-N 388.489 2.548 0 3 GFAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(C)nc2sc(Cl)cn12 29132441 ADNFJANIRNILMI-UHFFFAOYSA-N 395.868 2.938 0 1 GFAF CNC[C@@H]1C=CN(C(=N)NC)C[C@]12[C@H]1CC[C@@H]3CC=C[C@H]4CC(C(=O)O)=C(C1)[C@]432 2356705859 GBOTYAJSMKXMGZ-JYAQHJJYSA-N 396.535 2.569 0 1 GFAF CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@@H]1C(=O)OCCCc1ccncc1 27216541 JMLRFOPJGOEVRD-FGTMMUONSA-N 386.492 2.942 0 1 GFAF C[C@@H]1O[C@H](CC(=O)O)Cc2c1c(O)c1c3c(c4n(c23)[C@H]([C@@H](C)O)CC4)C=CC1=O 13911942 AWMWNWIBOOYESP-ZHPDPMBESA-N 397.427 2.902 0 1 GFAF biogenic,in-vitro COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 82209642 YGCMYVKFHRQCGR-SFHVURJKSA-N 398.507 2.664 0 1 GFAF COc1ccc2[nH]c(CN3c4ccccc4C[C@H]3CO)c(CCNC(C)=O)c2c1 40429138 LAQHBBPRCOKTEM-KRWDZBQOSA-N 393.487 2.779 0 1 GFAF CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893677 CEGBGEYQWQMGBL-SLFFLAALSA-N 379.460 2.595 0 1 GFAF O=C(NCc1ccc(Cl)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651324 HCLZLSXAZHVTRF-UHFFFAOYSA-N 376.199 2.660 0 1 GFAF O=S(=O)(Nc1ccsc1-c1nc2ncc[nH]c-2n1)c1ccc(F)cc1 587171116 YXUTWQQVAARMNW-UHFFFAOYSA-N 375.410 2.973 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(C(=O)O)cc1)(c1cc[nH]c1)NCC2 962930749 MJXJAWHARANWKN-HSZRJFAPSA-N 389.455 2.852 0 1 GFAF C[C@@H]1CC2(CC[C@]13N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c13)OCCO2 962966816 AMLCKMZEFBOFDA-YYBHTSLMSA-N 387.810 2.976 0 1 GFAF CC(C)Nc1cc(-n2ccc3cncnc32)ncc1C(=O)NCCC(C)(C)O 1772643643 QXCJSXBXJGFACL-UHFFFAOYSA-N 382.468 2.527 0 1 GFAF Cn1ncc(C(=O)N2CCC(Oc3cc(=O)[nH]c4ccccc34)CC2)c1Cl 169350027 BKRKCQLWYPBAFC-UHFFFAOYSA-N 386.839 2.599 0 1 GFAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)ccc4C3)ncnn12 169711782 PVOYOTZJSORNQG-MRXNPFEDSA-N 376.464 2.772 0 1 GFAF CC(C)(C(=O)NCc1ccco1)n1cc(NC(=O)COCc2ccccc2)cn1 206056626 GQHJKUNFVOZKGO-UHFFFAOYSA-N 396.447 2.683 0 3 GFAF Cc1cc(C(=O)[C@@H]2C(=O)Nc3ccccc32)c(C(=O)N2CCCCC2)c(O)n1 1857768655 CQNSYTOMLMLXKS-MRXNPFEDSA-N 379.416 2.640 0 1 GFAF Cc1cn2cc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4oc3=O)nc2c(C)n1 146052413 AWUGZGWYVVYYIP-CYBMUJFWSA-N 389.459 2.918 0 1 GFAF CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@H]1c1cccs1 110730731 IHYDTOOPTPABPS-HUUCEWRRSA-N 376.503 2.713 0 1 GFAF O=C(O)CCCC(=O)c1cc2c(s1)CCN(CCC1CCNCC1)C2=O 26667295 UOEDCICFXUABRU-UHFFFAOYSA-N 378.494 2.574 0 1 GFAF CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccncc4F)cc23)CC[C@]1(C)N 215307817 UVBXDOXNDDQDMV-UTKZUKDTSA-N 396.470 2.952 0 1 GFAF CN1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2[C@H]1COc1cccnc1 45337580 XXFPUZNLBBEBHL-KAGYGMCKSA-N 387.487 2.984 0 1 GFAF COC(=O)c1nn(-c2cccc(F)c2)c2c1N(C)S(=O)(=O)c1ccccc1-2 95580969 PIDLQXZCNZCGJD-UHFFFAOYSA-N 387.392 2.604 0 1 GFAF O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cncnc2)c1=O 25410770 MHEXFUDQMQZKPW-ZBFHGGJFSA-N 390.418 2.704 0 1 GFAF biogenic CCN(CC)C(=O)COc1ccc(CC(=O)OCC(F)(F)F)c(F)c1OC 299821902 CIFBZOBKDVKZPT-UHFFFAOYSA-N 395.349 2.730 0 1 GFAF CS(=O)(=O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607401 MMPGRDAYYLWTJH-APWZRJJASA-N 385.397 2.704 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C(=O)O)[C@H]3C(=O)O 586990536 LJZFIVCVPFACSK-MEBBXXQBSA-N 375.336 2.577 0 1 GFAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(OC)c1)(C(O)O)CC2=O 587475606 BCZOCQYIVVQCAI-OAQYLSRUSA-N 388.416 2.533 0 1 GFAF COc1cccc([C@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587808039 NBQHRYBITZPVBA-YPMLDQLKSA-N 396.256 2.685 0 1 GFAF COC(=O)[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807188 LKBAOZHUPRJJMH-HUTHGQBESA-N 384.245 2.860 0 1 GFAF CCN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587450440 GONNSSVGWADGLL-FOIQADDNSA-N 385.441 2.508 0 1 GFAF CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400521 QGNFWHQOSHIXFH-VLIAUNLRSA-N 377.437 2.824 0 1 GFAF O=C(c1cccc(Nc2c(N[C@H]3C[C@@H]4CC[C@H]3C4)c(=O)c2=O)c1O)N1CCCC1 1857565718 ZFEXFHOZIDYWSO-WWGRRREGSA-N 395.459 2.568 0 1 GFAF CO[C@@H]1OC(=O)[C@H](c2ccc(O)cc2)[C@@H]1Cc1ccc2c(c1)C[C@@H](O)C(C)(C)O2 2356421274 DPSBLYOBWXUIHM-RJJVWVDVSA-N 398.455 2.938 0 1 GFAF CCn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21 6746982 GLRKHZJKBNJIAB-UHFFFAOYSA-N 380.404 2.775 0 1 GFAF Cc1ccc(S(=O)(=O)Nc2cccc(-c3ncc(C)c4nc(N)nn34)c2)cc1 28240888 YYXBRTKSGMBMFW-UHFFFAOYSA-N 394.460 2.791 0 1 GFAF COc1cc(-c2cccc(-c3ccnc(N4CCOCC4)n3)n2)cc(OC)c1O 45253675 VEEBKEZYGPCSNG-UHFFFAOYSA-N 394.431 2.765 0 1 GFAF CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 82073975 IJOXXRBUOXZCSZ-UHFFFAOYSA-N 390.461 2.769 0 1 GFAF COc1ccc(CN2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]3NCC[C@H]32)cc1 25228923 OPJRQROUEXPUJC-WOJBJXKFSA-N 393.443 2.597 0 1 GFAF biogenic CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)[C@H]1C2 253677948 QLJHRHJFUIHEAT-NBYUQASBSA-N 384.476 2.878 0 1 GFAF COc1cc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl 299839432 RQWNFNYBAAPHTG-UHFFFAOYSA-N 388.232 2.972 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(N)(=O)=O)cc2)N1 587840881 NOXMEJUHMPYDAJ-XXFAHNHDSA-N 399.285 2.859 0 1 GFAF COc1ccc(CNC(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427544 DOBOPJTXRXWADJ-VGOFRKELSA-N 381.428 2.916 0 1 GFAF CCOC(=O)[C@@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582779 QXZPWPJXQZKNPX-UWJYYQICSA-N 394.383 2.546 0 1 GFAF COc1cncc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c12 586936302 LGPIRRNQGLZHJF-CYBMUJFWSA-N 392.506 2.739 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(n2)NC(=O)CO3)N1 587798298 ZTPKFXXTDVUVGH-VPTHRUTESA-N 392.228 2.938 0 1 GFAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccnc1 203532235 CBQDSEFXEQGKTF-UHFFFAOYSA-N 387.823 2.963 0 1 GFAF O=C1C[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]2CCN1Cc1cccnc1 15673131 YSOUPIAWQSNUPZ-OALUTQOASA-N 399.516 2.531 0 1 GFAF biogenic O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@H](O)C23CCC(CC2)N13 27110138 HZRLIXRIKBJBFN-QSMYLBRMSA-N 392.499 2.952 0 1 GFAF CN(C)P1(N(C)C)=N[P@](N(C)C)(N2CC2)=N[P@](N(C)C)(N2CC2)=N1 28762938 HYMWZDYKQJWHKR-PSWAGMNNSA-N 395.373 2.716 0 1 GFAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNCCOc1cccc2c1CCCC2 38209297 HAWLNWMPWCIBNB-IBGZPJMESA-N 385.508 2.741 0 1 GFAF COc1ccc([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1 45317339 AMGOJWXLMBWGFD-FQEVSTJZSA-N 386.404 2.960 0 1 GFAF CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@H]1c1coc2cccc(C)c2c1=O 71341732 UIBXPMRTOMGHIM-ZDUSSCGKSA-N 396.321 2.835 0 1 GFAF COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc4c(c3[C@@H]1O)CCCO4)CO2 85593023 AYFYREJCCXAGKG-FHTPNYMGSA-N 384.428 2.804 0 1 GFAF biogenic,in-vitro COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@@H]2CO 95877862 CCYDRPIXILLTMH-WEYGHZABSA-N 384.451 2.839 0 1 GFAF O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2S(=O)(=O)CC3)cc1 96927471 WWLNSUCLBXSBOL-UHFFFAOYSA-N 395.440 2.844 0 1 GFAF CNc1ccc2c(c1)[C@@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O 141949220 SYFDHJWBGXAUQK-INIZCTEOSA-N 382.432 2.894 0 1 GFAF OCCn1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 144901893 SBVSXCJFCSJNFT-LJQANCHMSA-N 390.361 2.813 0 1 GFAF C[C@H](Oc1cc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)ncc1C1CC1)C(F)(F)F 149250522 UZUAJNYIPZAFCC-XPTSAGLGSA-N 387.402 2.918 0 1 GFAF O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)[C@H]1C(=O)c1ccc(F)cc1 169688739 BVVSGRPOAWXFIQ-RBUKOAKNSA-N 389.386 2.767 0 1 GFAF CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1ccc[nH]1 207735085 DHWPYLNSLCNKKN-UHFFFAOYSA-N 375.610 2.973 0 1 GFAF COC(=O)c1cc(Cl)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2c1 586936842 ARNCSDQATKSATD-UHFFFAOYSA-N 396.856 2.685 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586951770 YVIVDZTTXDJFPY-UHFFFAOYSA-N 377.373 2.780 0 1 GFAF O=[S@@](CCCc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1 586960836 PXNWBEHNPDFSQO-QFIPXVFZSA-N 381.255 2.561 0 1 GFAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(N)c(N)cc2[nH]1 586983771 CBTJLAUPSRVEJZ-INIZCTEOSA-N 388.269 2.910 0 1 GFAF CCOC(=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1 587186837 WJVIHVKCWBHJGL-UHFFFAOYSA-N 394.172 2.801 0 1 GFAF CCn1cc(Cl)c([C@@]2(CC(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587418553 BZNNTMOTYUYORN-BLVKFPJESA-N 390.823 2.771 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(C)(=O)=O)c(F)c1)[C@@H](C2)C3=O 587425963 IXCZFONSZFVBCZ-DJJJIMSYSA-N 376.405 2.901 0 1 GFAF COc1ccc(CC(=O)Nc2cc(-c3ccccc3)nc3ncnn23)cc1OC 1772604299 QIMXVJBPWVHPRA-UHFFFAOYSA-N 389.415 2.990 0 1 GFAF CC=C1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356614493 WYNQUOUUSJZYJJ-RYRKJORJSA-N 384.476 2.823 0 1 GFAF COc1ccccc1/C=C/C(=O)NCC(=O)N1CCC(N(C)C2CCCC2)CC1 5057785 FFTDORUHGZUBQF-VAWYXSNFSA-N 399.535 2.690 0 3 GFAF N[C@@H](Cc1ccccc1)c1csc(Nc2ccc(C(=O)NCCO)cc2)n1 61898381 MBAUJPOXBYJOLS-KRWDZBQOSA-N 382.489 2.851 0 3 GFAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)c1O 105518491 RBEXOAWNMJODKC-VYALMSHHSA-N 399.443 2.948 0 3 GFAF CC[C@@H]1CCCCN1C(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(C)c21 8604848 UOVWTVPANBANHK-GFCCVEGCSA-N 384.402 2.853 0 1 GFAF CC(C)(CN1CCN(c2ncccn2)CC1)NC(=O)C12CC3CC(CC(C3)C1)C2 13802797 GCKZBUSGSIWSQO-UHFFFAOYSA-N 397.567 2.710 0 1 GFAF CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1CCOCC1=O 13862038 SOSDZLZCZHXALY-CABCVRRESA-N 388.489 2.520 0 1 GFAF COc1cccc(CNC(=O)N2CCN(Cc3ccc4nccnc4c3)CC2)c1 21648962 OTOZXEIBUSZCGM-UHFFFAOYSA-N 391.475 2.666 0 1 GFAF O=C(CC1=CC(=O)O[C@H]2C=C(O)C=C[C@H]12)NC1CCN(Cc2ccccc2)CC1 27440564 CWMJQAWGJPECRR-RTWAWAEBSA-N 394.471 2.637 0 1 GFAF O=C(O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O 40379673 NOYQYUMZPMUAQK-UHFFFAOYSA-N 385.322 2.555 0 1 GFAF COCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40914635 VXLDEDKRJNGWMF-UHFFFAOYSA-N 396.495 2.983 0 1 GFAF COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)cc1N1CCOCC1 73298436 ODCZTIYVQFAGNO-UHFFFAOYSA-N 394.431 2.512 0 1 GFAF CC(C)[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(C(C)C)c2=O)N1 82206827 WVWGXMWYZAHOFO-HNNXBMFYSA-N 376.501 2.950 0 1 GFAF Cc1cc(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1CCC1OCCO1 95553331 VFCBSIXZYGBWJK-UHFFFAOYSA-N 386.492 2.618 0 1 GFAF c1cc(N2CCc3c(-c4ccc5[nH]cnc5c4)nc(N4CCOCC4)nc32)ccn1 95598131 KNXLROPQNFNDQQ-UHFFFAOYSA-N 399.458 2.946 0 1 GFAF CCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO 95875138 RVOKLENHAKIBKK-GIWBLDEGSA-N 379.504 2.910 0 1 GFAF O=C1N[C@H](c2ccccc2)COCn2nncc2CC[C@H]1Cc1ccccc1 95898414 SAGFGIZIGKWJGX-FPOVZHCZSA-N 376.460 2.915 0 1 GFAF CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cccs2)[C@@H]1c1cccs1 110730740 IHYDTOOPTPABPS-GJZGRUSLSA-N 376.503 2.713 0 1 GFAF CC[C@@]1(c2cccc(C(N)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21 169323661 SCNSHBHEDUUZDM-RMNGQBEXSA-N 376.500 2.525 0 1 GFAF Cc1cccc(C(=O)N[C@@]23CCC[C@@](C(=O)Nc4ccnc(C)n4)(CC2)C3)n1 169710869 ICLSGXPHOMUHDE-RTWAWAEBSA-N 379.464 2.950 0 1 GFAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cs1 587019150 IWOKDMGDBJWYSY-UHFFFAOYSA-N 381.849 2.765 0 1 GFAF CN(C)S(=O)(=O)c1cccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc12 587068702 BKYRCUYANHTDHV-UHFFFAOYSA-N 377.853 2.892 0 1 GFAF Cc1cccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 587180175 DLQNDBSTQXJKHY-UHFFFAOYSA-N 382.161 2.575 0 1 GFAF N=c1nc2c(c[nH]1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578403 WQTLAVNOUCXFPB-UTKZUKDTSA-N 375.384 2.788 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN[C@@H](C(=O)O)[C@H]3C2)N1 587790553 DHZTVXVNXUMHGH-FMQLKQFBSA-N 397.288 2.790 0 1 GFAF CN1CCN(c2ccc(Nc3nccc(-c4cnn5c4CCCC5)n3)nc2)CC1 1857548211 PDAGDCQXFVQYJZ-UHFFFAOYSA-N 390.495 2.567 0 1 GFAF CN=c1[nH]c2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]1[C@H]2C 2356317961 FXBYIZYYANCMKC-LMDNEKBHSA-N 377.554 2.574 0 1 GFAF CC(=O)C[C@@]1(O)C(=O)c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@@H](C)O4 13480634 SJTGXQPVZQYOCL-ZQJOYCHOSA-N 398.411 2.707 0 1 GFAF biogenic CN(C)CCc1c[nH]c2ccc(C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cc12 13603520 RJNCDIBXVARWRT-NRFANRHFSA-N 390.487 2.935 0 1 GFAF CCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2c(C)nc3ncccn23)s1 20915525 JNRKNBKTFVRZON-CYBMUJFWSA-N 383.477 2.826 0 1 GFAF C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)ccc12 29128444 VEDVRGDEFIRTMR-SECBINFHSA-N 378.404 2.681 0 1 GFAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccc(C)cc1 35847247 AVOVERVPDMHXIG-IBGZPJMESA-N 384.457 2.765 0 1 GFAF COc1ccccc1C(=O)c1cnn2c1n[n+]([O-])c1ccc(C(F)(F)F)cc12 64447779 GNYPTZAKXSHDBG-UHFFFAOYSA-N 388.305 2.774 0 1 GFAF NC1=N[C@](c2cccc(NC(=O)c3cnc(C(F)F)cn3)c2)(C(F)F)COC1 113660374 MNMKHNPNWDQPIY-QGZVFWFLSA-N 397.332 2.514 0 1 GFAF Cc1nn(C)c2ncc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)cc12 147886997 SNJFRCLYCJVYFL-UHFFFAOYSA-N 388.431 2.617 0 1 GFAF CN(C)[C@@H]1CCCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)C1 169357152 IXIZVBISXXXRIK-NHCUHLMSSA-N 394.498 2.976 0 1 GFAF CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(NC)n1 169705027 IRWCGGXJAWWNGL-UHFFFAOYSA-N 391.859 2.786 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4c(cc3[nH]2)OCO4)cc1 587228903 TWSZJWZVBKXBAF-UHFFFAOYSA-N 382.376 2.790 0 1 GFAF Cc1nn(C)cc1[C@]1(CN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587517054 ZYNLZGJDJGCGIT-HSZRJFAPSA-N 395.503 2.800 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(N)(=O)=O)c2)N1 587842238 SZYWVTJHZFGIBE-ABKXIKBNSA-N 399.285 2.859 0 1 GFAF COCOc1ccc(C[C@H]2c3ccsc3CCN2C(N)=O)cc1OCOC 962705906 HQQSBMXZCMPFOL-HNNXBMFYSA-N 392.477 2.934 0 1 GFAF CCN(CC)CCNC(=O)c1cc(-c2cnc(OC)nc2)nc2ccccc12 1239842894 ZOPINTJKXOYOHF-UHFFFAOYSA-N 379.464 2.772 0 1 GFAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(Cl)c3)nc(CO)c12 1772606644 WWEIXIURVQXTCW-SECBINFHSA-N 375.816 2.995 0 1 GFAF CCC(C)(C)NC[C@H](O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1 1772620598 SYWTZCLVKUGBKA-INIZCTEOSA-N 381.473 2.619 0 1 GFAF CC(C)C[C@H]1C[C@@H](C(=O)O)[C@]2(C(=O)Nc3ccccc32)N1C(=O)c1ccccn1 1772626049 PJIBDHPCJPEPCS-KHJUTWJGSA-N 393.443 2.891 0 1 GFAF O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)ccc2o1 1857766092 HWFAMARPORWDKE-UHFFFAOYSA-N 378.428 2.893 0 1 GFAF CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2C[C@H]4C[C@@]23CC[C@]4(O)CO)O1 2356324349 JGIRWYHXRIYAAU-FHGRWSSDSA-N 394.552 2.855 0 1 GFAF CC(=O)O[C@]1(C)[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(C=COC1)O2 2356614585 ADJTVQDIBOKSAE-FNADFNBSSA-N 392.492 2.916 0 1 GFAF O=C(O)c1ccc(C(=O)Nc2c(O)c3cc(Cl)c(O)c(Cl)c3oc2=O)[nH]1 2356776518 XKCFYLTVOFQSHE-UHFFFAOYSA-N 399.142 2.790 0 1 GFAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 61904400 AAXKWRZLAIGHCB-QGZVFWFLSA-N 388.386 2.590 0 3 GFAF O=C(O)[C@H]1CCCC[C@H]1C(=O)OCCCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5101354 CAOCATZETDLGIH-CAOSSQGBSA-N 398.452 2.635 0 1 GFAF CC(C)NC(=O)N[C@H]1CCN2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C1 25189088 SKWXFFIACRZXLD-GXTWGEPZSA-N 398.385 2.713 0 1 GFAF biogenic O=C1C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H](c2ccccc2)C1 28712934 INAIPMPSUALWTD-FGZHOGPDSA-N 378.472 2.993 0 1 GFAF C[C@@H](C(=O)NCC1CC1)C(=O)N[C@H]1C(=O)N(C)c2ccccc2-c2ccccc21 28824905 MPZATXFDQOSKQF-VBKZILBWSA-N 391.471 2.650 0 1 GFAF COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 38388584 TZYSLHTWOJFPSJ-UHFFFAOYSA-N 384.664 2.763 0 1 GFAF Cc1ccccc1[C@@H]1CC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 40952265 RLHNUSLYPODRJE-SFHVURJKSA-N 381.451 2.756 0 1 GFAF NC(=O)c1sc2nc(NCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N 73224545 BCALWAGTQCFXQT-UHFFFAOYSA-N 398.275 2.750 0 1 GFAF O=C(O)c1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1O 95583479 PAHXIROLDPOTBX-UHFFFAOYSA-N 390.355 2.644 0 1 GFAF Cc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 110787269 PXXBCJNYKPSOBG-GJZGRUSLSA-N 381.413 2.904 0 1 GFAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(-n3cncn3)cc2)ncn1 144423433 CXIFHTSSBNUWGX-UHFFFAOYSA-N 377.452 2.936 0 1 GFAF CN1CCN(C2=C/C(=C/C=C3\C=c4ccccc4=N3)N(C)c3ccccc32)CC1 377853433 DGRKHRFMUILZKR-PXQYURKDSA-N 382.511 2.606 0 1 GFAF COC(=O)C(=O)C[C@]1(c2ccc(C)o2)NCCc2cnc3c(OC)cccc3c21 963057145 LQOMJXASOCLREQ-JOCHJYFZSA-N 394.427 2.666 0 1 GFAF Cc1ccc(N[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2c2ccccc2)cc1 1857632825 FKLXITNLZHSNFA-PMACEKPBSA-N 396.516 2.997 0 1 GFAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@H]1CC=C1C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356326322 WQTFWVCETRQASJ-PUONGMCYSA-N 378.509 2.577 0 1 GFAF O=C(O)c1cc(C(=O)OC=Cc2cc3c(O)ccc(O)c3cc2O)c(O)cc1O 2356360475 GVOVUUGMYUOPJR-UHFFFAOYSA-N 398.323 2.894 0 1 GFAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@H]2[C@H]1[C@@H]1C[C@](C)(O)C(=O)CC[C@](C)(O)[C@@H]2O1 2356546049 XTZRJSQVKAGUBF-LNDUDPRESA-N 396.524 2.629 0 1 GFAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3ccc(C(=O)O)cc3)n2)=CN1 2356844053 PXKNPAXAYUXWFB-KRWDZBQOSA-N 394.455 2.656 0 1 GFAF C[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 5067798 TYSLUJDSUVKGBT-HNNXBMFYSA-N 395.484 2.833 0 3 GFAF O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCCC1)C1CC1 198920974 NVMMLBUALOVJPO-OALUTQOASA-N 389.540 2.511 0 3 GFAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3[C@](C)(O)[C@@H]12 2356468214 UQVRSNOOFJMHDB-BGMCZQPQSA-N 382.460 2.540 0 1 GFAF C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 4328234 GWOMEUXCLIGNII-HIOQPQMCSA-N 390.524 2.652 0 3 GFAF CCn1c(NC(=O)c2ccc3nc4n(c3c2)CCCNC4=O)nc2ccccc21 117726466 HIWDEEKFVOBEDG-UHFFFAOYSA-N 388.431 2.792 0 1 GFAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)C/C=C/c1ccccc1 61929898 FSQOMPFTROVZFZ-OGECGYFKSA-N 398.484 2.586 0 3 GFAF COc1cc(OC)c(-c2nc(N3CCNCC3)nc3ccccc23)c(OC)c1 40875248 NQFCHLXXIHWCNI-UHFFFAOYSA-N 380.448 2.732 0 1 GFAF CC(C)CNc1ncnc2c1nc(-c1cccnc1)n2CCCN1CCCC1=O 82177932 KQRCQHJYOBJSQO-UHFFFAOYSA-N 393.495 2.969 0 1 GFAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 95794108 UVQGOMIEIBUXJK-PZJWPPBQSA-N 382.504 2.545 0 1 GFAF CC1(C)Oc2ccc(-c3cncc(Cl)n3)cc2[C@@]2(COC(N)=N2)C12COC2 149410135 ZRRKOIHRTBFWMQ-IBGZPJMESA-N 386.839 2.525 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc4nc(O)[nH]c4c1)[C@@H](C2)C3=O 587438321 NOCVHEVZQBBKCT-YEJXKQKISA-N 393.399 2.812 0 1 GFAF O=S(=O)(O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587084408 AFXGUPGPRCWUIQ-UHFFFAOYSA-N 393.856 2.637 0 1 GFAF CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12NCCc1c2sc(C)c1C 963009289 LDDUILYNWNPYLQ-PGRDOPGGSA-N 398.528 2.928 0 1 GFAF CN1C(=O)[C@H]2CN(Cc3c2c2ccccc2n3Cc2ccc(C(=O)O)cc2)C1=O 1772607654 BKQLSORTDOFKMX-INIZCTEOSA-N 389.411 2.879 0 1 GFAF COc1ncc(C(=O)N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)cn1 12592939 QPTKOPIASIROCW-JOCHJYFZSA-N 380.492 2.656 0 1 GFAF Cc1ccc(CCNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 13574169 ONNCLAPHEBPYMD-IVCWUUCSSA-N 379.508 2.944 0 1 GFAF NS(=O)(=O)c1ccc([C@@H](Nc2nccs2)C(=O)c2ccc(F)cc2)cc1 13588962 ICDQORXVPZQSIP-OAHLLOKOSA-N 391.449 2.966 0 1 GFAF C/C=C1/CN2CC[C@@H]1[C@@](COC(C)=O)(C(=O)OC)c1[nH]c3ccccc3c1C2 14827335 FFOLRDAPZBOCPV-VALSSKDISA-N 382.460 2.924 0 1 GFAF CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCc2ccccn2)n1)C(C)(C)C 150233850 PTJUDNXMKSXQFH-GOSISDBHSA-N 396.491 2.824 0 1 GFAF COC(=O)c1cc2nc(SCC(=O)Nc3ncccn3)[nH]c2cc1Cl 1857565296 SCDWYJKBVNOHML-UHFFFAOYSA-N 377.813 2.524 0 1 GFAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCOCCO 2483759 IZCHNBMKDYIJPJ-UHFFFAOYSA-N 376.453 2.777 0 1 GFAF O=C(Nc1nccs1)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O 5975122 APVGKIMMMFQLHM-UHFFFAOYSA-N 398.878 2.947 0 1 GFAF O=C(N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2C1)c1cccs1 12604783 IZYRNZQVVFLTBI-FZMZJTMJSA-N 389.864 2.757 0 1 GFAF biogenic COC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)c1 13820139 XYCILAGNHIWZRO-UHFFFAOYSA-N 386.407 2.987 0 1 GFAF CCN(CC)C[C@@H]1CCCCN1CC(=O)N1C[C@H](C)C(=O)Nc2ccccc21 19365382 REKXQUNAUIKCRQ-ROUUACIJSA-N 386.540 2.804 0 1 GFAF CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccco3)ccc2=O)CC1 25427188 RURWBMHTQSBCGL-SJORKVTESA-N 381.476 2.538 0 1 GFAF biogenic O=C(O)C[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1O)C(=O)O 27179376 RMKUUNZXSBUMGK-KDOFPFPSSA-N 388.844 2.580 0 1 GFAF COC(=O)[C@H](COCc1ccccc1)N1C(=O)[C@H](C)S[C@H]1c1cccnc1 27756449 IXNXQERYJVBXKQ-FNHZYXHNSA-N 386.473 2.803 0 1 GFAF CN1C(=O)N=C(/N=c2\[nH]c(-c3ccccc3)c(Cc3ccc(O)cc3)s2)C1=O 28902215 BIMVJSXGJUHWAL-UHFFFAOYSA-N 392.440 2.931 0 1 GFAF OC(c1cccnc1)(c1cccnc1)[C@@H](Cc1ccccc1)N1CCOCC1 49113522 IOINRDOSUIAQPJ-JOCHJYFZSA-N 375.472 2.656 0 1 GFAF COc1cc2nc(N3CCCC3)nc(NCCCN3CCCC3=O)c2cc1OC 82131200 KJXOWKJTJSLKJO-UHFFFAOYSA-N 399.495 2.672 0 1 GFAF C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(CC3CCCCC3)c(=O)n21 82211054 BAZXFCHDCVTLAV-CQSZACIVSA-N 384.480 2.895 0 1 GFAF Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCC2CC2)nc1 84632373 JKAXKITVVFSIQF-UHFFFAOYSA-N 378.358 2.591 0 1 GFAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3nccs3)C2)N1Cc1cccnc1 95794096 QKRWTHOYIYWFOP-TZIWHRDSSA-N 392.528 2.753 0 1 GFAF CC(C)(C)C(=O)/C=c1/nc(O)/c(=C/c2c(F)c(F)c(F)c(F)c2F)s1 103740391 ZUZGVABGHKEYFK-HZLSWQDRSA-N 377.334 2.769 0 1 GFAF OCCN1CCc2ccc(CN3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)cc21 113828400 BXCXZISLTZBGJO-NRFANRHFSA-N 391.519 2.994 0 1 GFAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4F)oc23)[C@H](O)C1 140899420 MADUTGUALSLNOW-YVEFUNNKSA-N 385.391 2.790 0 1 GFAF NC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1ccccc1 143393213 ONSVWVNIJRHKCX-HNNXBMFYSA-N 393.365 2.857 0 1 GFAF CO[C@]12C=C[C@@]3(C[C@@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 169716256 VAGUZCYSBGOWIA-ITZGBCMNSA-N 395.499 2.528 0 1 GFAF O=S1(=O)N[C@]2(CCCN(Cc3ccc(F)cc3)C2)COc2ccccc21 299852189 OPVIYLCJPFGOLR-IBGZPJMESA-N 376.453 2.531 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 586945859 CDBXTSZXYGDXFS-LBPRGKRZSA-N 392.868 2.736 0 1 GFAF COC(=O)C(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595740 SAJRQHSMLAOYKA-PCMMCCAGSA-N 382.368 2.635 0 1 GFAF O=C(O)CC[C@@]1(c2ccc[nH]2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962631565 ILUSJCIIYOAPCO-SUMWQHHRSA-N 398.337 2.621 0 1 GFAF CC1=C[C@@]2(CC(=O)N1Cc1ccco1)NC[C@H]1CC(=O)N(C)c3cccc2c31 963038711 XYXOTHAAQZLCKM-QRQCRPRQSA-N 377.444 2.865 0 1 GFAF O[C@H]1C[C@@]2(n3cnc4c(NC5CCCCCCC5)nc(Cl)nc43)C[C@H]2[C@H]1O 1772616383 UVFJMANYMXKZFS-AEVLCDIHSA-N 391.903 2.845 0 1 GFAF Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3cccnc3)cc2)cc1 1857630253 ODBYVNJMKYUNBD-UHFFFAOYSA-N 395.484 2.799 0 1 GFAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cnc3c2)c1C 1857771959 VAARKULNLLWBGM-UHFFFAOYSA-N 391.428 2.809 0 1 GFAF O=C(NCc1ccccc1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C1 2356287494 KPXHDQNXEZKAJJ-IBGZPJMESA-N 382.439 2.657 0 1 GFAF CC(=O)O[C@@H]1CC2=C3[C@H](C[C@H](C)[C@]4(C[C@H](c5ccoc5)OC4=O)[C@@H]3C1)OC2=O 2356434830 GMHUPLXKKUACIO-OJUQSHAZSA-N 386.400 2.858 0 1 GFAF O=C(Nc1ccccc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NCCCc1ccccc1 2356873884 YJVKHESIOJMRFD-XRXFAXGQSA-N 382.460 2.992 0 1 GFAF C[C@H](NS(C)(=O)=O)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 23181977 HDBYKRUMBPFPJH-KSSFIOAISA-N 397.541 2.688 0 3 GFAF NC(=O)c1cnc(Cc2c[nH]c3ccccc23)c(I)c1 61929057 XZOJYXMOEDUKES-UHFFFAOYSA-N 377.185 2.857 0 3 GFAF CO[C@H]1[C@H](OC)[C@@H](CCC(C)C)O[C@@H](OCC(=O)O)[C@@H]1OCc1ccccc1 27648376 VAEAPLDXQLTUQK-QNDFHXLGSA-N 396.480 2.864 0 1 GFAF COc1ccc(-c2cc(NC(=O)c3nnc(-c4ccccc4N)o3)n[nH]2)cc1 43021991 CLVREJGNDMVEPU-UHFFFAOYSA-N 376.376 2.970 0 1 GFAF aggregator Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CCN(C)C)CC2 64436890 GSURAMUGDNSWKE-PTNGSMBKSA-N 382.439 2.515 0 1 GFAF O=C([C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1)N1CCCCC1 82085297 YCDDFZNDJDPLEI-INIZCTEOSA-N 397.431 2.687 0 1 GFAF CCCCOc1c(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c(=O)c1=O 96285330 NJCDBBYDPYUGCH-UHFFFAOYSA-N 399.878 2.990 0 1 GFAF O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 103010659 VPNGEXUPXGYSJV-GOSISDBHSA-N 385.414 2.587 0 1 GFAF COc1ccc2c(c1)N(C1CCN(c3ccc(-c4cnn(C)c4)nn3)CC1)CC2 103242991 RBWWUKNHEWKRGE-UHFFFAOYSA-N 390.491 2.917 0 1 GFAF CCOC(=O)C1=C(N)Oc2cc(O)c(Br)cc2[C@@H]1c1cccnc1 103251857 HMWVQPYEAWHWFG-AWEZNQCLSA-N 391.221 2.807 0 1 GFAF COc1ccccc1[C@@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C 104041516 JEAXPGXATCYXBV-OAHLLOKOSA-N 387.395 2.631 0 1 GFAF CC[C@H]1COC(=O)N1c1cc(C(=O)N[C@@H](C)CO)cc(-c2ccc(C)cn2)c1 113542531 FEMOKEUJAFSVCZ-YOEHRIQHSA-N 383.448 2.903 0 1 GFAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(Cl)cc1Cl 169299173 WGFHSIVDHDSQFC-HOZLKTFLSA-N 377.227 2.691 0 1 GFAF C/C=C1/CN2[C@@H](OC)C[C@]34C(=Nc5c(OC)cc(OC)cc53)[C@@H]2C[C@@H]1[C@H]4C(=O)O 238776226 XYBVYJHXXUTYAN-YMFJJYTJSA-N 398.459 2.755 0 1 GFAF OC[C@H](O)CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 253637352 GCSNYHBLOFJHDQ-SYYKKAFVSA-N 388.458 2.512 0 1 GFAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 586934975 DYGNXJCAXDPBDG-LLVKDONJSA-N 397.913 2.731 0 1 GFAF Cc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Cl 586942577 XKQYKGPGWMPMKR-UHFFFAOYSA-N 393.852 2.774 0 1 GFAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cnncc2[nH]1 586947178 XYRIZROAUCRWRV-UHFFFAOYSA-N 377.476 2.621 0 1 GFAF N=c1[nH]cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc-2[nH]1 587024836 BSTOTNFUKSWBGZ-SNPRPXQTSA-N 382.493 2.853 0 1 GFAF O=S(=O)(Nc1ccccc1-c1nc2cnnc(O)c2[nH]1)c1ccc(F)cc1 587169835 BLMANAGLTVVTCP-UHFFFAOYSA-N 385.380 2.665 0 1 GFAF NN=c1[nH]nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc12 587659985 APVUJWBFHYOWEJ-UHFFFAOYSA-N 398.401 2.843 0 1 GFAF COc1ccncc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 653745688 JFCBFXVYBVDLSU-UHFFFAOYSA-N 387.447 2.546 0 1 GFAF CC(=O)OC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 653785971 BJKMQTPNXOBKIX-MRXNPFEDSA-N 396.378 2.962 0 1 GFAF CS(=O)(=O)C1CCC2(CC1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962772317 VUAQGXDSRUQSIA-CXOJTPOUSA-N 375.412 2.515 0 1 GFAF CCOC(=O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(OC)c1 963506871 GEMJUYPZIUXOLU-LPHOPBHVSA-N 385.416 2.574 0 1 GFAF Cc1nc([C@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H](C)O)n1 1772645102 KJNPQKXNYILKNS-BYCMXARLSA-N 389.463 2.885 0 1 GFAF CCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2nn(C)cc21 1911577681 VKGNECHCJCUDGH-UHFFFAOYSA-N 398.507 2.939 0 1 GFAF COc1cc([C@H]2OC(O)(O)[C@H]3[C@@H]2CC[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356769086 WMZWZCHVRDZUQP-AFHBHXEDSA-N 388.416 2.635 0 1 GFAF O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1ccccc1 2465415 BPAAKHQLHNUVBI-UHFFFAOYSA-N 388.308 2.991 0 3 GFAF COc1ccc2c(c1)sc1nc(/C=C3/C(=O)N4C(C(=O)O)=CS[C@H]34)cn12 13586482 FINRLGAWOGFDKT-OZVSCIAHSA-N 385.426 2.782 0 1 GFAF Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 20152422 HJJQAFFVSCTOMA-UHFFFAOYSA-N 384.501 2.650 0 1 GFAF COc1cc(NC=O)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 28237249 LDNSZAKIHVRKHG-HNNXBMFYSA-N 387.867 2.921 0 1 GFAF O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1Cc1ccc2c(c1)OCO2 29128179 PNDNCUCDQODKID-UHFFFAOYSA-N 390.355 2.580 0 1 GFAF CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)NN1CCOCC1 40864687 OEHNHEYZPGDDPN-UHFFFAOYSA-N 376.359 2.534 0 1 GFAF COc1cc([C@H]2CC(c3c(O)c4ccccc4oc3=O)=NN2)cc(OC)c1OC 49069383 OWMPJCPTCRXATA-CYBMUJFWSA-N 396.399 2.963 0 1 GFAF O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 82209212 CILLLLJTUJBNHV-IBGZPJMESA-N 388.471 2.895 0 1 GFAF COc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]cc(C(=O)O)c3c2)cc1 95575004 MWHSHOWDAYSRJI-UHFFFAOYSA-N 382.376 2.635 0 1 GFAF CC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O 95872005 HLWYRRZQOIEKTJ-FSSWDIPSSA-N 384.451 2.646 0 1 GFAF COC(=O)/C=C/c1ccc2c(c1)C1(OCCO1)C(=O)N2Cc1ccc(OC)cc1 103230744 JIYYTQMIYOLHNM-UXBLZVDNSA-N 395.411 2.628 0 1 GFAF COCN1[C@@H](c2ccc(OC)cc2)CS(=O)(=O)C[C@H]1c1ccc(OC)cc1 103277478 VYWAQQNCOPHYRW-BGYRXZFFSA-N 391.489 2.821 0 1 GFAF O=C(c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1)N1CCCC1 114773235 YOEALSSSMBNFOP-UHFFFAOYSA-N 393.447 2.814 0 1 GFAF COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2CC[C@H]1O 150026782 DBCVUIBEXPYXAJ-DJKGFLTMSA-N 384.476 2.656 0 1 GFAF CN1CCN(C(=O)c2ccc(-c3nc4ccc(O)c(C=O)c4s3)s2)CC1 220398207 DARUOOSZSMRULM-UHFFFAOYSA-N 387.486 2.931 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 238753493 YTKUUOVYXFLJGW-BWRZLRTKSA-N 378.465 2.897 0 1 GFAF OC12C[C@H]3C[C@@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1F)(C3)C2 261113446 IJBCBNGKYORYDI-XFEAJZGZSA-N 376.476 2.827 0 1 GFAF N=c1[nH]ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587172081 YPBRNGJPOPYRQO-INIZCTEOSA-N 397.435 2.577 0 1 GFAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(C(=O)O)cc2[nH]1 587204154 VHHLOPVVUXTPRZ-OAHLLOKOSA-N 383.360 2.703 0 1 GFAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)C5COC5)[nH]c4c3)o2)cc1 587255479 HNEAPBSIKPYXOC-QGZVFWFLSA-N 377.404 2.935 0 1 GFAF CC1=C[C@]2(N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)C(C(=O)O)=C(C)O1 962641890 QKMVPZLSLZTUPY-SUMWQHHRSA-N 399.321 2.672 0 1 GFAF FC(F)(F)c1cccc2c1[C@@]1(CN=CNc3[nH]cnc31)NCC21CCOCC1 962963353 XYWRSYCUFPSNOR-GOSISDBHSA-N 391.397 2.777 0 1 GFAF O=C(O)C1=C(Br)C2=N[C@@H](c3ccccc3)C[C@@H](C(F)(F)F)N2N1 13131007 SHTWFNUMLPJWME-BDAKNGLRSA-N 390.159 2.972 0 3 GFAF O=C(CSc1nc(O)c2cnn(-c3ccc(F)cc3)c2n1)NCc1ccco1 2717989 MVMKDBGIOCZAJF-UHFFFAOYSA-N 399.407 2.662 0 1 GFAF COc1ccc([C@H]2Oc3c4c(cc(O)c3C(=O)[C@H]2O)OC(C)(C)CC4)c(O)c1 2356400404 YOVXQNOKBPXHOT-UYAOXDASSA-N 386.400 2.887 0 1 GFAF CN(C)[C@H]1CCN(c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)C1 3943236 LYWLFOKRWJGIJX-AWEZNQCLSA-N 388.475 2.794 0 1 GFAF Cn1c(C(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)cc2sccc21 4911576 DXDIHGSEVYACTM-CQSZACIVSA-N 382.489 2.803 0 1 GFAF CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O 6424956 MHEVAGSEJUCLJG-UHFFFAOYSA-N 391.276 2.523 0 1 GFAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)cc1)C1=C(O)CC(C)(C)CC1=N2 103663369 IPCUIXZFWIMJJG-OAHLLOKOSA-N 381.432 2.640 0 1 GFAF COC(=O)Nc1nc2cc(N3CCN(C(=O)c4ccccc4)CC3)ccc2[nH]1 29464866 DQKVZKXBASSJMJ-UHFFFAOYSA-N 379.420 2.704 0 1 GFAF Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)CC1CCCCC1 61904104 WWYUURDFODCALO-FQEVSTJZSA-N 392.521 2.761 0 3 GFAF CNC(=O)c1coc([C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 29217078 XRRNUAXUYMWVSW-LKCYJCQHSA-N 384.432 2.555 0 1 GFAF COc1ccc([C@@H]2O[C@H](O)[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)cc1OC 2356475173 RFMVVAAYBGTQPS-XZTDQARTSA-N 386.400 2.826 0 1 GFAF CCC(C)=CC(=O)O[C@@H]1[C@H](O)C[C@@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356650960 XTIZBLMVEVBXHN-MBHDXELXSA-N 378.465 2.633 0 1 GFAF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)NC)O3)CC[C@@](C)(NC)[C@H]2CC[C@]1(C)O 2356831169 JMTPBTLHAQEXIC-UBVIZFPZSA-N 395.632 2.675 0 1 GFAF CC1(C)[C@@H](O)CC[C@]2(C)O[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@H]12 2356866112 VMFJYKZEDLREMS-SEONNTABSA-N 392.448 2.860 0 1 GFAF O=C(NCc1ccc(F)cc1)c1ccc(N2CCN(c3ccncc3)CC2)cn1 45226637 XJHHBRVEMMZUBG-UHFFFAOYSA-N 391.450 2.872 0 1 GFAF CC1(C)Oc2ccc(-c3cncc(Cl)n3)cc2[C@]2(COC(N)=N2)C12COC2 149410341 ZRRKOIHRTBFWMQ-LJQANCHMSA-N 386.839 2.525 0 1 GFAF c1cc2c(c(OC3CCOCC3)n1)C(c1ccc3ncn(C4COC4)c3c1)=NC2 96176017 CGSFCSBBTRUYKD-UHFFFAOYSA-N 390.443 2.911 0 1 GFAF CC(C)(C)OC(=O)N1CC[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 587654834 NVERHEOMKPWPLT-GFCCVEGCSA-N 377.828 2.947 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979978 ZUGMJUWTLOLBOF-UHFFFAOYSA-N 387.646 2.688 0 1 GFAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Cl)cc4[nH]3)c2N)C1 586954845 HQQMJHSWHZAQTF-UHFFFAOYSA-N 376.869 2.783 0 1 GFAF CS(=O)(=O)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532812 OPGSHRVVFVWHLZ-NRFANRHFSA-N 385.485 2.975 0 1 GFAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(Br)cn1 963473965 UISJBERCNNSMRQ-BBRMVZONSA-N 393.237 2.555 0 1 GFAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 1772598926 PYVZAYARZDPDGX-GHYICZDASA-N 391.471 2.904 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H]3CC[S@@](=O)C3)c2cn1)c1ccccc1 1772572084 KVALHTUUDPPBEP-SPKLFRPFSA-N 398.492 2.774 0 1 GFAF COCCc1n(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C 13651158 XVXBICDHKJQEJE-NRFANRHFSA-N 391.491 2.803 0 1 GFAF COc1cccc2c1CCC[C@@H]2NC(=O)CCN1CCN(c2ccccn2)CC1 13757367 YPSAZTJQMLGSGT-FQEVSTJZSA-N 394.519 2.796 0 1 GFAF COc1ccccc1OC[C@@H](O)CNCC1(c2cccs2)CCOCC1 1857644445 MRAOWQQVYLLRDH-INIZCTEOSA-N 377.506 2.834 0 1 GFAF Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 2588338 FEIJSKWHWDSAHF-KGLIPLIRSA-N 385.376 2.735 0 1 GFAF O=C1CNc2ccc([C@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2N1 116255534 ICONQZBKGMYHET-QHCPKHFHSA-N 385.423 2.900 0 1 GFAF CN(C(=O)CCCOc1cccc2c1CN1CC(=O)N=C1N2)C1CCCCC1 26946027 KHRXZNARFZMFTA-UHFFFAOYSA-N 384.480 2.760 0 1 GFAF CCOC(=O)Cc1csc2nc(Cc3cc(OC)c(OC)c(OC)c3)nn12 103202000 ZSMFLIXHNKMCMF-UHFFFAOYSA-N 391.449 2.513 0 1 GFAF CC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12 115626202 AWLBOQGDFJSHDS-UHFFFAOYSA-N 379.464 2.652 0 1 GFAF NC(=O)COc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 114336427 XJBMIEOOJSNFLV-GOSISDBHSA-N 376.460 2.785 0 1 GFAF CC(=O)O[C@@H]1C[C@@H]2[C@H](C[C@]3(O)OC(=O)C=C3[C@]2(C)O)[C@]2(C)CCCC(C)(C)[C@H]12 2356461845 WIHSWORKGXEYFX-DXSWPRRXSA-N 392.492 2.713 0 1 GFAF COc1ccc([C@H]2Oc3cc4c(c(O)c3C(=O)[C@H]2O)C=CC(C)(C)O4)c(O)c1 2356558199 OQSRDCNFGHUSPF-WOJBJXKFSA-N 384.384 2.968 0 1 GFAF CCC(=O)n1cc(C=C2C(=O)NC(=N)N2C)c2ccc(Br)cc21 2356793550 KOSFBFWQCGLNJK-UHFFFAOYSA-N 375.226 2.791 0 1 GFAF CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(S(C)(=O)=O)cc12 34846354 CCDWLBHDOANNKH-UHFFFAOYSA-N 397.382 2.738 0 1 GFAF Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)ccc(F)c43)nc2)cn1 45391054 GOWWHZBOQWHEFS-UHFFFAOYSA-N 396.353 2.822 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2)n1 82133501 WYFCJKNSHOFLLZ-HOTGVXAUSA-N 395.507 2.810 0 1 GFAF C[C@H](CN(C)C)NC(=O)c1c(F)cc(-c2noc(C(F)(F)F)n2)cc1F 142913851 MSPYLYCWIAXLPK-SSDOTTSWSA-N 378.301 2.714 0 1 GFAF O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1 95894560 DJGMPCRJWDHKNS-LMMKCTJWSA-N 398.425 2.541 0 1 GFAF CCOc1cccc([C@]2(N3CCN(c4ncncn4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 261073920 ANPFSBYUHWCSQO-POPHWDIWSA-N 379.508 2.964 0 1 GFAF COc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c2c1C[C@H](C(C)(C)O)O2 64633527 QGZBAODZZJPSGQ-QGZVFWFLSA-N 384.384 2.954 0 1 GFAF biogenic,in-vitro COc1cc(/C=C/C(=O)OCCn2nnc3ccccc32)cc(OC)c1OC 653748807 LCCSUCYUPTYEPI-CMDGGOBGSA-N 383.404 2.714 0 1 GFAF O=S(=O)(c1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1)N1CCOCC1 587142477 BTZFUVHVGQHBJW-UHFFFAOYSA-N 393.465 2.679 0 1 GFAF O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587556516 AYQUTFUMLYGCPE-KBPBESRZSA-N 390.399 2.783 0 1 GFAF Nc1c(-c2nc3c(O)nc(O)nc3[nH]2)sc2cc(Br)ccc12 587030844 JDNXYLAZFNMRDZ-UHFFFAOYSA-N 378.211 2.991 0 1 GFAF Cc1nn(C)c(C)c1[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758044 PBNLIMZZPASUJH-WNWIJWBNSA-N 396.260 2.801 0 1 GFAF COC(=O)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)cc1 12597032 QWKGPJQXTBQZCX-HXUWFJFHSA-N 394.471 2.571 0 3 GFAF COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12 13486993 SYOCPHHLXVQWHC-UHFFFAOYSA-N 395.459 2.788 0 1 GFAF C[C@H]1C[C@H](C)CN(C[C@@H](O)CNC(=O)Nc2ccc(Br)cc2)C1 169295831 PERWFFOQCNSMAR-XEZPLFJOSA-N 384.318 2.909 0 1 GFAF O=C(NC1CCNCC1)c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1 205246119 BBVLEPANAGCAJE-UHFFFAOYSA-N 399.458 2.564 0 1 GFAF COc1ccc(OC[C@@H](C)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 206982810 BKHZTSXNFSOLCO-QGZVFWFLSA-N 384.476 2.929 0 1 GFAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 4026300 CDMVQQAHEQVSMF-SZNBYBCESA-N 390.520 2.577 0 1 GFAF Cn1cccc1C(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 13589860 VSMCKEZEQRAHRC-SFHVURJKSA-N 391.427 2.703 0 1 GFAF COc1cccc2c1CCC[C@H]2NC(=O)CCN1CCN(c2ccccn2)CC1 13757369 YPSAZTJQMLGSGT-HXUWFJFHSA-N 394.519 2.796 0 1 GFAF CC(C)(O)[C@@H]1CC[C@@](C)(O)[C@@H](COc2c3ccoc3cc3oc(=O)ccc23)O1 15215420 PIGJUYQFLILCLL-CSODHUTKSA-N 388.416 2.988 0 1 GFAF biogenic CCCCCOC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 28475047 PHLQXFNPYCRVNS-IRIQGGQESA-N 384.513 2.669 0 1 GFAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 40164350 BBSJMECOWBMUCF-XPCRKILGSA-N 380.525 2.669 0 1 GFAF endogenous,in-man N=C(N)NCCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)c1nccs1 40763436 JISLRAHYIJICFA-INIZCTEOSA-N 395.488 2.541 0 1 GFAF O=C(O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5)c1ccccc1 58575607 DCGOUZFSTUCBET-GUGJDKNPSA-N 391.423 2.613 0 1 GFAF CCCN(CCN1CCN(c2ncccn2)CC1)[C@@H]1CCc2ccc(O)cc2C1 64415648 QPFPLXIMWCZMQV-OAQYLSRUSA-N 395.551 2.574 0 1 GFAF Cc1cc(C)cc(C(=O)c2cc(C)ccc2OCCn2ccc(=O)[nH]c2=O)c1 72123103 MKEWIJNFJBRNAV-UHFFFAOYSA-N 378.428 2.772 0 1 GFAF Cc1c(Cn2ccn3c(=O)nc(N4CCOCC4)cc23)cccc1C(F)(F)F 73298060 CPOSSPYZTUNDSV-UHFFFAOYSA-N 392.381 2.708 0 1 GFAF CC(=O)N(Cc1cccc(F)c1)C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(C)=O 95871670 DAYWJZKJBOAJTK-YPAWHYETSA-N 384.451 2.550 0 1 GFAF COc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(O)n(-c2ccccc2F)n1 101564326 YQIZARWOUFFYBZ-AWEZNQCLSA-N 399.378 2.671 0 1 GFAF CC[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 116190128 XVTCJJHISYARRY-AWEZNQCLSA-N 375.392 2.917 0 1 GFAF CCCCNc1cc(C(=O)O)cc2c1[C@@](O)(c1ccccc1)CS2(=O)=O 169341373 USGKSGCWVMEPCX-IBGZPJMESA-N 375.446 2.620 0 1 GFAF O=S(=O)(Cc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1 586922523 VAJFLNVSGMZIQP-UHFFFAOYSA-N 398.469 2.988 0 1 GFAF COc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cn1 586945721 LMLZAYFQIPCCKW-UHFFFAOYSA-N 390.446 2.767 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)cnc1N)O2 587385378 CSXCDXSBOAWFBI-ZDUSSCGKSA-N 395.200 2.866 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587437816 AMHALGJDIKGPFT-QKKBWIMNSA-N 384.384 2.830 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCNC(=O)C3)cc1)CC2=O 587474760 JJYWBHHZMIPIST-HXUWFJFHSA-N 380.444 2.987 0 1 GFAF CCOC(=O)[C@]1(c2nccn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755107 ODQJSWNNIPMZCY-BTDLBPIBSA-N 396.260 2.663 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(S(N)(=O)=O)c1 587869754 NTBZPYIDTLOPGH-UHFFFAOYSA-N 398.366 2.609 0 1 GFAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@@H]3C[C@H]3F)n2)cc1OC(F)F 653680457 HUSJMLCNDKZUPC-NNYUYHANSA-N 393.369 2.525 0 1 GFAF O=C([C@H]1Cc2ccccc2C2(CCC(N3CCOCC3)CC2)N1)C(F)(F)F 962709881 KHXZGWPMRAWDDR-URSIVYNOSA-N 382.426 2.802 0 1 GFAF O=C1c2nccc3c2C[C@H]1N[C@@]31CCc2cc(I)ccc21 963289480 NZRLYNRZZNQJJS-RHSMWYFYSA-N 388.208 2.587 0 1 GFAF CCCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(Cl)cc2s1 1772602488 IOIMRNJOTZHOSD-ZDUSSCGKSA-N 392.868 2.898 0 1 GFAF CCc1nnn2c1CC[C@@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857751569 ODQQWZYZEODZKI-OAHLLOKOSA-N 391.454 2.847 0 1 GFAF Cc1ccc(CC[C@H]2CCN[C@@H](C(=O)N[C@H](CO)[C@H](O)c3ccccc3)C2)cc1 1911575901 OSSUFWIDVXWMQK-MLDBQTBOSA-N 396.531 2.507 0 1 GFAF CO[C@H]1O[C@]2(Cc3ccc4c(c31)OCO4)c1cc3c(cc1CCN2C)OCO3 2356680031 QXPNCCVBNLAVEG-LEWJYISDSA-N 383.400 2.703 0 1 GFAF Cc1cc(S(=O)(=O)Nc2nc(N)n(-c3ccccc3)n2)c(S)cc1Cl 1645174 VSKAITXBYUPJDI-UHFFFAOYSA-N 395.897 2.901 0 1 GFAF O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)Nc1ccc(Br)cc1 4845729 WEAKHMUNEQPWFR-CJXOWJITSA-N 391.265 2.809 0 1 GFAF CC(=O)Oc1ccccc1C(=O)Oc1cccnc1C(=O)Nc1nccs1 13521957 BYJJCFXPBUDXKH-UHFFFAOYSA-N 383.385 2.935 0 1 GFAF C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 15895360 XFGIONNEHGAZPS-UJWQCDCRSA-N 399.601 2.616 0 1 GFAF COc1cc(OC)c(OC)cc1CNc1ncnc2c1ncn2[C@H]1CCCO1 40916655 GWTFLOUWTWTJIF-MRXNPFEDSA-N 385.424 2.773 0 1 GFAF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1NC(C)=O 72125005 AMUUFFZYQOMADI-UHFFFAOYSA-N 389.404 2.919 0 1 GFAF COc1c(F)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N)CC2 73292980 ZPKRBSLNTZAOAS-ZDUSSCGKSA-N 375.396 2.833 0 1 GFAF O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95866451 CQWXPMVLFQTZCV-ZFGGDYGUSA-N 390.483 2.651 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CNC(C)=O 95895057 VHZPWRJIRZNYCG-JAXLGGSGSA-N 384.451 2.694 0 1 GFAF O=C1[C@H]2CCCN2C(=O)N1CCCCNCCOc1ccc(C(F)(F)F)cc1 96933065 GZFFICOVDLXSHT-MRXNPFEDSA-N 399.413 2.881 0 1 GFAF O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@H]([C@@H]35)N2Cc1cccc(I)c1 101668990 CAYMCWKKHULDBH-LJJLULSFSA-N 391.252 2.552 0 1 GFAF CC(=O)O[C@@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O 101678118 SYLGZJOGNOSQOG-JKSUJKDBSA-N 392.839 2.548 0 1 GFAF CC(C)C(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344605 WXJKTTVGVITSOL-YTVFBIFFSA-N 395.499 2.862 0 1 GFAF NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cc2ccccc2s1 223219274 HJDDOMBYBZNDRI-NWDGAFQWSA-N 383.481 2.611 0 1 GFAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C[C@@H](O)CO)CC3)cc12 226053826 AOMPRQWVOKOUKJ-MRXNPFEDSA-N 399.466 2.910 0 1 GFAF CN1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1c1ccccc1 248022611 IOALHQVTLJSFFO-KRWDZBQOSA-N 378.432 2.954 0 1 GFAF COc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2n1 586955379 WQHWSIMORKEIPZ-UHFFFAOYSA-N 386.477 2.843 0 1 GFAF Cc1cncc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 587128624 NURSYNBIYILDFF-UHFFFAOYSA-N 376.342 2.690 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cncc(Br)c2[nH]1 587230584 IKXCSXWDSHSFNL-WDEREUQCSA-N 381.274 2.757 0 1 GFAF CN1[C@@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339763 QZCHWLZGWQDCSQ-ALHDYUKWSA-N 383.419 2.856 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(C(O)O)O2 587378144 SAFVCGWLRNXJEZ-QGZVFWFLSA-N 378.222 2.511 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)C(=O)O)n1C)[C@@H](C2)C3=O 587420639 LIJLTCCRXJEYDY-VOJFVSQTSA-N 377.343 2.873 0 1 GFAF COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441211 FKHFFIFPVLQKPN-QRQCRPRQSA-N 398.411 2.918 0 1 GFAF CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905196 YSKNFCHQHRZQNO-FXAWDEMLSA-N 393.361 2.900 0 1 GFAF COC(=O)[C@@H](C)Oc1ccc([C@H]2NCCc3c(C(=O)O)cccc32)cc1OC 963129987 HTCRWNZTFFZMCX-CWTRNNRKSA-N 385.416 2.569 0 1 GFAF O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1)c1cccnc1 1857577552 GADGWKAOJDVBMH-UHFFFAOYSA-N 399.447 2.629 0 1 GFAF COc1ccc(NC(=S)NCCCn2cncc2C)cc1OCCCCN 1857638218 AGSXIKYOBJBOSE-UHFFFAOYSA-N 391.541 2.695 0 1 GFAF Cc1cc(C(=O)N[C@@H]2[C@H](c3ccccc3C)C[C@H](O)[C@H]2O)c(C(F)(F)F)o1 2356286618 IPAIZRMGIUBVEA-ARLBYUKCSA-N 383.366 2.923 0 1 GFAF O=S(=O)(c1ccccc1)N1C[C@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356298845 FSVYMDSZOVQGDL-WMLDXEAASA-N 376.409 2.756 0 1 GFAF CCCCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccc(F)cc2)nn1 2356300659 OFNIOSJUZRLBFG-JRGCBEDISA-N 399.514 2.787 0 1 GFAF COc1ccc([C@@H]2Oc3cc4c(c(O)c3C(=O)[C@@H]2O)C=CC(C)(C)O4)c(O)c1 2356558197 OQSRDCNFGHUSPF-PMACEKPBSA-N 384.384 2.968 0 1 GFAF Cc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3ccccn3)c(C)o2)cc1 4924709 GODWRFIRFLSTMB-HHHXNRCGSA-N 383.473 2.919 0 3 GFAF aggregator C[C@H](NS(C)(=O)=O)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181920 VRPOKYQSMJMPDT-YJBOKZPZSA-N 379.551 2.549 0 3 GFAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(Nc4ccccc4)oc23)[C@H](O)C1 100371703 CSPOYMBTEMGPFC-SUMWQHHRSA-N 382.416 2.728 0 1 GFAF CCOC(=O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1 28958904 VSUOVIRJAATASJ-UHFFFAOYSA-N 376.214 2.676 0 1 GFAF O=C(NC1CCCCCC1)c1cn(CCN2CCOCC2)c2ccccc2c1=O 28962218 JJGFVBTZCMHDAQ-UHFFFAOYSA-N 397.519 2.786 0 1 GFAF CN1CCN=C1c1ccc(NC(=O)Nc2ccc(C3=NCCN3C)cc2)cc1 45230214 JZLYTSGXEBODGI-UHFFFAOYSA-N 376.464 2.715 0 1 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@@H]1CC[C@@H](O)C1 1911578843 RRLQWYCNAUBUTL-NXEZZACHSA-N 380.330 2.701 0 1 GFAF CC[C@H](C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@H](N)CO 14612886 BGAKAGZZLOJFNF-QFBILLFUSA-N 386.533 2.609 0 1 GFAF biogenic CC[C@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(F)cc2)n1 82140979 LRWWICXEOGDXSM-AWEZNQCLSA-N 399.470 2.797 0 1 GFAF Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)NC4CCCC4)cc3)c12 84653912 YBNKCSHNICXYCG-UHFFFAOYSA-N 379.424 2.628 0 1 GFAF O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc(-c3cnccn3)no2)CC1 43021410 RUMNCJSUPKAMTM-IAGOWNOFSA-N 390.447 2.972 0 1 GFAF O[C@@](CNCc1cccnc1)(Cn1cncn1)c1ccc(Cl)cc1Cl 40828925 VGTFBBLRDLNLOA-KRWDZBQOSA-N 378.263 2.658 0 1 GFAF O=C(C(=O)N1CCC(CNC(=O)c2cccnc2Cl)CC1)c1cccs1 199720804 BHBDJCKDHLCOKH-UHFFFAOYSA-N 391.880 2.648 0 3 GFAF COC[C@H]1CCCN1c1ccc2c(c1)O[C@H](C)CCN(C1CC1)S2(=O)=O 96019139 ULVUGDVDJFRDSM-RHSMWYFYSA-N 380.510 2.626 0 3 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCCC(=O)O)c2ccccc21 587401151 SRMJBBPXRBHDNT-OAQYLSRUSA-N 380.400 2.649 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(C(O)O)O2 587378143 SAFVCGWLRNXJEZ-KRWDZBQOSA-N 378.222 2.511 0 1 GFAF CCOC(=O)[C@@]1(c2ccc(OC)cc2C)NCCc2ccc(C(=O)N(C)C)cc21 962920424 AUVBNBFXNQZXGT-QHCPKHFHSA-N 396.487 2.658 0 1 GFAF CC(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)=C(O)[C@@H]1C(C)C 5992923 VDAJVMRNGOTJEB-INIZCTEOSA-N 391.493 2.924 0 1 GFAF O=C1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H](O)c2cc(O)cc(O)c21 14637628 QLUPKRIWOVDUPU-XLIONFOSSA-N 380.352 2.625 0 1 GFAF biogenic O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4050434 RDIBBJLLUXLRHD-QUCCMNQESA-N 397.500 2.969 0 1 GFAF COc1ccc(Cn2cc3c(c2SC)c(=O)n(C)c(=O)n3CC(C)C)cc1 13603344 UVLUTKJFKUSFNQ-UHFFFAOYSA-N 387.505 2.937 0 1 GFAF Cc1ncc(C)c(N2CCC3(CC2)c2ccccc2[C@@H](n2ccnc2)[C@@H]3O)n1 23192524 CMZZXABOXJWYMK-UXHICEINSA-N 375.476 2.792 0 1 GFAF CC(=O)Cc1cc2cc(OCc3ccc4ccccc4n3)cnc2n1CC(N)=O 72190169 NNJQMAFPENKSQD-UHFFFAOYSA-N 388.427 2.780 0 1 GFAF investigational CC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)NC(C)C 95895004 GADBNHUZOADWRD-ACRUOGEOSA-N 385.508 2.637 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]1CNC(=O)C1CC1 95895031 DZMKJVSMHVDZJH-BHDDXSALSA-N 396.462 2.694 0 1 GFAF O=C(NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1)c1ccncc1 95895908 XOPCKECUHROKNF-BHDDXSALSA-N 379.504 2.831 0 1 GFAF Brc1csc2c(N3CCNCC3)nc(-c3ccncc3)nc12 223686553 OJAYDVZSDVVGOY-UHFFFAOYSA-N 376.283 2.925 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C)c(C)c3[nH]2)[C@@H](C)O)cc1 586937856 UZRZJJARNVIQGF-ACJLOTCBSA-N 389.477 2.589 0 1 GFAF COC(=O)c1cccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194487 UQPWZCDRVFRXAO-AWEZNQCLSA-N 376.457 2.867 0 1 GFAF O=C1Cc2c3c(n(-c4cnc5cc(Br)ccc5c4)c2O1)OC(=O)C3 587940429 OWOHMXHTEPXXMP-UHFFFAOYSA-N 385.173 2.711 0 1 GFAF CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(-c3cnc(F)cn3)c3ccccc13)C2 1772605826 ARQJFVHNQILTSL-ZIAGYGMSSA-N 396.422 2.578 0 1 GFAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O)C1CCC1 2356286923 SQCIGRLJHPPUDW-GGPKGHCWSA-N 388.439 2.848 0 1 GFAF COC(=O)c1ccc2nc(CO[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3F)[nH]c2c1 2356301363 ABZZZSVUBIZODR-CRAIPNDOSA-N 397.406 2.729 0 1 GFAF C[C@@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 2356319695 YJEDHPUODRFJFV-CQSZACIVSA-N 396.422 2.891 0 1 GFAF Cc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1 5005384 OPWCBTMAIUFXQZ-UHFFFAOYSA-N 391.493 2.854 0 1 GFAF CC(C)(C)c1ccc(CC2(N)CCN(c3ncnc4nc(O)[nH]c34)CC2)cc1 45364117 CENSOIHHGQYIKW-UHFFFAOYSA-N 380.496 2.896 0 1 GFAF COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(O)cc2OC)cc1N 84597132 ZZZMKDZTYGGEED-VOTSOKGWSA-N 379.434 2.586 0 1 GFAF Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2nccs2)c1 95598167 IJEXEUSITATEGK-UHFFFAOYSA-N 381.461 2.837 0 1 GFAF CC(C)n1cc(-c2cc(-c3cccc(C(=O)N4CCOCC4)c3)cnc2N)nn1 143843662 LUCSEMAKOGAXJM-UHFFFAOYSA-N 392.463 2.643 0 1 GFAF CN(C)C1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144720862 ORSJZTVVMFUVAI-LJQANCHMSA-N 376.378 2.851 0 1 GFAF Cc1nc(C(C)(C)NC(=O)c2ccc(C3(O)CCC3)c(OCC3CC3)n2)no1 206696430 SOCQPSFVXLOQJK-UHFFFAOYSA-N 386.452 2.598 0 1 GFAF COc1ccc([C@]23OC[C@]24[C@@H](CO)[C@H]4Cc2cc(OC)c(OC)cc23)cc1OC 253634668 IJIWCXXEKDKLBN-YHFSLCLQSA-N 398.455 2.776 0 1 GFAF COc1cc(Br)c([C@@H](N)c2nc3nc(Cl)c[nH]c-3n2)cc1OC 586976072 SQDYZPRAFIZHAY-LLVKDONJSA-N 398.648 2.786 0 1 GFAF COC(=O)Cc1cc(OC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OC 587944440 BZANNORSROACNI-UHFFFAOYSA-N 385.395 2.730 0 1 GFAF CCOC(=O)COc1ccccc1[C@@]1(C)NCCc2ccc(C(=O)N(C)C)cc21 962930726 MIQCGOAZCPHPID-HSZRJFAPSA-N 396.487 2.740 0 1 GFAF O=C1N[C@@H]2[C@H](CCCCCc3cn(Cc4cccc(F)c4)nn3)SC[C@@H]2N1 1772609179 RJRZSEAZACQQJO-BZSNNMDCSA-N 389.500 2.734 0 1 GFAF COc1cc(/C=C2\C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1O 1857651469 OIASRMSRHFGEMV-IJENKCAZSA-N 384.384 2.937 0 1 GFAF CCOC(=O)C1=C(OCC)C(=O)O[C@@H]1c1c(Cl)c2ccccc2oc1=O 1911578434 BHNUYBKONCLZOA-CQSZACIVSA-N 378.764 2.898 0 1 GFAF CCN(C)C(=O)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 206017791 SFWJWSIKDQWRDP-UHFFFAOYSA-N 396.369 2.649 0 3 GFAF c1ccc(-c2cc(N3CCC4(CC3)OCCO4)nc(-c3ccccn3)n2)nc1 1503810 WQBHFTGKOYMXLG-UHFFFAOYSA-N 375.432 2.944 0 1 GFAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NCC2CCCCC2)c1=O 25223853 KFHDDRNPJGBZFZ-MSOLQXFVSA-N 387.524 2.823 0 1 GFAF biogenic O=S(=O)(Nc1ccc(Cl)cc1)NS(=O)(=O)Nc1ccc(Cl)cc1 28017744 XEJZHFBSDRYZHS-UHFFFAOYSA-N 396.277 2.597 0 1 GFAF COCCC(=O)N1C[C@H](c2nc(-c3ccc(F)cc3)no2)C2(CCOCC2)C1 96310338 DUSHWZDDLBQIMK-MRXNPFEDSA-N 389.427 2.635 0 1 GFAF OC12C[C@H]3C[C@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1F)(C3)C2 101134960 IJBCBNGKYORYDI-USYNBTAQSA-N 376.476 2.827 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccc(F)cc3)C2=O)cn1 115731139 YKPAGGHRTKCGCP-UHFFFAOYSA-N 383.383 2.644 0 1 GFAF O=C(NCCc1ccccn1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167202536 OULLWWUFULJZHG-UHFFFAOYSA-N 388.471 2.607 0 1 GFAF CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1 169689793 KIMNGRGQSXOADQ-UXHICEINSA-N 393.487 2.683 0 1 GFAF C=c1[nH]n(-c2ccccc2)c(=O)/c1=C1\C=C(C)N(c2ccc(Cl)cc2)C(=O)O1 169727394 LMVORQHJOFMGGN-VHEBQXMUSA-N 393.830 2.898 0 1 GFAF CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(-c4ccncc4)cc23)c1 204891382 UKXBJWFWOIBXLA-UHFFFAOYSA-N 380.433 2.672 0 1 GFAF CCNC(=O)Nc1cc(N2CCN(C)CC2)c(C(=O)Nc2cccc(C)c2)cn1 299824608 HWVTWQJLOAZAOZ-UHFFFAOYSA-N 396.495 2.536 0 1 GFAF Cc1cc([C@@H]2CN(C(=O)c3ccc(F)cc3)CC(F)(F)C2)n2ncnc2n1 584905392 IWFCNIDUKUQMFM-ZDUSSCGKSA-N 375.354 2.837 0 1 GFAF in-vitro COc1nccc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c12 586954529 FBVRGGVDDFLKNG-UHFFFAOYSA-N 386.477 2.843 0 1 GFAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 587042483 KVINNNJPCCTDQE-OAHLLOKOSA-N 397.851 2.848 0 1 GFAF CC(C)Oc1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1 587227782 WZYVFVRXZMKNSL-UHFFFAOYSA-N 396.447 2.893 0 1 GFAF COc1ccc(S(=O)(=O)Oc2cc(CSc3ccccn3)[nH]n2)cc1 653889540 KKZGNRGXZQNYDK-UHFFFAOYSA-N 377.447 2.873 0 1 GFAF NCc1ccc2c(c1)CC[C@@]21N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962638449 UCDVWJOYPCNVJK-HNAYVOBHSA-N 392.377 2.833 0 1 GFAF C[C@H]1O[C@]2(OCc3ccc(Cc4cc5ccccc5s4)cc32)[C@H](O)[C@@H](O)[C@@H]1O 1857561755 DABMMHZNLLRVFF-IGLWBYBESA-N 398.480 2.677 0 1 GFAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 2356559942 KRAGWAXBWDXNLG-IZZBFERCSA-N 386.540 2.629 0 1 GFAF CCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1 3005837 MFENPWNBLWTGAA-UHFFFAOYSA-N 379.478 2.859 0 3 GFAF O=C(C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1)N1CCCCC1 2460791 VOKQKCUXQMYVJV-UHFFFAOYSA-N 375.494 2.570 0 1 GFAF O=C(Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)OCc1ccccc1 3583345 WGAKIVBHHUJLPJ-UHFFFAOYSA-N 387.373 2.651 0 1 GFAF O=C(Nc1ccc2c(c1)CN(C(=O)CSc1ccccn1)CC2)[C@@H]1CCCO1 11665110 NTDPWQOSVVYYRU-SFHVURJKSA-N 397.500 2.876 0 1 GFAF COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(=O)(=O)c1ccccc1 13833648 UDJFUPPIMHPAPB-PBHICJAKSA-N 393.848 2.781 0 1 GFAF COc1cc2c(cc1OC)[C@@]1(Cc3c(ccc4c3OCO4)[C@@]1(C)O)N(C)CC2 14684973 YSYUQMOGFFJWGB-FGZHOGPDSA-N 383.444 2.580 0 1 GFAF biogenic C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 14782158 BMPRGPGLZWJNOP-XOTQNMMISA-N 378.465 2.897 0 1 GFAF endogenous,in-man O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21 82181572 RPZHFYDXYFNCIE-UHFFFAOYSA-N 380.452 2.921 0 1 GFAF O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 95795767 TXHMBMBLGXUFEJ-FUDKSRODSA-N 394.515 2.942 0 1 GFAF Cn1ccc(C(=O)N(C)[C@H]2CC[C@H]([C@H](N)Cc3cc(F)ccc3F)CC2)n1 101403232 GKRYDWZPJSMUJG-RPVQJOFSSA-N 376.451 2.899 0 1 GFAF O=C1O[C@H](c2ccccc2)C(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 103208209 NGKFPBYOWOUBLD-LJQANCHMSA-N 383.423 2.668 0 1 GFAF CCOC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)cc1C 169326241 MBTFFCDXRNOJJC-UHFFFAOYSA-N 391.405 2.550 0 1 GFAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCCCO)CC(=O)O1 253641035 NZGUMCZAKJOCSW-ZJNNMKFESA-N 386.554 2.671 0 1 GFAF CCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)cc([C@H]3CCCO3)c2[nH]1 299841438 ZVIYSCPSTJWANT-MRXNPFEDSA-N 381.436 2.922 0 1 GFAF COc1ccc(OC[C@@H](O)CN2CCC(N3Cc4ccccc4C3=O)CC2)cc1 473144610 BOXIFJWEKQNIOS-IBGZPJMESA-N 396.487 2.555 0 1 GFAF COC(=O)c1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cn1 586997021 LMMDXNABWWSXFG-LLVKDONJSA-N 375.226 2.750 0 1 GFAF CC(=O)Nc1nn2c(=O)cc(-c3ccc4n[nH]cc4c3)[nH]c2c1-c1ccccn1 653671938 VZYYVXANZYTIDL-UHFFFAOYSA-N 385.387 2.586 0 1 GFAF CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962960442 GICIWAFHAWZTBJ-IDNVEREDSA-N 385.794 2.632 0 1 GFAF COc1ccc2c(c1)[C@](CC(=O)c1ccnn1C)(c1ccnn1C)N[C@H]1CC[C@@H]21 962998801 WAXAFBKDPYBGRT-SGXKBVARSA-N 391.475 2.528 0 1 GFAF CCC[C@@]1(CNC(=O)OC(C)(C)C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522712 GLHZOUASHWWOQW-XOBRGWDASA-N 378.469 2.820 0 1 GFAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CC3)CC2)c1)c1cncc(F)c1 1772620586 WQXMWORONPXFJH-UHFFFAOYSA-N 396.466 2.964 0 1 GFAF COC(=O)c1ccc2nc(CO[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3F)[nH]c2c1 2356301365 ABZZZSVUBIZODR-MAUKXSAKSA-N 397.406 2.729 0 1 GFAF CC(C=C[C@H](O)CC=C(C)C=C[C@H](O)C[C@@H]1OC(=O)C(C)=C(O)[C@@H]1C)=CCO 2356327822 JGMRIWYAEMPDLG-LMCOJAPRSA-N 392.492 2.879 0 1 GFAF CN1C[C@@H](NC2CCC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356392806 PTQNFKCLANZGJV-BEFAXECRSA-N 393.478 2.740 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3C(=O)C[C@@H](C)[C@H]2[C@H]3[C@]1(C)COC(C)=O 2356524860 PVAHTNYAMKYLCM-TXSZOVJDSA-N 392.492 2.676 0 1 GFAF CCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)CCC3 2467496 JPSATZSAWXUXRH-UHFFFAOYSA-N 397.500 2.571 0 3 GFAF Cc1cccc(Cc2nnc(CCC(=O)NCc3cnc4ccccn34)o2)c1 12303149 VRUKJVDYRXMMPB-UHFFFAOYSA-N 375.432 2.866 0 3 GFAF CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 169341758 VLRZETWFCNUIAS-IBGZPJMESA-N 394.479 2.614 0 3 GFAF C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C[C@H](O)c3ccccc3)CC(=O)N21 6415491 PNJBYUKBHJXKKR-XMCHAPAWSA-N 389.455 2.558 0 1 GFAF biogenic NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCC[C@H](N)C2)c1 58582450 WMFOYAZROOMVDL-KRWDZBQOSA-N 394.523 2.915 0 1 GFAF CCOc1ccccc1-n1c(CN2CCCNCC2)nc2ccccc2c1=O 72124540 KQKLUZQUFDIROG-UHFFFAOYSA-N 378.476 2.580 0 1 GFAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](C(=O)O)C3)cs2)c1 82081233 XMZXFUSJABOASK-NSHDSACASA-N 376.434 2.764 0 1 GFAF CN1CCN(Cc2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1 114897205 WYPLTVNNEJMOPP-UHFFFAOYSA-N 387.480 2.765 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@H](CCCc3ccccc3)C2=O)cn1 115731137 LBWNGHMRSQKCFA-LJQANCHMSA-N 393.447 2.984 0 1 GFAF Cc1ccc([C@H]2CCN(C(=O)OC3[C@H]4CC5C[C@H]3CC(C(N)=O)(C5)C4)C2)nc1 147308058 KPUOLIHZAPNOOC-GPBJIOSFSA-N 383.492 2.996 0 1 GFAF CC(=O)O[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 255262811 RONVFHDKERFTPP-SXKUNMMFSA-N 394.552 2.899 0 1 GFAF CCn1cc(Br)c(Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)n1 587000671 PGNUSRWLFRGESU-UHFFFAOYSA-N 383.271 2.536 0 1 GFAF N=C(N)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587113905 WXBMAVINSZVQMU-UHFFFAOYSA-N 386.341 2.568 0 1 GFAF Nc1cccc(-c2nc3cc(I)cnc3[nH]2)c1C(=O)O 587248451 QCJFMCWZBVTBFE-UHFFFAOYSA-N 380.145 2.510 0 1 GFAF O=c1c(-c2ccc3c(O)nc(O)nc3n2)c[nH]c2ccc(Br)cc12 587366988 RTKGYWFEGFGXPE-UHFFFAOYSA-N 385.177 2.707 0 1 GFAF CCOC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437364 YWNKCYCIHRKZNH-IVZQSRNASA-N 395.411 2.952 0 1 GFAF COC(=O)/C(=C/N(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574609 XWADELIEQPESBN-MASAAUNCSA-N 383.400 2.731 0 1 GFAF Cc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587610035 PFOUWYJNKUUMSE-XMSQKQJNSA-N 378.380 2.868 0 1 GFAF COc1ccc2c(c1OC)[C@@](Cc1nc(N)n[nH]1)(c1ccccc1)N(C)[C@@H](C)C2 962576144 WNAAEVVHIJLICD-RCDICMHDSA-N 393.491 2.767 0 1 GFAF CCOC(=O)N[C@H](n1cnc2c(N)nc(Cl)nc21)C(Cl)(Cl)Cl 1857534736 NIFUAKISQCNUPE-SSDOTTSWSA-N 388.042 2.677 0 1 GFAF Cc1ccnc(N2CCC(c3[nH]nc4c3[C@@](O)(C(F)(F)F)CC(=O)N4)CC2)c1 1857575299 OKSHXIBGUGDOHQ-QGZVFWFLSA-N 395.385 2.589 0 1 GFAF Clc1ccc(-c2nc3ccc(-c4nn[nH]n4)cn3c2CN2CCOCC2)cc1 1857773728 FHEHTUSEMAIEHZ-UHFFFAOYSA-N 395.854 2.667 0 1 GFAF Cc1nnc(SCC(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)s1 11665293 HDJRGPDHMLXDDZ-CYBMUJFWSA-N 392.506 2.770 0 1 GFAF Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1 13610478 ZAFFVUHUTAMYCX-UHFFFAOYSA-N 388.435 2.649 0 1 GFAF CCc1nc2ccccc2c(=O)n1CCCNC(=O)[C@@H]1CC(C)(C)NC1(C)C 40466894 IDZZJRYGIJSJJH-INIZCTEOSA-N 384.524 2.632 0 1 GFAF CCc1ccc(CC(C)(C)NC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)cc1 45245510 YGZMWTZAPLFLCO-GOSISDBHSA-N 384.476 2.930 0 1 GFAF CCc1c(Br)cc(O)c(OC)c1C(=O)NC[C@@H]1CCCN1CC 64446691 OFVIWVBNYVKRLE-NSHDSACASA-N 385.302 2.940 0 1 GFAF O[C@@H](CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 64548667 XLYXYLPVZZDCFZ-INIZCTEOSA-N 384.505 2.690 0 1 GFAF O=C(O)c1cc2cc(Br)cc(C(=O)NCC3CCNCC3)c2o1 71294501 JQSPCDBDHCGFCA-UHFFFAOYSA-N 381.226 2.623 0 1 GFAF Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccc1O)c1cn(C)cn1 71333068 VYENVOZAKAKNOI-LJQANCHMSA-N 378.432 2.852 0 1 GFAF COc1ccc(-c2ocnc2C(=O)NCC2CCC(C(=O)N(C)C)CC2)cc1 73297533 TZAUPBRGIYRMHZ-UHFFFAOYSA-N 385.464 2.975 0 1 GFAF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2cccs2)n1 82082995 KWCKSLCQJGEOEJ-ZDUSSCGKSA-N 379.482 2.844 0 1 GFAF CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1cccc(F)c1 95895091 SUQATUZGUAXXSW-QHAWAJNXSA-N 384.451 2.663 0 1 GFAF O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 95900802 VBPXJTQPFOPDPZ-IHMNZUQTSA-N 398.415 2.800 0 1 GFAF O=C(O[C@H]1C=C[C@@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1)c1ccccc1 103300271 YTSNWZDQHQNOFZ-UXHICEINSA-N 388.423 2.785 0 1 GFAF Cn1c(N2CCN[C@H](c3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O 116770367 NBJNGXLGSCSWMZ-SFHVURJKSA-N 381.867 2.647 0 1 GFAF Cc1cnc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cn1 168182702 WDDVGKDLZBURBN-UHFFFAOYSA-N 375.432 2.590 0 1 GFAF CCOC(=O)[C@H]1/C(=C/N2CCSCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C 169690563 COLMAMLUXGBJKQ-LBXHQRELSA-N 389.521 2.727 0 1 GFAF O=C(NCc1ccc(Cl)cc1Cl)N1CC2(C1)CN(c1ncccn1)C2 205431628 COEQVCNZOXVPHM-UHFFFAOYSA-N 378.263 2.815 0 1 GFAF CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC1CCOCC1 263620845 OLSMYKUQDJESEU-UHFFFAOYSA-N 384.432 2.622 0 1 GFAF in-vitro O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1cccc(CN2CCCC2)c1 473165967 CTBADTHSXHISSM-UHFFFAOYSA-N 377.492 2.813 0 1 GFAF CS(=O)(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005794 SWXQKWQXSOMOGQ-UHFFFAOYSA-N 387.646 2.839 0 1 GFAF N=c1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c[nH]1 587155941 JGBQBCKTSGMRRA-UHFFFAOYSA-N 383.408 2.977 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cnn(-c3ccccc3)c1)(C(=O)O)O2 587392647 UTANHHJIMHMBFA-NRFANRHFSA-N 377.400 2.794 0 1 GFAF COC(=O)C[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586616 IXTJOEXWXNPZRN-WIYYLYMNSA-N 392.367 2.602 0 1 GFAF COc1cc(OC)c(OC)cc1C[C@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962894046 HBKGXDYDXWNBDK-BTYIYWSLSA-N 389.423 2.908 0 1 GFAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H]([C@@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 962916289 CRCGUNQMYNXFFV-SZMVWBNQSA-N 379.391 2.856 0 1 GFAF CCNC(=S)Nc1cc(-n2cnc(CN(C)Cc3ccccc3)c2)ncn1 1772645551 PBQSTOKEPYJKSJ-UHFFFAOYSA-N 381.509 2.601 0 1 GFAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)Cc3sc(=N)[nH]c3[C@H](C)[C@H]2[C@H]1O 2356313686 SIMZXEAFDQBOMQ-NPTRKBNKSA-N 377.554 2.867 0 1 GFAF CCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)NCCCN(C)C)cn12 61925646 SOCBDQMQEDGVTI-UHFFFAOYSA-N 387.528 2.731 0 3 GFAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 4845880 DDYHBIRITVNHTG-OJXGSEEGSA-N 378.350 2.841 0 1 GFAF O=c1cccc2n1C[C@@H]1C[C@@H]2CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 100800488 ODEGXYDNMCOGBB-VXGBXAGGSA-N 399.299 2.963 0 1 GFAF COc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NCC(C)C)sc1=O 61929644 DKGZYNNMQDCKEU-UHFFFAOYSA-N 376.478 2.864 0 3 GFAF COc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1COc3ccc4c(c3[C@H]1O)CCCO4)CO2 2356500751 AYFYREJCCXAGKG-QDGJQWLKSA-N 384.428 2.804 0 1 GFAF CC=C1CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H](COC(C)=O)[C@H]1C[C@@H]24 2356592927 PTRWORWVJKGZCI-JKRYIOFBSA-N 380.488 2.893 0 1 GFAF O[C@H](COc1cccc2ncccc12)CN1CCN(Cc2ccccc2)CC1 22934445 HXDJWAVEZFAPDV-FQEVSTJZSA-N 377.488 2.792 0 1 GFAF Cc1ccc(C(=O)NC2CC2)cc1-c1cnc2c(c1)NC(=O)C21CCOCC1 72180064 PMWBLCWHEYJAND-UHFFFAOYSA-N 377.444 2.950 0 1 GFAF COC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O 34804610 ZPJLWUGRTVIDEI-UHFFFAOYSA-N 394.258 2.951 0 1 GFAF in-vitro O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cc1 73141404 SKUZPXBUUICCBZ-UHFFFAOYSA-N 383.376 2.618 0 1 GFAF Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccs4)C[C@@]34C=C[C@H]2O4)cc1 226569507 HSUDKTFLDVWKLH-MOXWOTFGSA-N 394.496 2.655 0 1 GFAF Nc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085173 OOOXVYKJWOAULY-MRXNPFEDSA-N 396.472 2.906 0 1 GFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F 95893656 QAQHZZQWCPTAPX-AQNXPRMDSA-N 397.450 2.733 0 1 GFAF COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2C(c3ccccc3C)=NO[C@H]2C1 263590319 LHLQMESWFCOITP-AEFFLSMTSA-N 386.473 2.736 0 3 GFAF COC(=O)C[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586614 IXTJOEXWXNPZRN-RXVVDRJESA-N 392.367 2.602 0 1 GFAF CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451550 IBXPLXGBJJWFHN-QRQCRPRQSA-N 396.395 2.672 0 1 GFAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(O)nc(S)nc3[nH]2)cs1 587020853 ZACMSBWVUISYEU-UHFFFAOYSA-N 380.455 2.742 0 1 GFAF Cc1cccc2c1[C@@]1(N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)C(=O)N2 962628760 HNLBHJDYBJHWRY-XIKOKIGWSA-N 392.333 2.688 0 1 GFAF CCc1nc(Br)c[nH]c1=NS(=O)(=O)c1ccc(Cl)s1 1857747909 SWMVCXQPVYEARU-UHFFFAOYSA-N 382.692 2.739 0 1 GFAF CCN(C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)S(C)(=O)=O 149589129 VGBGXCYCEWBKNY-CQSZACIVSA-N 382.432 2.715 0 1 GFAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3nnn[nH]3)cc2)c1C 13437986 GIPHHFOUPLKPNT-UHFFFAOYSA-N 396.432 2.939 0 1 GFAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 207161534 ZNJXCUJSFQGQJE-UHFFFAOYSA-N 383.901 2.922 0 1 GFAF CC(C)c1cn2cccc(C(=O)NC[C@H]3[C@@H]4CN(C5CCOCC5)C[C@H]34)c2n1 1857644095 MFSOMEXJBQJRFZ-LDLYASANSA-N 382.508 2.544 0 1 GFAF CC(C)=CCC[C@@H](C)C=CC=C(C)C(=O)NC(=N)NCCCCNC(=N)N 2356486863 HKFHCLUMLQKJJJ-MRXNPFEDSA-N 376.549 2.775 0 1 GFAF Cc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5cccs5)C(=O)[C@H]24)O3)cc1 4576167 HSUDKTFLDVWKLH-NXWNEQKCSA-N 394.496 2.655 0 1 GFAF COCCN1C(=O)[C@H]2C[C@@H](CN2C(=O)Nc2ccccc2)Oc2ccccc21 2356403257 DDCKFBOWTKOYOD-FUHWJXTLSA-N 381.432 2.733 0 1 GFAF CC(C)NC(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356287356 HQDAZGPRTONRNK-LMMKCTJWSA-N 391.443 2.639 0 1 GFAF CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C1=O 25395767 LDFNPLDMEUZCKT-JGJJRYOWSA-N 389.471 2.924 0 1 GFAF NC(=O)/C=C/c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Br)cc1 103230716 BUZXCHPAHWCWNV-XBXARRHUSA-N 385.217 2.677 0 1 GFAF NS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc(F)cc3F)n2)c1 28950559 JYOWTZHCFGOHFU-UHFFFAOYSA-N 377.376 2.889 0 1 GFAF CCN(CC)CC[C@@H]1CN(C(=O)COc2ccccc2)CC[C@H]1CC(=O)O 2356840386 MQHUDIXXEICHEC-ZWKOTPCHSA-N 376.497 2.737 0 1 GFAF CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)CO)[C@H]2CC1 70454750 KWIJYAKGYJADGK-BHXFFAOXSA-N 380.525 2.823 0 1 GFAF biogenic,in-vitro CS(=O)(=O)N1CCC(N[C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72100828 JYLFJBUYLNEPFH-SFHVURJKSA-N 397.903 2.977 0 1 GFAF Nc1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@@H]4O)nc2)c1 49069324 UHXPSDJNBUIHJO-IBGZPJMESA-N 391.427 2.609 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccco2)n1 82142122 JIXMLQSRBQPSBC-CZUORRHYSA-N 385.468 2.593 0 1 GFAF CCc1cc([C@H]2[C@@H]3CN(CCO)C[C@@H]32)cc(-c2cnc(N)c(OC(F)F)c2)n1 653775787 OIZZBDQDKACUGT-HWWDLCQESA-N 390.434 2.527 0 1 GFAF Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCNCC5)nc34)cc2)cn1 653834546 NFDTYIAEGUXEIR-UHFFFAOYSA-N 398.470 2.743 0 1 GFAF COc1ccc(C=O)c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1OC 587793822 LKKGABLTMHIHCD-UHFFFAOYSA-N 380.448 2.811 0 1 GFAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(C)(C)C 587204848 MNAZJYYHOXJZCW-CQSZACIVSA-N 396.513 2.692 0 1 GFAF COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587404091 UYVPFYNPAJSRHO-OAQYLSRUSA-N 383.400 2.579 0 1 GFAF Cc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587610030 PFOUWYJNKUUMSE-AVRDEDQJSA-N 378.380 2.868 0 1 GFAF COc1cc(OC)c2[nH]c(CNS(=O)(=O)/C=C/c3ccc(C)cc3)nc2c1 586940711 DCKOMWWYNBDSQA-CMDGGOBGSA-N 387.461 2.979 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CO)c1ccccc12 587766219 FWFYTMHSDZVLBB-YPMLDQLKSA-N 391.240 2.662 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N2CCOCC2)N1 587764334 DLUVWMYZPVDFSW-APPDUMDISA-N 385.277 2.587 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(=N)[nH]cc32)N1 587748993 ZHUQVZFOQKRDOV-XYZCENFISA-N 377.261 2.905 0 1 GFAF O=C1C[C@@]2(C(=O)N1)c1ccccc1C(=O)N2Cc1ccc(Cl)c(Cl)c1 13651420 CYCKDKJWDWBQNS-SFHVURJKSA-N 375.211 2.891 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1O 14646752 DZBHCHXEAGTVGF-CABCVRRESA-N 386.400 2.713 0 1 GFAF biogenic,in-vitro O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCC1 169704190 VICTZKCFLVXPBL-QGZVFWFLSA-N 380.427 2.841 0 1 GFAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NC[C@@H]3CCOC3)cc1)C2 166194619 LBEZZMDVFAUHIA-INIZCTEOSA-N 390.443 2.872 0 1 GFAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@@H]1c1ccccc1Cl 1857603351 QJJDIUNMMGRAIA-QGZVFWFLSA-N 393.852 2.620 0 1 GFAF CC(C)c1nc2c(C(=O)NCC3CCN(CC4CCOCC4)CC3)cccn2n1 1857639402 GUUZLWKUHIFJOM-UHFFFAOYSA-N 399.539 2.721 0 1 GFAF O=C(N[C@H](CO)[C@H](O)c1ccccc1)[C@@H]1C[C@H](CCC2CCCCC2)CCN1 218773284 PENBWBSQIIAKHU-FVTFTPSCSA-N 388.552 2.926 0 1 GFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 102627176 ZZTMQFYXUCRZOR-OHHBCXFOSA-N 395.436 2.766 0 1 GFAF C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C/N=c2\c(N3CCCC3)c(O)c2=O)cc1 103009140 SEDJGOBAIVRBMG-DVTVIWKVSA-N 395.503 2.638 0 1 GFAF CC(=O)Nc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cc1 2356299914 QIELWXWKCXEVGB-WMZOPIPTSA-N 383.427 2.655 0 1 GFAF COc1cc(C(N)=O)c2ncnc(N[C@@H](CN(C)C)c3ccc(F)cc3)c2c1 114346510 IWGIUZSSSYNTCU-KRWDZBQOSA-N 383.427 2.591 0 1 GFAF CS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 27213967 LPTNTAAXZTVFRG-UHFFFAOYSA-N 399.881 2.994 0 1 GFAF COc1cc(CCc2cc(OC)c(O)c(OC)c2OC)c(OC)c(OC)c1O 2356721956 ULIOCVSRDTXGQE-UHFFFAOYSA-N 394.420 2.935 0 1 GFAF CCC=C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1NC[C@H]42 2356784449 OQWKLIFARYBYDS-CEZAUTGHSA-N 385.460 2.627 0 1 GFAF COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)CCC3)cc1 39981547 HMDJKMQFRTZVGJ-MHZLTWQESA-N 386.473 2.510 0 1 GFAF O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@H](O)CN1CCOCC1 73166193 FMDWTOWYUWJTFT-LJQANCHMSA-N 387.451 2.713 0 1 GFAF CCCc1nc(C)c2c(N(C(=O)OC)C(=O)OC)nc3ccc(OC)nc3n12 49034641 PEQGFUKWBJHWJI-UHFFFAOYSA-N 387.396 2.886 0 1 GFAF Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1 146496680 WCLQGWQXRCNKHS-UHFFFAOYSA-N 387.447 2.954 0 1 GFAF CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CNC(=O)C1CC1 95895078 BLSCEVGOPDFIED-BHDDXSALSA-N 396.462 2.694 0 1 GFAF Cc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C)O3)cc1 95710903 FPYFRAAYXDWLDR-CSODHUTKSA-N 397.519 2.839 0 1 GFAF OCCCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1 230586442 XLIJLZCIQJERJQ-UHFFFAOYSA-N 375.476 2.938 0 1 GFAF in-vitro CC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895259 NIPDWBSESJFELC-FDFHNCONSA-N 378.472 2.555 0 1 GFAF COc1cccc(OC)c1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565306 PGURPZZTELMBEX-UHFFFAOYSA-N 392.814 2.872 0 1 GFAF C=CS(=O)(=O)N1[C@H]2CC[C@@H]1CN(Cc1ccc(OC(F)(F)F)cc1)C2 621478545 YLZUOCMSAQGWGK-OKILXGFUSA-N 376.400 2.707 0 1 GFAF COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccncc3)n2)cn1 35425439 FFZUDKOUXOIFBN-KRWDZBQOSA-N 381.436 2.889 0 1 GFAF biogenic COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(OC)c3[nH]2)c1 587231590 PIJNZXNVCLBWPT-UHFFFAOYSA-N 396.447 2.519 0 1 GFAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 586945881 CNTSHAOMPIYZNB-CQSZACIVSA-N 375.425 2.826 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)C[C@@H]1C(=O)O)[C@@H](C2)C3=O 587437922 LZTGJFAAZCIAFQ-IXFSTUDKSA-N 393.439 2.788 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(O)ccc12 587594423 KVIIMWHCHJDFFQ-UTKZUKDTSA-N 375.336 2.907 0 1 GFAF C=Cc1ccc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)cc1 586880305 FIUGJRINFYPYNI-UHFFFAOYSA-N 376.460 2.623 0 1 GFAF O=C(O)CCC(=O)N1NC(c2cccs2)=C[C@H]1c1ccc2nccnc2c1 958026448 AIMSLMGJBFETPO-INIZCTEOSA-N 380.429 2.985 0 1 GFAF COC(=O)[C@H]1CCc2occc2[C@]12NCCc1cnc3c(OC)cccc3c12 963067093 NEDZEHSLZHJHKC-ZHRRBRCNSA-N 378.428 2.961 0 1 GFAF CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 1772629411 JWVWCAKTWBMEPU-UHFFFAOYSA-N 378.432 2.765 0 1 GFAF CN1C(O)=C(C(=O)Nc2nccs2)c2cc3ccccc3cc2S1(=O)=O 13605555 BPPRQNYVKTZXQH-UHFFFAOYSA-N 387.442 2.796 0 1 GFAF COC(=O)c1cc(=O)c2cc(NC(=O)Nc3ccc4c(c3)CCN4C)ccc2[nH]1 1857763499 YZQQPNXNHQMAKI-UHFFFAOYSA-N 392.415 2.951 0 1 GFAF CN1CCN([C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)CC1 22859377 RKWUYOJWRZWYOD-XBUBOJNLSA-N 388.596 2.897 0 1 GFAF COc1ccc(-c2c[nH]c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1OC 29130751 YYFZLGGXRJIRPG-UHFFFAOYSA-N 386.404 2.876 0 1 GFAF CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(C)CC3)oc(=O)c12 43060464 COLWWQZRZLWNLJ-UHFFFAOYSA-N 380.448 2.573 0 1 GFAF Cc1cc2nnn(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)c2cc1C 49807981 AKRKUUNWYVEKJB-LJQANCHMSA-N 384.390 2.506 0 1 GFAF CC(C)N1CNc2c(Nc3cccc(Br)c3)nc(NCCO)nc21 70719131 RFHNBGIPYPYPMQ-UHFFFAOYSA-N 393.289 2.985 0 1 GFAF CCNC(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72103361 INDBWMVRQCGEDA-KRWDZBQOSA-N 377.851 2.706 0 1 GFAF CS(=O)(=O)Nc1cccc(-c2ccc(C(F)(F)P(=O)(O)O)cc2)c1 96284997 LZTTWYHLXAKIPX-UHFFFAOYSA-N 377.305 2.952 0 1 GFAF O=C(O)[C@@H]1[C@@H](O)CCN1CCC(=O)N1c2ccccc2C=Cc2ccccc21 103212083 QVUZIKZUZGAHPR-FPOVZHCZSA-N 378.428 2.745 0 1 GFAF O=S1(=O)CCCCN1C[C@H](O)Cn1c2ccc(F)cc2c2c(F)cccc21 148577080 FRYFCYONWFKTDZ-AWEZNQCLSA-N 394.443 2.859 0 1 GFAF CC[C@]12CCCN3CCc4c(n(c5c(OC)cccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 238768219 YOPDTZWFESWRCS-HJNYFJLDSA-N 384.476 2.961 0 1 GFAF CC(=O)Nc1ccc(S(=O)(=O)NN(C)c2ccc(Br)cc2)cc1 299839680 SCTSJKKYCAATBH-UHFFFAOYSA-N 398.282 2.737 0 1 GFAF COC(=O)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586922485 PBRUBJQXEAWGQT-UHFFFAOYSA-N 384.457 2.855 0 1 GFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)cnc2[nH]1 586929860 HMKKWBCPZBCWDU-UHFFFAOYSA-N 386.355 2.512 0 1 GFAF COC(=O)c1cc(Cl)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c1 586950506 YEKGJDRORBMTOP-UHFFFAOYSA-N 393.852 2.965 0 1 GFAF O=C(Nc1nc(Cc2nc3c(O)nc(S)nc3[nH]2)cs1)c1cccs1 587018948 DACUNRYEMOZDIQ-UHFFFAOYSA-N 390.475 2.708 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3C[C@H](C(=O)O)CC3=O)c1)O2 587395819 OQBGPYRSCYWTKH-DMZKTXOQSA-N 394.427 2.895 0 1 GFAF COC(=O)[C@@H]1C[C@@]2(CCN1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587762804 UTZWKLWNHNRRAY-SIMVJXQJSA-N 385.277 2.585 0 1 GFAF CCOc1cc(-c2cccc(F)c2)nn1C1=NN/C(=C/c2ccccc2)C(=O)N1 587872051 HZCTZKJCGRSHDI-WOJGMQOQSA-N 391.406 2.968 0 1 GFAF COc1cc([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)cc(Br)c1O 1857576210 FKETVBZZCOJGKM-OLZOCXBDSA-N 392.209 2.586 0 1 GFAF COc1cccc(CNC2=C(c3cn(C)c4ccccc34)C(=O)N(C)C2=O)c1 1857598945 NKDPPQNUPUGVKP-UHFFFAOYSA-N 375.428 2.686 0 1 GFAF CC(=O)Nc1c(C)noc1C=Cc1ccc(C)c(S(=O)(=O)NC2CC2)c1 1857615942 LLUOCSWYOAFENU-UHFFFAOYSA-N 375.450 2.861 0 1 GFAF O=C(CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CSC(=O)C1)NC1CCCCC1 1378572 RLGCEFKJQHHLIM-HNNXBMFYSA-N 392.496 2.883 0 3 GFAF CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 2487108 JYBOGWYNEFQXTQ-INIZCTEOSA-N 393.553 2.833 0 1 GFAF COc1ccc(C(=O)N2C[C@H](F)[C@H](OCc3nc4ccccc4n3C)C2)cc1 2356422891 XBDNJAOAUXOSHD-QFBILLFUSA-N 383.423 2.961 0 1 GFAF COc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 6892772 JGQRLPQHULBOOF-LLVKDONJSA-N 378.475 2.606 0 3 GFAF CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCCCc1ccncc1 100043485 JMLRFOPJGOEVRD-BZSNNMDCSA-N 386.492 2.942 0 1 GFAF O=S(=O)(c1ccccc1Cl)n1cc2c3c(cccc31)N1CCNC[C@H]1C2 118364502 PJALJOKVVODHLM-CQSZACIVSA-N 387.892 2.866 0 1 GFAF C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1CCCCC1 61908737 YTUUGAWSBPOQPB-SFHVURJKSA-N 398.912 2.716 0 3 GFAF COc1cc(O)c2c(c1OC)C=CCCC(=O)[C@@H](O)CCC[C@@H](C)OC2=O 2356581733 IXWZTCKQQIAFGC-DOMZBBRYSA-N 378.421 2.862 0 1 GFAF C[C@H]1CC(=O)O[C@@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@H]12 2356596539 KBMHBZPVMGJISK-GEMFPGCGSA-N 390.520 2.718 0 1 GFAF CN(CCc1ccccn1)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 2356617645 LQQWABATLLGTPL-QZNHQXDQSA-N 392.547 2.696 0 1 GFAF CC(=O)OCCCCCCCCCC[C@@H](C(=O)O)[C@@]1(C(=O)O)CCC(=O)O1 2356792154 JJSYSSRCBRHORK-HNAYVOBHSA-N 386.441 2.922 0 1 GFAF CC(=O)Nc1ccc(Cc2noc(CCC(=O)NCc3ccccc3)n2)cc1 40916314 RNUGEFXZUVMBGH-UHFFFAOYSA-N 378.432 2.868 0 1 GFAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C[C@@H](O)CO)CC3)cc12 226099269 NDLAFOKSJSLKGG-MRXNPFEDSA-N 397.450 2.820 0 1 GFAF CC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2 82205449 GQEFZZJTVVKYFU-SFHVURJKSA-N 396.491 2.586 0 1 GFAF CN(C)C(=O)c1cccc(Nc2c(N[C@@H]3CCc4ccccc43)c(=O)c2=O)c1O 137841014 JZDCFPKBWIRDEU-OAHLLOKOSA-N 391.427 2.533 0 1 GFAF CCCCc1nnn2c1[C@@H]1c3cc(Br)ccc3CCN1C(=O)C2 199736558 XMNJJDBTEOIBSJ-INIZCTEOSA-N 375.270 2.871 0 3 GFAF O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 95900800 VBPXJTQPFOPDPZ-LBLLVPRASA-N 398.415 2.800 0 1 GFAF COCCn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccnc21 96929148 HCSGJGMYCDWKCS-UHFFFAOYSA-N 387.395 2.996 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C)([C@@](C)(OC(C)=O)C(=O)OCC)CC2=O 587488460 ZXZVOWXCLMXSJC-PMACEKPBSA-N 378.421 2.954 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1S(N)(=O)=O 587869362 HHADHETXSZIGMX-UHFFFAOYSA-N 398.366 2.609 0 1 GFAF CCOC(=O)[C@@H](Cc1cccc(OC)c1)c1nc2nc(O)nc(O)c2cc1CC 587559187 GASXZJXXGGCJDJ-HNNXBMFYSA-N 397.431 2.896 0 1 GFAF O[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)C1CCOCC1 586913096 ICIWRHMYUURVOH-SNVBAGLBSA-N 393.612 2.676 0 1 GFAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c3c([nH]c12)CCNCC3 1772625958 KHDKROFVASGHIQ-UHFFFAOYSA-N 387.443 2.909 0 1 GFAF COc1ccccc1N1CCN(CCCCN2C(=O)CSC2(C)C)CC1 13759338 DBCSZXGUOIJTRJ-UHFFFAOYSA-N 377.554 2.909 0 1 GFAF CC(=O)O[C@@H]([C@@H](O)CC(C)=CCCC(C)=CCCC(=CCO)CO)C(C)(C)O 2356405636 ZJXUGIHNAZCNTF-SFTDATJTSA-N 398.540 2.804 0 1 GFAF CC(=O)O[C@@H]1C[C@@H]2C(=O)O[C@H](c3ccoc3)C[C@]2(C)[C@H]2C[C@@H]3C[C@H](C(=O)O3)[C@@H]21 104366284 DYSOIAQEKRDXRB-HSEOUEMBSA-N 388.416 2.793 0 1 GFAF in-man COc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103245510 XCUHEQGKBQYLBY-QEBUAHALSA-N 378.494 2.673 0 1 GFAF CC(=O)OC[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100797660 MVWNKMDSLAYMKY-RLFYNMQTSA-N 381.856 2.819 0 1 GFAF O=C1NC(=O)[C@H](c2cc(Cl)ccc2S(=O)(=O)Cc2ccc(Cl)cc2)N1 28226113 JBFCCKVDWQPSBY-AWEZNQCLSA-N 399.255 2.848 0 1 GFAF COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CCC(=O)CC[C@H](O)CC(=O)C2 2356821266 FYSVSOAMDIXBBX-PWSUYJOCSA-N 398.839 2.605 0 1 GFAF O=C1[C@@H]2CCCN2C(=O)N1CCCCCCNC[C@H]1CCc2ccccc2O1 73275712 YPHKZFULFHHSKA-MOPGFXCFSA-N 385.508 2.957 0 1 GFAF COc1cccc(-c2nc(C(=O)N(CC(=O)O)Cc3ccccn3)c(C)o2)c1 40936697 ZDJWPKUOZCHSIE-UHFFFAOYSA-N 381.388 2.781 0 1 GFAF CC[C@@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F 220648489 YSEXQQPBCUWIIL-CYBMUJFWSA-N 378.835 2.603 0 1 GFAF CC1=NN(C(=O)Cn2nc(-c3ccc(C)c(C)c3)c3ccccc3c2=O)C(=O)C1 49111443 ZVQGQXQLRXEZSX-UHFFFAOYSA-N 388.427 2.815 0 1 GFAF CCc1ccc(S(=O)(=O)Nc2ccnn2-c2nc(C3CC3)ns2)cc1 146500506 XSOMDHYDYIBGDE-UHFFFAOYSA-N 375.479 2.964 0 1 GFAF COc1ccc(CN2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]3NCC[C@@H]32)cc1 25228920 OPJRQROUEXPUJC-PMACEKPBSA-N 393.443 2.597 0 1 GFAF biogenic CC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)NC(C)C 95895525 GADBNHUZOADWRD-HKBOAZHASA-N 385.508 2.637 0 1 GFAF COC1CCN(C(=O)Nc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)CC1 587558034 OETGPALCQBUILD-UHFFFAOYSA-N 395.419 2.746 0 1 GFAF Cc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1Br 587650792 DZVBRUSNRMPHIP-UHFFFAOYSA-N 381.617 2.658 0 1 GFAF COc1ccc(-c2nnc(-c3ccc4nc(COCC(=O)O)[nH]c4c3)o2)cc1 587562999 LDIJOEWLOVCFST-UHFFFAOYSA-N 380.360 2.890 0 1 GFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586925037 DZMAIDXCTYDKIZ-UHFFFAOYSA-N 390.392 2.619 0 1 GFAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCC(c3ccccc3)CC2)c1 1772578532 WDJAWISJNZICTM-KTKRTIGZSA-N 377.444 2.686 0 1 GFAF O=C(NCc1ncccc1F)c1csc(CCN=c2[nH]c3ccccc3[nH]2)n1 1857571362 CKWBCLKYZUVZLZ-UHFFFAOYSA-N 396.451 2.560 0 1 GFAF COc1ccc2c(c1)[C@@H]1NC(=S)N[C@](C)(O2)[C@@H]1C(=O)Nc1ccccc1C 103078594 OMEBMIFLGJRKPD-ABSDTBQOSA-N 383.473 2.886 0 1 GFAF CCCCN1CC2(CCN(C[C@@H](O)COc3ccccc3OC)CC2)OC1=O 28760038 AXHBFXSQBQSROO-QGZVFWFLSA-N 392.496 2.522 0 1 GFAF C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356583046 HKRMRITZYIPSSH-HDCFIJPLSA-N 378.509 2.877 0 1 GFAF CCOC(=O)C1=C2c3ccccc3[C@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@H]23 29334890 RFOSKYASXJOWGG-VQIMIIECSA-N 375.472 2.830 0 1 GFAF O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)C1CCCC1 64574018 GVBRUTKAGONHPQ-UHFFFAOYSA-N 385.508 2.573 0 1 GFAF CC1(C)CC(=O)N(CCCCN2CCN(c3nccc4occc34)CC2)C(=O)C1 34186870 JYRILLRJWNGMQR-UHFFFAOYSA-N 398.507 2.905 0 1 GFAF O=C1COc2ccc(C3=Nn4cnnc4S[C@H]3Cc3ccccc3)cc2N1 73198002 QQJNEPFCXZBMIV-INIZCTEOSA-N 377.429 2.578 0 1 GFAF CCN1CCN(Cc2ccccc2)[C@H](C(=O)Oc2c(OC)cccc2OC)C1 40434740 DBYSYAXIXBIYON-SFHVURJKSA-N 384.476 2.816 0 1 GFAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3cccn3)c2F)cn1 224571443 VXYDOCANENWBNX-CQSZACIVSA-N 383.427 2.769 0 1 GFAF CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCCC1 82082298 OFUCUKYBGMUIOO-SFHVURJKSA-N 399.447 2.837 0 1 GFAF COc1ccc2oc(=O)c(Cc3c(O)c4cc(OC)ccc4oc3=O)c(O)c2c1 45318899 VISBUWIQAVVPBB-UHFFFAOYSA-N 396.351 2.919 0 1 GFAF CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(F)cc1 299882264 PKHZZPQCBZZQHS-UKRRQHHQSA-N 399.470 2.513 0 1 GFAF CCOC(=O)Cc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 586950156 QVAMCTLPALYUAM-UHFFFAOYSA-N 387.461 2.631 0 1 GFAF CCOC(=O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590273 SCFBTDNIADZADD-KXBFYZLASA-N 380.356 2.995 0 1 GFAF CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517272 KEEHPHFDMMTJSI-HTAPYJJXSA-N 385.460 2.699 0 1 GFAF CCOC(=O)c1nn(C)c2c1CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432914 SRMSNRKKQCARNV-SZNDQCEHSA-N 382.416 2.585 0 1 GFAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc4c(cc3[nH]2)OCO4)s1 587023735 GJWZKZIAXMRLCM-UHFFFAOYSA-N 375.410 2.503 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4ccc(OC)cc4C3)n2)c1 1772648449 WACAEXNJBICZPC-UHFFFAOYSA-N 390.447 2.546 0 1 GFAF Cc1ccc(S(=O)(=O)n2c(CN3CCOCC3)nc3ccccc32)cc1C 206490957 YIXIOVOALCAWIC-UHFFFAOYSA-N 385.489 2.722 0 3 GFAF COc1cncc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-n2cccn2)n1 166595793 SRICRIMAFDRKIO-MRXNPFEDSA-N 393.447 2.933 0 1 GFAF O=C(O)Cn1nnc(-c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 1857615828 MWRLDETXWGWSBY-UHFFFAOYSA-N 380.795 2.931 0 1 GFAF O=C(O)c1cccc(-n2c(/C=C/c3cc[n+]([O-])cc3)nc3ccccc3c2=O)c1 1857620219 IZTZFZPHDZHQAP-CMDGGOBGSA-N 385.379 2.888 0 1 GFAF NS(=O)(=O)Oc1ccc2oc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1 3982040 JREFEGGQRUQPSO-UHFFFAOYSA-N 375.446 2.843 0 1 GFAF CCCCCCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2cccnc2)n1 2356322613 SFMYFMMHHYMGPT-BURNTYAHSA-N 384.524 2.609 0 1 GFAF NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)nn1-c1ccccc1 8343350 SIASZZHYJRJPRQ-HXUWFJFHSA-N 386.455 2.802 0 3 GFAF CO[C@H]1[C@H](CCC(C)C)O[C@@H](OCC(=O)O)[C@@H](OCc2ccccc2)[C@H]1OC 53313199 VAEAPLDXQLTUQK-RKFFNLMFSA-N 396.480 2.864 0 1 GFAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@@H]1O 2356315916 QRLPNJWAPSTPDF-UYZBMTDJSA-N 376.541 2.619 0 1 GFAF CO[C@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@]12CCN(C)[C@@H]3C5 101483244 DRJFACWZQYBMLO-BACAEYKQSA-N 383.488 2.647 0 1 GFAF CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(C)cc23)[C@H]1c1ccc(O)cc1 103202821 UDRDCFCIDQCGEC-MRXNPFEDSA-N 392.411 2.800 0 1 GFAF CC[C@@H](C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F 113488896 VVVJJYUNXSHGHZ-SNVBAGLBSA-N 376.413 2.868 0 1 GFAF Cc1nnsc1C1=NN[C@H]2SC(c3ccc(OC(F)(F)F)cc3)=NN12 103206368 PCOOANYQYXXJNW-GFCCVEGCSA-N 386.384 2.704 0 1 GFAF COC(=O)/C=C/[C@H](CNC(=O)Cc1ccc(O)c(OC)c1)Cc1ccccc1 26735185 NJUQNXVTRIPTAZ-CKDFRHGISA-N 383.444 2.648 0 1 GFAF C[C@]1(C(=O)NCc2cccs2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61929822 MYKYVRLEXMPWHN-OAQYLSRUSA-N 393.468 2.919 0 3 GFAF C[C@H](CN(C)C)NC(=O)c1cn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2 64504008 YUFYZTLNZSEGDI-CQSZACIVSA-N 396.539 2.615 0 1 GFAF CC[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1C=C(OC)C(=O)OC 2356754436 CHASADHUGZYMJT-DAMNHTQYSA-N 384.476 2.700 0 1 GFAF O[C@H](COc1cccc(CNc2ccn[nH]2)c1)CN1CCc2ccccc2C1 218387040 DDMRKHHIRYOUTC-FQEVSTJZSA-N 378.476 2.820 0 1 GFAF COc1c(O)cc2c(c1CCC(C)(C)O)O[C@@H]1c3ccc(O)cc3OC[C@@]21O 14713069 GOAAFLGCSWDGQK-TZIWHRDSSA-N 388.416 2.524 0 1 GFAF biogenic O=C(NCCCCCOCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 84652664 ITQQWHVJIZVMMU-UHFFFAOYSA-N 393.572 2.774 0 1 GFAF CC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2 82210185 ZHDWFWYIRACBAQ-KRWDZBQOSA-N 382.464 2.564 0 1 GFAF COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82209645 YGCMYVKFHRQCGR-GOSISDBHSA-N 398.507 2.664 0 1 GFAF CCC(=O)c1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 96941803 BYLIKFCRPYKQGH-HXUWFJFHSA-N 382.504 2.837 0 1 GFAF CC(C)(COc1cc(F)cc2ccc(-c3nnc4ccccn34)nc12)[C@@H](O)CO 96175104 VMKWYFBQMNYWFN-KRWDZBQOSA-N 396.422 2.842 0 1 GFAF COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(C)ccc3c2=O)cc1 473167401 IEJPVEWITHTUGT-UHFFFAOYSA-N 393.443 2.640 0 1 GFAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587201828 XALCZYVQQFZEOC-UHFFFAOYSA-N 396.513 2.791 0 1 GFAF CCOC(=O)c1cnc2n(c1=O)C=CC[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963105163 PJKDOYJTNMUTEV-IVZQSRNASA-N 395.434 2.698 0 1 GFAF O=C(O)CC[C@@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962899221 QPQKLLOUPQKJPF-KXBFYZLASA-N 379.334 2.811 0 1 GFAF CC(C)COC(=O)[C@H](Cn1cncn1)NC(=O)c1ccc(-c2ccccc2)cc1 1772574508 RZFUYZBHHOTDQD-FQEVSTJZSA-N 392.459 2.943 0 1 GFAF COc1ccccc1CN1C[C@H](C(=O)N(Cc2cnn(C)c2)C(C)C)CCC1=O 11814279 OBNCQKGORYCKOP-LJQANCHMSA-N 398.507 2.605 0 3 GFAF CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)c1ccc2ccccc2c1 13473330 BWGUINYTRHIFSE-NDUHVBCRSA-N 380.444 2.584 0 1 GFAF COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1C 4144808 JTYFUNWYLQZNBQ-QDUSTFBWSA-N 389.496 2.996 0 1 GFAF CC[C@H](C(=O)OC)c1cc(=O)n2c(c1C(=O)OC)[C@H]1Cc3ccccc3C[C@@H]1C2 27420268 XYBNRRYKRHDDET-IKGGRYGDSA-N 395.455 2.814 0 1 GFAF Cc1ccc(CN2C(=O)[C@@H]3CS[C@]4(C(=O)N(C)c5ccccc54)N3C2=O)cc1 66252507 PGNDLAAJABZRNP-LAUBAEHRSA-N 393.468 2.704 0 1 GFAF Nc1nc(SCc2ccccc2)nc2c1nc(O)c(=O)n2Cc1ccccc1 40392633 CCQMPJHOMKFSTQ-UHFFFAOYSA-N 391.456 2.815 0 1 GFAF COc1cccc([C@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c1 45245138 SSQFHHTZOZJMGM-HXUWFJFHSA-N 386.404 2.960 0 1 GFAF O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F 95667259 KUPOVWXAPOSFHE-LEWJYISDSA-N 380.463 2.777 0 1 GFAF O=C(/C=C/c1cccn(CCCc2cccc(OC(F)(F)F)c2)c1=O)NO 143954720 UDACNLPBBBEVPL-CMDGGOBGSA-N 382.338 2.898 0 1 GFAF O=C(Cc1ccccc1O)NCCCCNC(=O)c1cc(-c2ccccc2)on1 473087589 KUGGGDRZHPXWST-UHFFFAOYSA-N 393.443 2.916 0 1 GFAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 586939714 RULXHNHLFLDPCX-MRVPVSSYSA-N 395.535 2.674 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1c[nH]c3ccccc13)O2 587407911 JVTUXAPMFHCFSA-FQEVSTJZSA-N 384.457 2.964 0 1 GFAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(S(=O)(=O)N(C)C)cc1 963614142 WFLPXSKIYQZJCY-ZUOKHONESA-N 390.505 2.578 0 1 GFAF CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccccn3)cc21 169309897 KFMUKZMTBUYCCZ-NDEPHWFRSA-N 391.452 2.768 0 1 GFAF COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1[C@@]21N=C(N)N(C)C1=O 204038980 XZUCFAOSPGFWFO-PZPSAWLHSA-N 383.492 2.589 0 1 GFAF N=c1[nH]c(C(=O)Nc2cc(-c3cnn([C@H]4CCCNC4)c3)ccc2Cl)co1 1857535196 NGNDVPWJZBCPIC-ZDUSSCGKSA-N 386.843 2.781 0 1 GFAF O=C(O)Cc1nn(Cc2cc(F)cc(Br)c2)c(=O)c2ccccc12 1857539064 RJFPEMTXSLXZMM-UHFFFAOYSA-N 391.196 2.974 0 1 GFAF Cc1ccccc1[C@@H]1C[C@H](O)[C@@H](O)[C@H]1NC(=O)c1c(-c2ccccc2)noc1C 2356286592 HGBSYHMFUVHHTB-YHDSQAASSA-N 392.455 2.966 0 1 GFAF CC(=O)O[C@H]1C[C@H]2C(=O)O[C@H](c3ccoc3)C[C@@]2(C)[C@@H]2C[C@@H]3C[C@H](C(=O)O3)[C@@H]12 100778557 DYSOIAQEKRDXRB-YAGQCKNHSA-N 388.416 2.793 0 1 GFAF endogenous,in-man CSCC[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O 103177511 PRENSZGHPQKXKV-DYLGSBMWSA-N 375.450 2.656 0 1 GFAF Cc1ccc2c(c1)[C@@H]1[C@H](CO2)[C@H](c2ccccc2)[C@@]2(C)C(=O)N[C@H](C)C(=O)N12 61949430 SQEALOQDYLKKJM-AVGVHVDKSA-N 376.456 2.948 0 3 GFAF OCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F 28643747 HUSPTHXGBWWWJR-UHFFFAOYSA-N 378.411 2.870 0 1 GFAF CO[C@@H]1CC[C@]2(C)[C@H](OC(C)=O)C(C)(C)[C@@H]3[C@H](OC(C)=O)C[C@H](C)[C@@H]1[C@@]32O 2356592909 PKPLUXCTSIEECK-CZNIYTPPSA-N 382.497 2.708 0 1 GFAF COC(=O)[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)N(C)C 26255179 HCDABYVZMHYMRK-IBGZPJMESA-N 397.475 2.989 0 1 GFAF Cc1cccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)c1 29041406 DLFSESWOWKXVMD-UHFFFAOYSA-N 384.461 2.592 0 1 GFAF CCNC(=O)Oc1cccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c1 66251329 CEHDTVYYGVUUHH-UHFFFAOYSA-N 381.476 2.682 0 1 GFAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCC2CCCCC2)cc1 39018741 DOTBZTLJSXFKCP-IBGZPJMESA-N 384.524 2.938 0 1 GFAF in-vivo COc1ccc(OC[C@@H]2c3ccc(OC)cc3CC(=O)N2Cc2cnn[nH]2)cc1 1911576157 UFZWHYFXAPDLCD-HXUWFJFHSA-N 394.431 2.527 0 1 GFAF Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 49114001 KYTVXLDJXMOWPN-FQEVSTJZSA-N 396.516 2.893 0 1 GFAF COC(=O)CCSC/C=C(\C)CCn1cc(CCO[C@H]2CCCCO2)nn1 84713630 BIWMTPWFIZQUGK-NXNKFBBFSA-N 397.541 2.997 0 1 GFAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@@H](OC)[C@]2(C)[C@H]1C 95909479 NPOXQTDQWIYLML-YMUSBNEKSA-N 376.449 2.818 0 1 GFAF biogenic,in-vitro CC[C@@]12CC(OC(C)=O)=C3Nc4cc(OC)ccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 238743717 GNGNFXDVNFGIIL-VOFPXKNKSA-N 382.460 2.789 0 1 GFAF CC1(C)CO[C@@H]1c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1 95571700 TVBMHSCAUHDXHV-OAHLLOKOSA-N 398.492 2.665 0 1 GFAF O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95667253 KUPOVWXAPOSFHE-RTWAWAEBSA-N 380.463 2.777 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)ncc3[nH]2)CC1 586952095 BXQLYDGTYYAOFI-UHFFFAOYSA-N 387.303 2.719 0 1 GFAF CNS(=O)(=O)c1ccc(CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586946796 PVAJMJCVMUAGIQ-UHFFFAOYSA-N 387.358 2.813 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCOCC3)nc3ccccn13)O2 587393524 IKLPNRFRNOOJHH-QGZVFWFLSA-N 378.432 2.768 0 1 GFAF Cc1nonc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189492 WTKYHFPYSFIXTD-LKFCYVNXSA-N 375.734 2.913 0 1 GFAF C[C@H](O[C@@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O)c1ccc(Cl)c(Cl)c1 13582218 GDRGKWCVUFTHBE-OSVHJGBVSA-N 392.210 2.664 0 1 GFAF NCc1cc(Oc2cccc(C(=O)N3C[C@H](O)[C@H](F)C3)c2)nc(C(F)(F)F)c1 1857573199 ODGXXYXJORZPHE-KGLIPLIRSA-N 399.344 2.506 0 1 GFAF Cc1ccccc1CN1CCN(c2cnnc(O)c2Br)C[C@@H]1C 1857607781 UMJNNQDSEFELCH-ZDUSSCGKSA-N 377.286 2.964 0 1 GFAF CCOc1ccc(OCC[C@@H](O)CNCCOc2ccccc2OC)cc1 1857744859 UWFRBUJRBISXFY-QGZVFWFLSA-N 375.465 2.892 0 1 GFAF Cc1c(F)c(N2CC[C@](C)(CN)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 13649779 ADCCECQEBUHJEO-HXUWFJFHSA-N 391.418 2.796 0 1 GFAF O=C(OCCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 27558398 AUCKCYVGRFSHOO-UHFFFAOYSA-N 384.524 2.748 0 1 GFAF O=C(Nc1cnccn1)Nc1ccnc2ccc(N3C[C@H]4COC[C@H]4C3)cc12 43208202 VEZQCXWMPWTPJL-OKILXGFUSA-N 376.420 2.751 0 1 GFAF Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCc3ccccn3)co2)cc1 82070821 OQMDAPATNRUWTI-HNNXBMFYSA-N 379.416 2.949 0 1 GFAF O=C(OCCOCCN1CCNCC1)c1csc(-c2ccc(Cl)cc2)n1 82086314 JQPVHILZILNIEV-UHFFFAOYSA-N 395.912 2.542 0 1 GFAF CCN(CC)CC(C)(C)COC(=O)[C@@H](COP(=O)(O)O)c1ccccc1 84759258 RECALSCYZBPOIH-INIZCTEOSA-N 387.413 2.791 0 1 GFAF in-man Cn1nc(CC(=O)Nc2nc(-c3ccccc3O)cs2)c2ccccc2c1=O 96930083 ZWAXUQGVKBGFRT-UHFFFAOYSA-N 392.440 2.944 0 1 GFAF O=C(Nc1cnn(S(=O)(=O)c2ccc(Cl)cc2F)c1)c1ccccn1 116782010 RPIJRXONNHCMCR-UHFFFAOYSA-N 380.788 2.560 0 1 GFAF COCCOCC(=O)NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165811164 UCAMTHZABGFCMM-UHFFFAOYSA-N 397.475 2.556 0 1 GFAF COc1ccc2c(c1O)N(C(C)=O)[C@H]1CC[C@@]34CCCN5CC[C@]21[C@]53OCC4 238781583 QGGACCULAHXNDK-XGARDCMYSA-N 384.476 2.770 0 1 GFAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@]12O 255260018 PVAMXWLZJKTXFW-JSMHYTDZSA-N 390.520 2.575 0 1 GFAF O=c1n(Cc2nc3cc(F)ccn3c2CCCCO)c2cnccc2n1C1CC1 299851751 JJWSLQAMPQIFSL-UHFFFAOYSA-N 395.438 2.683 0 1 GFAF O=C1CCc2cc3[nH]c(-c4cccnc4S(=O)(=O)C(F)(F)F)nc3cc2N1 587127335 QSBQGKQHGAQZHG-UHFFFAOYSA-N 396.350 2.803 0 1 GFAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(O)nc(S)nc2[nH]1 587259127 XOLLAHKJDPLZCS-ZDUSSCGKSA-N 394.460 2.919 0 1 GFAF CC(=O)n1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1=O 587795089 QOKOBEDCIRTSAM-RBHXEPJQSA-N 396.260 2.844 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nnnn3c2)N1 587799397 YXZZBTIQQSORMT-FVMDXXJSSA-N 376.233 2.824 0 1 GFAF Cc1ccc(Cl)cc1-n1nnnc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1 1857565504 UVFGLTLANGYMIN-CVEARBPZSA-N 398.854 2.695 0 1 GFAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@H]3CCc4c(cnn4C)C3)nc12 1857752789 WUGWCTLQQHEWNY-INIZCTEOSA-N 376.439 2.969 0 1 GFAF CC(C)CCNC[C@@H]1O[C@@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O 2356301442 ANGOZRYREDMATQ-GIVPXCGWSA-N 379.545 2.747 0 1 GFAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2356527381 FLMSQRUGSHIKCT-GCJFFYRVSA-N 390.520 2.575 0 1 GFAF CC(=O)c1ccc(OCc2cc(C(=O)N[C@H](C)CCn3cccn3)no2)cc1 12585338 GHZJAXPNYISCFT-CQSZACIVSA-N 382.420 2.861 0 3 GFAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(c2ccccn2)CC1 2356302824 DEFZBHNCSWYPND-CQSZACIVSA-N 396.422 2.891 0 1 GFAF O=C(NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1 3005863 QLIPKTHLFANTPY-CQSZACIVSA-N 397.880 2.957 0 1 GFAF O=C(O)c1cn(C2CC2)c2c(F)c(N3CC(N4CCCC4)C3)c(F)cc2c1=O 27898829 GHJLETBXDXUUCO-UHFFFAOYSA-N 389.402 2.597 0 1 GFAF CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(-c2cc(F)ccc2O)nc2ccccc12 66099716 CEIIDGPSFYGDIQ-NVXWUHKLSA-N 382.439 2.912 0 1 GFAF CC(C)SCC[C@@H](N)[C@H](O)C(=O)NCCc1ccc(Cl)cc1Cl 27997386 UPGACRLDYKRQHG-CABCVRRESA-N 379.353 2.872 0 1 GFAF CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H](C)CO[C@]3(C)C(=O)CC[C@](C)(O)C[C@H]4O[C@H]3[C@@H]2[C@H]41 2356794505 HYSZLZFAPSHDAS-VOYQCHFUSA-N 394.508 2.503 0 1 GFAF CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C3CC3)n2)cc1 38995986 MZWCVBFANHIPTJ-UHFFFAOYSA-N 384.465 2.635 0 1 GFAF in-vivo CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1 73163394 OYZLCGDWJHDELT-QGZVFWFLSA-N 377.460 2.641 0 1 GFAF COc1ccccc1OCCNC[C@@H](O)COc1c(OC)ccc2[nH]ccc12 45285764 YOHHLSJVHYTESR-OAHLLOKOSA-N 386.448 2.593 0 1 GFAF NS(=O)(=O)c1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1 43062275 JEUQNCNSWGGZRH-UHFFFAOYSA-N 384.505 2.574 0 1 GFAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)C[C@@H](O)c1ncccc1O2 40955809 PTFJFPDNCOEVNS-FGTMMUONSA-N 379.460 2.998 0 1 GFAF CC(=O)Nc1cc(-c2cccc(OCCN(C)C)c2)nc(-n2nc(C)cc2C)n1 40894493 QDJLUTOVYOOCPC-UHFFFAOYSA-N 394.479 2.845 0 1 GFAF COC[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(NC(C)(C)C)nc34)[nH]c21 222404408 DSUSEZJHVSEHGF-OAHLLOKOSA-N 395.463 2.570 0 1 GFAF O=C(NCc1ccccc1)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 199248814 LKMLUCBPQWHOQG-LJQANCHMSA-N 377.444 2.709 0 3 GFAF Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCc2ccccc2N)co1 82070498 JVZIEJJQHIFZOO-CQSZACIVSA-N 378.432 2.667 0 1 GFAF CC(=O)N1CC(NC(=O)c2cnc(N)c3cc(-c4cccc(F)c4)ccc23)C1 144747058 NVXUYVBTZNVCIJ-UHFFFAOYSA-N 378.407 2.584 0 1 GFAF COc1ccc(OC)c(NC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 96283177 BBOQOJFALKBXRB-UHFFFAOYSA-N 393.465 2.907 0 1 GFAF O=C(O)c1cn(C2CC2)c2c(F)c(N3C[C@H]4CCC[C@H]3CN4)c(F)cc2c1=O 253689858 RHGPNNXNRMVUCV-PWSUYJOCSA-N 389.402 2.644 0 1 GFAF N[C@H](CNC1CCCCCC1)[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 653899340 CCYMPAKREBKHRA-AEFFLSMTSA-N 382.441 2.798 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)N3CCOCC3)cc1)O2 587401625 URDBLJMIKZMXHY-FQEVSTJZSA-N 396.443 2.521 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 586945961 DUCKDFSVLUTUIO-AWEZNQCLSA-N 397.460 2.564 0 1 GFAF C[C@H]1C[C@@H](C)C(=O)[C@@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963150758 SGBHZNZERNIJLA-KICPOFLPSA-N 380.466 2.830 0 1 GFAF COCc1nc([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cs1 962645196 VQEBKDGBCAEHSZ-XPTSAGLGSA-N 388.367 2.876 0 1 GFAF Cc1cc(Nc2nc(C(=O)N(C)[C@@H]3CCCNC3)nc3ccc(Cl)cc23)n[nH]1 1772632868 OHLYPLBEOXXARL-CYBMUJFWSA-N 399.886 2.882 0 1 GFAF CNC(=O)c1ncc(F)c(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1 1772629937 QNDDTEOQJSXYGY-UHFFFAOYSA-N 395.398 2.994 0 1 GFAF COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCc4cc(SC)ccc4C3)C2)cc1 12477547 YMPVRERGWOOMOO-SFTDATJTSA-N 398.528 2.661 0 1 GFAF COc1cc(/C=C(C(=O)O)/C(=C\c2ccc(O)c(OC)c2)C(=O)O)ccc1O 13458706 SPKZMOSDXTYXLK-MFUUIURDSA-N 386.356 2.751 0 1 GFAF endogenous,in-man NCCc1c[nH]c2ccc(C[C@@H]3NC(=O)N(CCCc4ccccc4)C3=O)cc12 13603455 JQSUNYUZXKGGSK-NRFANRHFSA-N 390.487 2.765 0 1 GFAF CCOC(=O)N1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)CC1 13825878 LLQOPUXDSVQOHX-JOCHJYFZSA-N 388.508 2.798 0 1 GFAF CCn1c2c(c(=O)n(Cc3ccccc3C)c1=O)CN(Cc1ccccc1)CC2 1857604744 GDFJXAREYJPJLG-UHFFFAOYSA-N 389.499 2.945 0 1 GFAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCO 4310677 KJBZPCCWWUNKBW-OALUTQOASA-N 378.469 2.826 0 1 GFAF CC[C@@H](C(=O)NC(C)C)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O 6944721 UTYJNNCGAPUTQX-KRWDZBQOSA-N 381.480 2.983 0 1 GFAF COc1ccc([C@@H]2c3cc4c(c(OC)c3C[C@@H]3COC(=O)[C@H]32)OCO4)cc1OC 14641197 MLANVLKQFOVBHC-QQGDVQBRSA-N 398.411 2.918 0 1 GFAF biogenic COCC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27852408 PJPXRJZYIMVERE-HZPDHXFCSA-N 381.384 2.514 0 1 GFAF COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 95573336 MHQQFDVNGWLYMF-UHFFFAOYSA-N 375.392 2.892 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccccc1F 95895790 JELGKZCIOQUBDC-ZJOUEHCJSA-N 384.451 2.663 0 1 GFAF CC(C)(O)c1ccc(C(=O)Nc2cc3c(ccn3CS(C)(=O)=O)cn2)cc1 118597829 WXHTYSQXKXPROS-UHFFFAOYSA-N 387.461 2.518 0 1 GFAF COC(=O)[C@H]1CCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144793918 JORMIHJZEPKANO-APWZRJJASA-N 391.345 2.853 0 1 GFAF C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccccc21 145000135 AEUZLDSGYXKDAO-GFCCVEGCSA-N 388.431 2.662 0 1 GFAF O=C(Nc1cnn(C2CCOCC2)c1)c1ccc2cc3n(c2c1)CCCNC3=O 147842502 FDPIILPLUQEVLU-UHFFFAOYSA-N 393.447 2.575 0 1 GFAF O=C1NC[C@@H](CC2CCCCC2)C(=O)[C@@H]1C(=O)Nc1ccc(-n2ccnc2)cc1 169727275 ODEXRFIYCPSBSB-APWZRJJASA-N 394.475 2.713 0 1 GFAF Cc1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)sn1 211034301 HIWTYESDVJEVCS-UHFFFAOYSA-N 377.477 2.657 0 1 GFAF CN(C)C(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586919894 AHKTZTKVDYFOMG-UHFFFAOYSA-N 397.500 2.770 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccnc(Br)c2[nH]1 587232553 ZCJFOVSTCFGFKS-QWRGUYRKSA-N 381.274 2.757 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(N)=O)n(C)c2)N1 587750661 JKRXIQAVQDWGTG-VVVCHXIZSA-N 380.261 2.823 0 1 GFAF Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2cccc(Cl)c2)C3=O)n1 653754028 XURRYTAPDZZBLI-UHFFFAOYSA-N 383.795 2.780 0 1 GFAF COc1cc2c(c3oc(=O)c(-c4ccc(O)cc4O)cc13)C(C)(C)[C@@H](CO)O2 653818529 BKRFECZQZLQIAY-QGZVFWFLSA-N 384.384 2.911 0 1 GFAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cnn(-c3cccnc3)c2)N1 962964161 JKUQMLVHYGFALP-PBHICJAKSA-N 390.777 2.887 0 1 GFAF CCOC(=O)[C@@H]1CN(C)CC[C@]12c1ccsc1CCN2Cc1cccnc1 962991909 FVGNZKCAQIIJRW-RXVVDRJESA-N 385.533 2.912 0 1 GFAF COc1ccc2c(c1OC)[C@]1(CCC[C@@H]1CO)N(C(=O)c1ccccc1N)CC2 963156213 OYGLUDMFZACZEH-WAIKUNEKSA-N 396.487 2.972 0 1 GFAF CCN1CCN(c2ccc(S(=O)(=O)Oc3ccc(OC)cc3)cc2)C1=O 1772620742 CRHVXVYVJBMFAY-UHFFFAOYSA-N 376.434 2.725 0 1 GFAF Cc1cc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)n3n2)ccn1 1857612741 HFHIADVTSSPSSG-UHFFFAOYSA-N 377.379 2.917 0 1 GFAF O=C1C(=O)N(CCCCN2C(=O)C(=O)c3cc(F)ccc32)c2ccc(F)cc21 1857764862 ZSWINYDVVNUYHS-UHFFFAOYSA-N 384.338 2.504 0 1 GFAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@@H]1O 2356315910 QRLPNJWAPSTPDF-KXVADOQJSA-N 376.541 2.619 0 1 GFAF CC(C)[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC[C@@H]1CCCO1 1381309 CCZMFGXGYJBMLG-GZMMTYOYSA-N 381.281 2.927 0 3 GFAF CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 4111330 ANDSXDKABIYGPB-FQEVSTJZSA-N 392.565 2.920 0 3 GFAF CCOC(=O)[C@@](NC(=O)CC)(Nc1nc2c(s1)CCCC2)C(F)(F)F 5950698 OQUWJEFZWZDTLK-CQSZACIVSA-N 379.404 2.782 0 3 GFAF Cc1cccc(-n2c(SCC(=O)N3CCCC3)nc3nnc(C)c-3c2N)c1 8680794 OJJUYHJBMRFQPT-UHFFFAOYSA-N 382.493 2.681 0 3 GFAF CNc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103247084 XMVZDHUKYXZOAV-QEBUAHALSA-N 377.510 2.706 0 1 GFAF COc1ccc([C@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1 27727733 VFPTVCDWPKNPCA-RTBURBONSA-N 390.480 2.937 0 1 GFAF CC=C1CN2CC[C@@]34c5ccccc5N[C@@H]3[C@@]2(C)C[C@@]1(C)[C@@]4(CO)C(=O)OC 2356507311 RKEYBMSLSYRTDT-OKKOYFSCSA-N 382.504 2.705 0 1 GFAF CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@H](O)C[C@@H]1N1CCN(C)CC1 33815043 BSGGUNAZMRJFTD-OLKYXYMISA-N 396.531 2.939 0 1 GFAF O=c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc[nH]1 73331044 YFJPSLNOMOYYLM-UHFFFAOYSA-N 388.431 2.665 0 1 GFAF CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085589 CEVZFZINAQEWTC-INIZCTEOSA-N 388.493 2.596 0 1 GFAF C#CCN(c1c(F)cc(C#N)cc1F)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 143202257 JKPVBGCJUHOUKU-CQSZACIVSA-N 378.386 2.826 0 1 GFAF Cc1nc(C(=O)N[C@H](C)C(=O)N[C@H](CO)CC(C)C)cc2c1[nH]c1ccccc12 38301127 WMJCUWKQHSUXAN-CABCVRRESA-N 396.491 2.666 0 1 GFAF biogenic O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3Oc3ccccc3)c2s1 299826909 FGZVAJDSBWDSEF-PVAVHDDUSA-N 386.473 2.918 0 1 GFAF Cc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587828577 UBKQPNJJGASKOH-VOJFVSQTSA-N 380.257 2.985 0 1 GFAF CCCN1C(=O)[C@](O)(c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c2ccccc21 587651607 WWUXPVCSBLICPN-OAQYLSRUSA-N 398.484 2.872 0 1 GFAF COC(=O)c1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587768945 FGGIKPNKWQMJFQ-ANRSDYALSA-N 380.217 2.788 0 1 GFAF CN1CCN(c2ccc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)o2)CC1 962728276 DMGKWJBDCTZJOX-YJBOKZPZSA-N 393.409 2.767 0 1 GFAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2cccc(OCCO)c2)N1 962627310 FNXHDHFLORYDRK-WMLDXEAASA-N 397.349 2.645 0 1 GFAF O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745289 XBXCZBMUMQJIMN-UHFFFAOYSA-N 392.419 2.572 0 1 GFAF COc1ccc([C@H]2[C@@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O 1857774781 LDGJYQFCBOFMPO-PKOBYXMFSA-N 389.404 2.530 0 1 GFAF CC1=CC[C@H](O)CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2C(C)=C(C)[C@@H](O)[C@H]3C1 2356327559 DEPCTRKSAXUTDK-MCNCDYSJSA-N 375.509 2.521 0 1 GFAF CN(Cc1ccccc1)C(=O)CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O 4004498 YDMUFCGKDDTCSA-UHFFFAOYSA-N 385.851 2.782 0 3 GFAF Cc1nc2nc(C)c(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(C)n2n1 4034708 DCHOEXLGONGDIV-LBPRGKRZSA-N 395.463 2.631 0 3 GFAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)C1 4051149 BDXHQTVNOYZSIB-DYXWJJEUSA-N 377.444 2.515 0 1 GFAF CCOc1ccc(CO[C@H]2[C@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 4177344 AOWCCGTVGMHYSD-FKSLSLAPSA-N 394.464 2.998 0 1 GFAF CCc1ccc(NC(=O)CN2C(=O)C[C@H](C)S(=O)(=O)c3ccccc32)cc1 6806566 FVGIWRDTGXVDBG-AWEZNQCLSA-N 386.473 2.787 0 3 GFAF CC(=O)N[C@@H](CCN1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1)c1ccccc1 58537976 TZPYOKZOXSPQPF-ZRBLBEILSA-N 391.515 2.958 0 1 GFAF COCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C(=O)c1c[nH]cn1 27563028 JHOPQLKCNNCGSP-KRWDZBQOSA-N 392.459 2.566 0 1 GFAF N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc12 71294468 GFPQCZLWUPCRME-QFIPXVFZSA-N 393.531 2.584 0 1 GFAF O=C(CNc1ccc(F)cc1)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 49072209 ZQBBYJIXKCYHOW-UHFFFAOYSA-N 381.455 2.848 0 1 GFAF CS(=O)(=O)CS(=O)(=O)Nc1sccc1-c1nc2ccccc2s1 43120244 XXVIUBNAKXVDHB-UHFFFAOYSA-N 388.517 2.769 0 1 GFAF COCc1cccc(NS(=O)(=O)c2ccc(C)c(N3CCN(C)CC3)c2)c1 95574689 XRZQXBVARCUOPV-UHFFFAOYSA-N 389.521 2.694 0 1 GFAF CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587401321 WAATYWVJAZITOO-HXUWFJFHSA-N 377.437 2.680 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2S(C)(=O)=O)N1 587838981 FKOQGOVXWRPABN-BJOHPYRUSA-N 387.274 2.821 0 1 GFAF COc1cc2c3c(c1)O[C@@](c1ccc(C(F)(F)F)cc1)(C(O)O)[C@@H](C2)C3=O 587420675 GPCSJEIUQIKWDI-SCLBCKFNSA-N 380.318 2.668 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(N)(=O)=O)c2)N1 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CSCCc1nc2nc(N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc2[nH]c1=O 2499489 RHFNWKOXFCDWKK-FZKQIMNGSA-N 384.505 2.782 0 1 GFAF Cc1nn2cnnc2c(C)c1CCC(=O)Nc1cccc(CN2CCCC2)c1 6917646 COSVRHALBWWIIQ-UHFFFAOYSA-N 378.480 2.908 0 1 GFAF CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)CCOc1ccccc1)CCO2 11786565 IWIALQYNNPQSIU-HSZRJFAPSA-N 398.503 2.646 0 1 GFAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1 13444747 CGDJUGZQGOTFLF-GOSISDBHSA-N 389.540 2.710 0 1 GFAF CCOc1cc(O[C@@H]2CCOC2)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953331 ZKEPSHHZWYCVRH-APWZRJJASA-N 399.447 2.775 0 1 GFAF O=C1NCCN1CCN1CCN([C@H]2C[C@H](c3ccccc3)c3ccccc32)CC1 26293121 VYMYVEYPDIKLSJ-PKTZIBPZSA-N 390.531 2.906 0 1 GFAF CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ncc(F)cc32)c1C 28528792 CNSVELLIZAGTKG-YBEGLDIGSA-N 399.470 2.730 0 1 GFAF CS(=O)(=O)c1ccc2nc3n(c2c1)C[C@H](N)[C@@H](c1cc(F)c(F)cc1F)C3 35997033 JGLLLZOMCJXZCF-ABAIWWIYSA-N 395.406 2.524 0 1 GFAF COc1cccc([C@@H]2CN(c3ncnc4cc(OC)c(OC)cc34)CCN2)c1 43193789 UOTSBRNCNJRGNJ-SFHVURJKSA-N 380.448 2.807 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 95795003 ISKXUTOQGXNNDS-JGZUXRTRSA-N 397.519 2.733 0 1 GFAF CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169299106 UREIKWXMKSDHRU-DICRZQGBSA-N 384.457 2.520 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](C)N1C(=O)CCC1=O)O2 587390339 GUKTUJSIICZZRP-FPTDNZKUSA-N 378.428 2.975 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cnn(-c3ccccc3)c1)(C(=O)O)O2 587392648 UTANHHJIMHMBFA-OAQYLSRUSA-N 377.400 2.794 0 1 GFAF CCOC(=O)[C@H]1Cc2cc(C)ncc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437341 YDIFSAUQWSALNM-XCGNWRKASA-N 379.412 2.777 0 1 GFAF O=C1CC2(CCOCC2)C[C@@]2(C1)N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962964207 JRKXAPNZEUICFT-AUUYWEPGSA-N 399.821 2.962 0 1 GFAF CC(=O)C[C@]1(C(F)(F)Br)NC[C@H]2CC(=O)N(C)c3cccc1c32 963031642 OJTHLFGGGJBCJP-BMIGLBTASA-N 387.224 2.902 0 1 GFAF Cc1ccnc2c1CCN[C@@]2(C)c1cccc(Br)c1S(C)(=O)=O 963065315 CZOJZUXODBPLPF-KRWDZBQOSA-N 395.322 2.965 0 1 GFAF Cc1c(O)ccc2c1[C@@](C)(C1CCN(CC(F)(F)F)CC1)N[C@H](C(=O)O)C2 963474845 XHGCFLHJMXVDAL-KBXCAEBGSA-N 386.414 2.789 0 1 GFAF Cn1nc(-c2cnc(N)c(-c3ccc(N)nc3)n2)nc1C1(c2ccccc2)CC1 1772626412 GLQVLTWBAQDETJ-UHFFFAOYSA-N 384.447 2.578 0 1 GFAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@]4(O)CO 2356415650 RPLIDLJMEABHAT-BORIEPGUSA-N 380.525 2.657 0 1 GFAF COC(=O)C1=C[C@H]2C[C@H]3[C@@]14CC[C@@]1(O[C@H]4O2)C(=O)O[C@@H](c2ccoc2)C[C@]31C 2356725621 RGDBZDOPISKAIW-YGKINNJCSA-N 386.400 2.667 0 1 GFAF CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OC 263592170 JTGLGPBZTRBHOC-USXIJHARSA-N 392.496 2.826 0 3 GFAF CN1C[C@@H](NC2CCC2)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356392808 PTQNFKCLANZGJV-KXBFYZLASA-N 393.478 2.740 0 1 GFAF CC(C)NC(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356287357 HQDAZGPRTONRNK-LNLFQRSKSA-N 391.443 2.639 0 1 GFAF C[C@@]1(c2cccc(NC(=O)c3cc(Br)co3)c2)COCC(N)=N1 113659406 CLRSFVMIVMUEJA-INIZCTEOSA-N 378.226 2.897 0 1 GFAF COC(=O)C[C@@H]1CO[C@](C)(O)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 2356490453 JFXKBFPAEBJNEN-DRINZYSSSA-N 384.476 2.621 0 1 GFAF C[C@H]1NCCn2cc(-c3cc4c(cc3F)C(=O)[C@@H](C(=O)O)CN4C3CC3)cc21 45318634 XTCQDIDBKFSLFT-BZNIZROVSA-N 383.423 2.824 0 1 GFAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCO[C@@H](c5ccncn5)C4)c23)c1 224862284 MAXRJKNDOJGUOO-GOSISDBHSA-N 383.415 2.864 0 1 GFAF COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)c(N)c1 84615740 DWSVEERATOLIHD-BQYQJAHWSA-N 393.461 2.889 0 1 GFAF CC1(C)CN(C(=O)CN2CCN[C@@H](CF)C2)c2cc(Cc3ccccc3)ncc21 143137619 IHRHKNGNWWICAY-IBGZPJMESA-N 396.510 2.540 0 1 GFAF O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 95893299 MGXVPKHTBGRHQO-AQNXPRMDSA-N 380.419 2.551 0 1 GFAF Cc1noc(-c2cnn3c2n[n+]([O-])c2ccc(OCc4cccs4)cc23)n1 95602521 NOCMMQQIHSMLKH-UHFFFAOYSA-N 380.389 2.515 0 1 GFAF O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccccc1 95898435 QTYAKTFIIZKPHO-CTNGQTDRSA-N 376.460 2.915 0 1 GFAF O=C(O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2C(=O)OCc1ccccc1 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Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)N1CCN(C)CC1 116952946 PHOGKWBKNQASCX-UYAOXDASSA-N 385.556 2.837 0 1 GFAF CCCn1c(O)cc(=O)nc1SCC(=O)Nc1cc(Cl)ccc1OC 102910765 DPBFVNAEGADTSL-UHFFFAOYSA-N 383.857 2.752 0 3 GFAF COc1c(O)cc([C@H]2OC[C@@H]3[C@H](c4cc(O)c(OC)c(O)c4)OC[C@H]23)cc1O 2356664356 RYHHTEJSKIQZAS-GNTOHDJUSA-N 390.388 2.601 0 1 GFAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]4([C@H]2C(=O)OC)[C@H]2[C@@H](OCC)ON3[C@@H]12 2356799630 UQNGTWIWTORQLU-ZQVUCIETSA-N 380.444 2.756 0 1 GFAF C1=CC(c2noc([C@@H]3CCCN3Cc3cccnc3)n2)=C[C](N2CCCC2)N1 2356848225 BAKRDUJAZACGPS-SFHVURJKSA-N 377.472 2.887 0 1 GFAF CN1CCN([C@H](c2cccc(C(F)(F)F)c2)c2nnnn2C(C)(C)C)CC1 22574785 CBYYEMYUHNCPAM-OAHLLOKOSA-N 382.434 2.784 0 3 GFAF Nc1nc(N)c2nc(CN3c4ccc(O)cc4C=CC4=CCC=C[C@@H]43)cnc2n1 39112944 PCBWLKUEKANDCL-INIZCTEOSA-N 385.431 2.578 0 1 GFAF in-vivo C[C@@]1(C(=O)NCc2ccccc2)CSCC(=O)N1CCOc1ccccc1 199232140 KYLRBOVAXUIJSP-NRFANRHFSA-N 384.501 2.716 0 3 GFAF NCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82069042 PJGLSVMEEGNHJU-KRWDZBQOSA-N 395.484 2.653 0 1 GFAF CCCNC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3)C[C@@H]21 95893553 STZOAQMOEDRGMZ-SLFFLAALSA-N 394.475 2.987 0 1 GFAF CC(C)C[C@@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 149291081 IPOLRKPSCVSOEO-YOEHRIQHSA-N 381.270 2.813 0 1 GFAF CC(C)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(-c2nccc(=O)[nH]2)c1 96273778 LGQSPYOERTUZSV-UHFFFAOYSA-N 395.419 2.508 0 1 GFAF CO[C@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@@]21C)OC(=O)[C@H]3C 257554930 ULNGGZOBSDELFB-JNVSXQLYSA-N 396.505 2.904 0 1 GFAF endogenous,in-man C/N=c1\c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(O)oc2ccccc12 617997445 AMCHGJKNSCLDGX-LKOLJXARSA-N 377.400 2.661 0 1 GFAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=N[C@H]3[C@H]2C(=O)NC(=O)N3C)cc1 618016374 RCPDDUVZAOLYBO-BPQIPLTHSA-N 383.448 2.989 0 1 GFAF CC1=C(c2ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3c2)NNC(=O)C1 587968957 JLVLETAHPYDWGV-KYGZTJQOSA-N 376.460 2.965 0 1 GFAF O=C([C@H]1CN2CCC[C@H]2CO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660085 BVVASFUPHJDMHI-QFBILLFUSA-N 393.418 2.706 0 1 GFAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586922468 OBPLOVAWQCVVGN-UHFFFAOYSA-N 385.489 2.856 0 1 GFAF C[C@@H]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)[C@@H]1C 5067719 ZWHGMKZMKUQXOB-INMHGKMJSA-N 389.521 2.796 0 3 GFAF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Cl)cccc3nc2-1 13832884 JAIAKOFIBHDLCA-HXUWFJFHSA-N 382.803 2.733 0 1 GFAF COc1cc(O)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204151617 HHRGGSVSAUUCLO-UHFFFAOYSA-N 391.431 2.875 0 1 GFAF COc1ccc2c(c1)[C@@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O 1857536853 GLDGONWLOZOLJE-INIZCTEOSA-N 383.416 2.861 0 1 GFAF CCC(=O)Nc1ccccc1-c1nnn(CC(=O)N2c3ccccc3C[C@H]2C)n1 1339667 HHIIBPQXGJDMPL-CQSZACIVSA-N 390.447 2.666 0 3 GFAF COc1ccc([C@@]23OC[C@@H](Cc4cc(OC)c(OC)cc42)[C@@H]3CO)cc1OC 6003309 CIQMFHJWBNOVQL-AOSWFRPUSA-N 386.444 2.776 0 1 GFAF Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1)N(C)C 27629340 BRXVFOPLSZGHJP-SFTDATJTSA-N 396.487 2.692 0 1 GFAF COc1ccc(Cl)c(-c2nnc3sc(-c4cc(O)[nH]c(=O)c4)nn23)c1 28712868 NZKPEVNQGRKQDS-UHFFFAOYSA-N 375.797 2.576 0 1 GFAF Cc1cccc2c1[C@H](Oc1cc(C(=O)N(C)C)cn3c(C)c(C)nc13)[C@@H](O)C2 28826120 IGZWCZAEOZUVAM-FXAWDEMLSA-N 379.460 2.998 0 1 GFAF CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(Br)ccc23)C1 73196011 GFXPKLGUXGHHMU-SECBINFHSA-N 378.299 2.987 0 1 GFAF CC(C)(C)NC[C@@H](O)COc1ccc2c(=O)cc(-c3cc(O)cc(O)c3)oc2c1 34660988 MKEJOZCFDMGYSL-MRXNPFEDSA-N 399.443 2.999 0 1 GFAF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(OC(C)=O)c1C(=O)O 14618669 ZMSJTNIJLWMFIJ-UHFFFAOYSA-N 390.344 2.912 0 1 GFAF biogenic O=C(O)COc1ccc2c(c1)C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)CC2 34501319 PLYWAKPAFSZPAL-PKOBYXMFSA-N 375.852 2.984 0 1 GFAF investigational O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NCCCc3ccccc3)CO[C@@H]12 25214579 YJVKHESIOJMRFD-BQJUDKOJSA-N 382.460 2.992 0 1 GFAF biogenic CC(C)c1[nH]nc(O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(N)=O)cc1 95582890 XTRPQLQRPFNKBX-UHFFFAOYSA-N 386.496 2.532 0 1 GFAF O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 95668153 CYPXXYZANQUULC-RBBKRZOGSA-N 390.483 2.668 0 1 GFAF CC(=O)[C@H]([C@@H]1CCC(=O)N1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799798 YSAXNOKQXHYVFI-NPMAUNRFSA-N 397.288 2.821 0 1 GFAF CN(C)CCOc1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228679 WHPLYOLHJSLDPP-UHFFFAOYSA-N 382.464 2.972 0 1 GFAF COC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423649 YLIGRYSUZZOIFC-OTYXRUKQSA-N 380.265 2.942 0 1 GFAF Clc1c[nH]c2nc(-c3ccc4ncc(I)n4c3)nc-2n1 587186894 YLXPTPZOOLTOEH-UHFFFAOYSA-N 396.579 2.877 0 1 GFAF CC(=O)[C@H](N=O)[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962916664 CZTXLOYYDMVMHE-CMKODMSKSA-N 384.388 2.723 0 1 GFAF COc1cc2c[n+]3c(cc2c(CO)c1OC)-c1c(cc2c(c1OC)OCO2)CC3 13310119 YBDPGYNCDXZFOS-UHFFFAOYSA-N 396.419 2.597 0 1 GFAF biogenic,in-vitro O=C(O)Cc1nn(Cc2nc(-c3ccccc3)ns2)c(=O)c2ccccc12 13449053 ZJQVHTCAULPBHW-UHFFFAOYSA-N 378.413 2.590 0 1 GFAF CC(=O)Nc1ncc(CN2CC[C@]3(CCN(c4cncc(C5CC5)n4)C3)C2)s1 1857542241 NXYVWDZCNBNGNE-FQEVSTJZSA-N 398.536 2.871 0 1 GFAF CCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1ccccc1F)CC2 1857577677 VBRHFLQUIJPGIQ-UHFFFAOYSA-N 393.462 2.776 0 1 GFAF COc1cc(F)ccc1CN1CC(=O)N(c2ccc(OC)c(OC)c2)C1=S 1857645206 WUAMRQXCSOZAQF-UHFFFAOYSA-N 390.436 2.985 0 1 GFAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccc(N(C)C)cc2)CC1 2356286355 NDKUVWQXAFUQAK-FUDKSRODSA-N 398.595 2.925 0 1 GFAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(F)cc3nc2-1 26381577 JIPOGPVPKKFGSN-OAQYLSRUSA-N 380.375 2.609 0 1 GFAF C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC=C2C1=CC(=O)OC1 2356408326 CFKJENQZESXSLH-YOZIAGSJSA-N 388.504 2.639 0 1 GFAF CN1CCC[C@@H]1c1cccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 217041629 DEUZGMJOCHUTND-XZOQPEGZSA-N 393.531 2.602 0 1 GFAF COc1ccccc1NC(=O)N1CCC(c2nc(-c3ncccn3)no2)CC1 72181089 HODDPEMQCJXTGF-UHFFFAOYSA-N 380.408 2.947 0 1 GFAF COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC 14646734 PFCOJAPJHVVASV-HUUCEWRRSA-N 386.400 2.713 0 1 GFAF biogenic CC[C@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccsc1C(=O)OC 40424459 CCBLSWSTNQRVEC-NSHDSACASA-N 398.437 2.600 0 1 GFAF CN1CCN(CCCNC(=O)c2coc(-c3ccc4ccccc4c3)n2)CC1 82086357 AASNNPPZJSFNCN-UHFFFAOYSA-N 378.476 2.862 0 1 GFAF O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1cc(F)cc(F)c1Cl 96917683 DHWZEYVRBWQYPK-WBMJQRKESA-N 392.789 2.740 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 586952444 GCGXTLCVNCHRAS-UHFFFAOYSA-N 387.408 2.883 0 1 GFAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(O)nc(O)nc4[nH]3)c2C1 587032834 CYYITHITPVWRHV-UHFFFAOYSA-N 389.437 2.786 0 1 GFAF CCn1cc([C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587764434 PTCLNMDHXRQIMM-XXFAHNHDSA-N 382.233 2.667 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cnn(C)c2)N1 587762469 FIEJFPMEUNMNCW-BTDLBPIBSA-N 396.260 2.964 0 1 GFAF CCN1C(=O)c2cc3c(OC)cc(OCC(=O)OC(C)(C)C)cc3n2C1=S 13487560 DTUACVJXQHFAHA-UHFFFAOYSA-N 390.461 2.979 0 1 GFAF COc1cccc(CC(=O)Nc2cnn(C(C)(C)C(=O)NCc3ccco3)c2)c1 205233798 SUQCDZIKWLKFBT-UHFFFAOYSA-N 396.447 2.717 0 3 GFAF N=c1[nH]c(C(=O)Nc2cc(-c3ccc(O[C@H]4CCNC4)nc3)ccc2Cl)co1 1857540109 QEXZBGZROVORBP-ZDUSSCGKSA-N 399.838 2.796 0 1 GFAF O=S1(=O)CCCCN1C[C@@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21 148301937 FWUPFSPYRTZMGW-OAHLLOKOSA-N 394.443 2.859 0 1 GFAF O=C(NC1CCCCC1)N[C@@H]1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 6613442 FKBFFCNYUAHDGE-NVXWUHKLSA-N 376.501 2.746 0 1 GFAF biogenic CC(=O)S[C@@H](C(=O)c1ccc(Cl)cc1)[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O 27314951 DOZOYSPQHWWQPB-QSGSBWRWSA-N 397.880 2.883 0 1 GFAF CN(CCN(C)c1cnc2ccccc2n1)C(=O)Nc1ccccc1C(=O)O 28969736 BWEYPHBLSQGHQC-UHFFFAOYSA-N 379.420 2.928 0 1 GFAF N[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C1 29332188 LHDJHAUXLFWFHX-LBPRGKRZSA-N 385.370 2.505 0 1 GFAF O=c1[nH][nH]c2nc(CN3CCN(c4ccc(Cl)cc4)CC3)nc3cccc1c32 59298640 SCCNIVVUAFOBCA-UHFFFAOYSA-N 394.866 2.775 0 1 GFAF CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1 72136632 OXEUPRSTGYQNFU-CYBMUJFWSA-N 397.440 2.516 0 1 GFAF CC(=O)N1CCN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2)CC1 82133122 ZOIBNPKYZSLMIN-UHFFFAOYSA-N 393.491 2.802 0 1 GFAF CC[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 82207888 JVJPHJPKWVDWRZ-KRWDZBQOSA-N 383.496 2.650 0 1 GFAF O=C(O)Cn1ncc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc21 96914177 IYGXDLXWMSLGRY-UHFFFAOYSA-N 388.387 2.907 0 1 GFAF Cc1cccc([C@H](CC(=O)O)NC(=O)c2cc(O)n(-c3ccccc3F)n2)c1 101564336 XNOGYJJPIJQAPM-HNNXBMFYSA-N 383.379 2.971 0 1 GFAF CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(C)cc23)[C@@H]1c1ccc(O)cc1 103202819 UDRDCFCIDQCGEC-INIZCTEOSA-N 392.411 2.800 0 1 GFAF COc1nn(-c2ccccc2)c2cc(N3CCN([C@@H]4CCNC4)CC3)ccc12 147355096 KEQMXTYZTSWPHX-LJQANCHMSA-N 377.492 2.518 0 1 GFAF CC(C)(C)C#Cc1cccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)c1 149118621 UYMBNGIJDCRCQM-UHFFFAOYSA-N 392.502 2.532 0 1 GFAF C[C@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)Cn2nccc21 169335914 HZJAWSZFOQZSDD-LJQANCHMSA-N 380.839 2.818 0 1 GFAF CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCC3)c2cn1)c1ccc(F)cc1 210810209 PVZRIRLPJRDCSG-KRWDZBQOSA-N 398.442 2.941 0 1 GFAF COc1ccccc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21 221865767 IHADHGYQFXAPQC-UHFFFAOYSA-N 397.412 2.788 0 1 GFAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC(C)(C)O2 299885473 VOHRLHXXIJIXNU-JZXOWHBKSA-N 376.497 2.558 0 1 GFAF O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@H]1NNC(=O)[C@@H]2CCCC[C@@H]12 618014355 XDAKOPZCSWNHOZ-FCHSOHFDSA-N 392.431 2.836 0 1 GFAF CCOC(=O)[C@H]1CN(C)CC[C@@]12c1ccsc1CCN2Cc1cccnc1 962991912 FVGNZKCAQIIJRW-WIYYLYMNSA-N 385.533 2.912 0 1 GFAF C[C@]1(CO)CN(Cc2ccccc2)C[C@H]2CN(Cc3ccc(F)cc3)CCN21 2356312657 BXHHKDAEPSDNFU-DHIUTWEWSA-N 383.511 2.579 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC=C2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 2356429056 ILGDWQQRRLHSBQ-PHWYYDIVSA-N 376.449 2.818 0 1 GFAF COC(=O)[C@H]1CC2=C(CN1Cc1cccnc1)N(Cc1ccc(Cl)cc1)[CH]N2 2356845684 XREBQVLMLPCIFI-LJQANCHMSA-N 397.886 2.919 0 1 GFAF COCCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccco1 4399981 WTGNFVKVQCZYLZ-CQSZACIVSA-N 376.375 2.807 0 3 GFAF CC(C)CCN1C(=O)CSC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 199231604 ZNGUZDACZDVEKI-IBGZPJMESA-N 378.494 2.777 0 3 GFAF CCc1ccc(NC(=O)CN2C(=O)C[C@@H](C)S(=O)(=O)c3ccccc32)cc1 6806565 FVGIWRDTGXVDBG-CQSZACIVSA-N 386.473 2.787 0 3 GFAF CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CC5)C[C@@H]3N4)cc2)cc1 100101647 CZYXHVQUPUFVBL-KOUNCHBCSA-N 389.499 2.732 0 1 GFAF COc1cc(Cc2cnnn2Cc2ccc3c(c2)OCO3)cc(OC)c1OC 28872600 RZIBUKQLPPUFFK-UHFFFAOYSA-N 383.404 2.672 0 1 GFAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)C(C)(C)C)CC2)cs1 2356433125 XZLRXPQSOLBVLY-HNNXBMFYSA-N 395.569 2.610 0 1 GFAF COc1cc(=O)oc(C=CC=CC=CC=C[C@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)c1C 2356536778 BXUGQFINZUXAKN-ZINXYGQCSA-N 388.460 2.928 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(C=C[C@H](O)OC)cc3[C@@H]2CO)ccc1O 2356681614 ACYTYNNPYAXFFE-BEVDRBHNSA-N 388.416 2.597 0 1 GFAF C[C@@H]1CCCN(Cc2cccc(OCCCNC(=O)c3ccc[n+]([O-])c3)c2)C1 38192499 HJZUEASXFDHGDQ-GOSISDBHSA-N 383.492 2.751 0 1 GFAF COCCOc1ccc2[nH]nc(-c3cc(N4C[C@H](F)[C@@H](F)C4)ncn3)c2c1 225554903 FAESGGDRPXRFCX-KBPBESRZSA-N 375.379 2.541 0 1 GFAF CC(=O)NCCn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 82178385 WGQSTMROIBDLRY-UHFFFAOYSA-N 387.447 2.637 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CNS(C)(=O)=O)N(CC3CCCC3)[C@H]2CO)cc1 95895253 CJAZRFHXKVTIPD-DHEAMQPCSA-N 392.565 2.588 0 1 GFAF Cn1cc(-c2cc(CS(C)(=O)=O)ccc2NCC2CC2)c2cc[nH]c2c1=O 146391282 PANKYEYISTWOJG-UHFFFAOYSA-N 385.489 2.900 0 1 GFAF COc1ccc(N[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-n2nccn2)nc1 473171415 VLSYNKZYEWULRI-LSBZLQRGSA-N 390.447 2.529 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc(=N)[nH]c1C 587869764 RCJBPHQTTFOHHV-UHFFFAOYSA-N 383.355 2.838 0 1 GFAF Cc1cc2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2c(C)n1 587129180 UYEJVGLNKKLQIK-UHFFFAOYSA-N 390.369 2.999 0 1 GFAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587038623 AHBWWUCMOJZNFD-LBPRGKRZSA-N 376.438 2.876 0 1 GFAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587970901 OFFTZLRNHXEUHB-RNLVFQAGSA-N 393.115 2.843 0 1 GFAF Cc1nonc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189496 WTKYHFPYSFIXTD-XPTSAGLGSA-N 375.734 2.913 0 1 GFAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c(F)c1)C(F)(F)F 13760128 LRGGYMDTDQHDIF-OAHLLOKOSA-N 391.342 2.910 0 1 GFAF Cc1cnc(NC(=O)C2CC2)nc1-c1c[nH]c2c(NC(=O)CN(C)C)cccc12 1857578713 XSQUDFUJOZSYMR-UHFFFAOYSA-N 392.463 2.782 0 1 GFAF CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2C[C@H]4C[C@@]23CC[C@@]4(O)CO)O1 2356324481 JGIRWYHXRIYAAU-ODMKAKATSA-N 394.552 2.855 0 1 GFAF Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 3021866 AEAQEVRCCRGAIP-HNNXBMFYSA-N 392.452 2.844 0 3 GFAF CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)cc1 4054934 YABXQEQNSCSLAS-PKOBYXMFSA-N 388.851 2.939 0 1 GFAF COC(=O)C=Cc1ccc(OC(=O)C[C@H](C)OC(C)=O)c(C=CC(C)(C)O)c1 2356682338 JOCMICFBSDGOAQ-AWEZNQCLSA-N 390.432 2.904 0 1 GFAF Nc1scc2c(C(=O)NCc3ccccc3)nn(-c3ccccc3)c(=O)c12 36380593 PUVSNLLTBJYSQL-UHFFFAOYSA-N 376.441 2.959 0 1 GFAF C[C@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2C(=O)O1 214136470 SXHXNWAJMDYKPB-GTNSWQLSSA-N 387.819 2.867 0 1 GFAF CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)C1 82204010 MPVPPQZRPZUUSS-LEUOFYLZSA-N 375.517 2.505 0 1 GFAF N[C@@H](CC(=O)N1CCC[C@H]1c1noc(C2CC2)n1)Cc1cc(F)c(F)cc1F 45245697 LNCLRHFSVFDSNS-WBMJQRKESA-N 394.397 2.988 0 1 GFAF CC(C)Oc1cc2c(-c3cc(N4CCS(=O)CC4)ncn3)n[nH]c2cc1F 225565352 PTLYPUQTGZQDAJ-UHFFFAOYSA-N 389.456 2.515 0 1 GFAF CCOCOC[C@@H]1CS[C@H](c2cc(Br)c(O)c(OC)c2)N1 95535215 KZYARPHOOFOWST-QMTHXVAHSA-N 378.288 2.878 0 1 GFAF N#Cc1ccc(C(=O)Nc2ccc(F)c([C@@]34N=C(N)SC[C@@H]3CCO4)c2)nc1 145711434 HYMAQOIAWBBUEQ-HXPMCKFVSA-N 397.435 2.595 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)CC)N(C(=O)NCCC)[C@H]2CO)cc1 95895084 ZWWIZDOUHZQQDN-HFBJQBFJSA-N 387.524 2.836 0 1 GFAF CC(CO)(CO)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 473111566 BTCNRFYEPUENFI-CQSZACIVSA-N 397.302 2.795 0 1 GFAF COc1ccc(C[C@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1OC 587926754 OXYURFFZRMGORZ-NSHDSACASA-N 375.450 2.574 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@@H](O)[C@@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587435139 DBZSARWPRNMTGX-UYVXCEDXSA-N 391.467 2.979 0 1 GFAF COc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)nc1Br 963016047 BXUQBKOEPURPGP-BMLIUANNSA-N 388.265 2.995 0 1 GFAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(Br)cn1 963473969 UISJBERCNNSMRQ-XJKSGUPXSA-N 393.237 2.555 0 1 GFAF CN1C(=O)C[C@@H]2CN[C@](CC3OCCO3)(c3ccc(F)cc3)c3cccc1c32 963027649 OULLSBPSCUNENM-JLCFBVMHSA-N 382.435 2.886 0 1 GFAF CCCc1cc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)on1 11662461 DZOBMVYFIAKYFY-MRXNPFEDSA-N 387.455 2.864 0 3 GFAF Oc1nc2c(c3nc(-c4ccccc4F)nn13)CN(Cc1ccccn1)CC2 13824526 RGQYOJCMYKYGTC-UHFFFAOYSA-N 376.395 2.589 0 1 GFAF COCCN1C(=O)[C@]2(N=C1N)c1cc(C3CC3)ccc1CC21CCC(OC)CC1 150075765 RXHPIRHKFAXUJM-UWFXLKAESA-N 397.519 2.694 0 1 GFAF CCOC(=O)[C@H]1[C@H](c2ccc(SC)cc2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(C)O 169294005 LYAQGMNUNZHKRV-AXVVYFOYSA-N 394.489 2.575 0 1 GFAF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4055175 XYEVPHPIMPQCGQ-WBVHZDCISA-N 394.880 2.618 0 1 GFAF COC(=O)C1=CO[C@H](C)[C@@H]2[C@@H]1C[C@@H]1c3c(c4ccccc4n3[C@@H]2O)CCN1C 14930568 LJQJDDFXCZGJGT-OXQCTGGYSA-N 382.460 2.773 0 1 GFAF biogenic CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccccc2F)CC1 28770657 QYLQRAKINCNQRM-UHFFFAOYSA-N 399.397 2.719 0 1 GFAF CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1COCC1=O 29569783 VWNRZEDBERAUKL-VQTJNVASSA-N 394.471 2.582 0 1 GFAF CCCC[C@]1(CO)C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H](O5)[C@@H]1O 40639613 FUENFDZJVVFQJQ-QIYAIUHXSA-N 387.520 2.504 0 1 GFAF CC(C)S(=O)(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185552 JMOSVQOAEPCCNI-GOSISDBHSA-N 394.928 2.575 0 1 GFAF CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95875140 RVOKLENHAKIBKK-QZNHQXDQSA-N 379.504 2.910 0 1 GFAF CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)NCC(F)(F)F 103229377 FSOGHTCAYYGWQO-BBRMVZONSA-N 396.413 2.754 0 1 GFAF CCc1c(-c2ccc(F)cc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O 116855954 SGTJSRJGXYCASJ-UHFFFAOYSA-N 388.370 2.929 0 1 GFAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCOCC2)cn1 207596437 DVEMCJONIRIHRK-INIZCTEOSA-N 395.290 2.895 0 1 GFAF COCC1CN(c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)C1 210788653 WCPYBIDBOLBULK-CYBMUJFWSA-N 380.452 2.923 0 1 GFAF CC(C)C(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 253639090 WXJKTTVGVITSOL-SNJHDSHBSA-N 395.499 2.862 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)ncc2[nH]1 586951713 WAAXYJKYHZPBPV-UHFFFAOYSA-N 388.272 2.524 0 1 GFAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](C)N(C)C)[nH]c2c1 587192495 USXSUQRDYYIEHR-ZDUSSCGKSA-N 388.493 2.865 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(I)cnn1C)O2 587386719 LTJYTWRLAKKXEG-GFCCVEGCSA-N 383.189 2.622 0 1 GFAF O=C(Nc1ncccc1OCC1CCCCC1)[C@H]1NNC(=O)[C@@H]2CCCC[C@@H]12 618014512 UPIQIOYKTOHYJK-NUJGCVRESA-N 386.496 2.789 0 1 GFAF C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nnc(-c3ccnn3C)s2)CC1 1857588741 BUIWQUHFOKEJCN-ZFWWWQNUSA-N 388.541 2.850 0 1 GFAF O=S(=O)(NC[C@H](O)/C=C/c1ccccc1)c1ccc(Br)cc1 1857752070 JSASDWUPIDPVPE-RZIFZGNASA-N 382.279 2.802 0 1 GFAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1ccc2c(c1)CCO2 2356503430 HQEGIQVTYMEHPQ-SFTDATJTSA-N 386.536 2.904 0 1 GFAF O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(F)c1)c1cccc(F)c1 2356805848 ADZPCBFCRBZEDS-SFHVURJKSA-N 376.403 2.656 0 1 GFAF CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c1 4055224 VGJAMQQXZLGRKK-PKOBYXMFSA-N 388.851 2.939 0 1 GFAF C[C@@H]1COCCN1c1nc2c(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)cccc2o1 101372633 RBULLMHVZYBTHL-DJIMGWMZSA-N 398.507 2.798 0 1 GFAF CC(=O)c1cc(NC(=O)c2cccs2)ccc1OC[C@H](O)CNC(C)C 25981974 SVIVGPHQJSHBMT-OAHLLOKOSA-N 376.478 2.941 0 1 GFAF CO[C@@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 100853423 DRJFACWZQYBMLO-BHBNGSFGSA-N 383.488 2.647 0 1 GFAF COc1cc(OC)cc(N2NC3=CC[C@@H](OC)O[C@@]3(c3ccncc3)CC2=O)c1 66259012 MUKOWPNLSVNBJD-LEWJYISDSA-N 397.431 2.512 0 1 GFAF CC(C)CCCCCCCCC=CC[C@H](OS(=O)(=O)O)[C@H](O)[C@@H](N)CO 2356440415 AMKJRXWVNVNVKO-OKZBNKHCSA-N 395.562 2.578 0 1 GFAF COC(=O)[C@H](COCc1ccccc1)N1C(=O)[C@@H](C)S[C@@H]1c1cccnc1 27756460 IXNXQERYJVBXKQ-DKSSEZFCSA-N 386.473 2.803 0 1 GFAF CO[C@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)C[C@H](C(C)(C)O)O2 2356851359 QGWNXSMDRPLOFM-KNQAVFIVSA-N 396.439 2.992 0 1 GFAF CC[C@H]1CN(Cc2ccncc2)CC[C@H]1CC(=O)N1CCC(C(=O)OC)CC1 8254473 MMESXBZSNJRYEH-ICSRJNTNSA-N 387.524 2.731 0 1 GFAF biogenic CCCCCCc1cn(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)nn1 40420201 WRDUALGNCVZVAK-LJQANCHMSA-N 390.438 2.859 0 1 GFAF Nc1[nH]nc2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12 263621368 ZVSGCPGPQNLKLU-UHFFFAOYSA-N 396.882 2.967 0 1 GFAF in-vitro COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=N[C@H]3[C@@H]2C(=O)NC(=O)N3C)cc1 618016375 RCPDDUVZAOLYBO-KBAYOESNSA-N 383.448 2.989 0 1 GFAF COC(=O)c1ccnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12 587125748 SZZLPOPOIUGWCR-OIBJUYFYSA-N 380.330 2.916 0 1 GFAF COC(=O)C(=O)C[C@]1(c2ccccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587401909 ZXDPIUQZWOZNSW-NRFANRHFSA-N 383.400 2.579 0 1 GFAF COc1cccc2cc3c(nc12)[C@H](c1nc(Br)cnc1N)NCC3 963070307 SZEAIIFRCFWSIE-OAHLLOKOSA-N 386.253 2.613 0 1 GFAF CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2C[C@@H]1C(=O)O)c1ccccc1 13446595 HGJKEJZBOHKPJH-HXUWFJFHSA-N 390.443 2.999 0 1 GFAF CC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@@H]2N)c2ccc(F)cc12 169346635 YYYZAQFRNQAYIZ-KRWDZBQOSA-N 381.436 2.574 0 1 GFAF O=C(O)c1ccc2c(c1)C[C@@](NC(=O)c1cccc3c1CCCC3)(C(=O)O)C2 167865125 FIPXNIPYVQISBZ-JOCHJYFZSA-N 379.412 2.616 0 1 GFAF O=C(Nc1ccc(C(=O)N2CCC[C@@]23CCNC3)cc1)N1Cc2ccncc2C1 167869769 AQFPZJMRDAUYFT-QFIPXVFZSA-N 391.475 2.597 0 1 GFAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)N(C)O1 201206934 HNFROVVMIDYSEZ-IMRCBTMISA-N 380.286 2.925 0 1 GFAF O=C(NCc1c(Cl)cc(Cl)cc1COCCO)[C@H]1COc2ncccc21 205627001 XOMZGLXVHMQEEG-HNNXBMFYSA-N 397.258 2.690 0 1 GFAF CN1C[C@H](C[C@H]2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 1857612050 WRADCISQZXKNIK-JSGCOSHPSA-N 383.448 2.813 0 1 GFAF Cc1cc(O)nc(-n2ncc(C(=O)NC3CCCC3)c2Cc2ccccc2)n1 1857616524 VLFIZFPYDYBGGO-UHFFFAOYSA-N 377.448 2.940 0 1 GFAF C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 1549922 GJIOAZQCBADHSB-AWEZNQCLSA-N 393.418 2.863 0 1 GFAF CCc1ccccc1NC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1 5148902 FXDIIUGEDJCQBL-UHFFFAOYSA-N 397.504 2.877 0 1 GFAF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)Oc1ccccc1 13446613 AWDDVVWRRTWTRQ-IBGZPJMESA-N 377.400 2.942 0 1 GFAF CCOC(=O)N1CCN(CC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 13825876 LLQOPUXDSVQOHX-QFIPXVFZSA-N 388.508 2.798 0 1 GFAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(F)cc3C)C2)CC1 73386635 CBBFRJXEYNSBNX-QGZVFWFLSA-N 391.487 2.949 0 1 GFAF C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN(C)C 82084000 SQNMUZJWTQOEBO-CQSZACIVSA-N 381.432 2.718 0 1 GFAF CCN(CC)c1cc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)ccn1 95572583 CICSYFWWWTXRPT-UHFFFAOYSA-N 398.492 2.776 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccccc2)cc1 95895642 GORVFQJRTXHRGE-XKYACDCESA-N 378.472 2.825 0 1 GFAF NCCOCCNC(=O)c1ccc([C@@H]2CC[C@H](c3ccccc3)C[C@H]2O)cc1 96086552 UWDDUVCTGLMPMN-FDFHNCONSA-N 382.504 2.804 0 1 GFAF in-vitro COc1ccc(-c2ccc(=O)n(CCN3CCN(c4ccccc4)CC3)n2)cc1 98085571 GOTQCSCCTZEWRN-UHFFFAOYSA-N 390.487 2.741 0 1 GFAF CN(C[C@@H]1CCCO1)C(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166405215 PDISEOBURULYEV-SFHVURJKSA-N 380.448 2.880 0 1 GFAF CN1CC(C(=O)NCCCOc2cccc(Oc3ccccc3)c2)=C(O)C1=O 219139712 MFXMMMNYUBRPBP-UHFFFAOYSA-N 382.416 2.648 0 1 GFAF CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@@H]2OC(=O)[C@]4(C)CCC[C@]3(C)[C@H]24)C(=O)O1 238736258 NTKKRFQRYGKWKB-ABVYQAPASA-N 378.465 2.972 0 1 GFAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587163951 PJLYQBSRNYTIDU-KRWDZBQOSA-N 376.457 2.603 0 1 GFAF COc1nccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 587182549 QGZVALOGHBMFCK-MRVPVSSYSA-N 383.193 2.685 0 1 GFAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1 587784469 HJORLYUTQAITNR-JKSUJKDBSA-N 399.472 2.757 0 1 GFAF Cc1ccc([C@]2(CN)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1 962625365 CIKQGXCZUVDGMY-KDOFPFPSSA-N 380.366 2.695 0 1 GFAF CCOC(=O)COc1ccccc1[C@]1(C)NCCc2ccc(C(=O)N(C)C)cc21 962930729 MIQCGOAZCPHPID-QHCPKHFHSA-N 396.487 2.740 0 1 GFAF CC(C)(C)OC(=O)N1CCC2(CC1)NC(=N)NC(=N)N2c1cccc(Cl)c1 1857745570 FKLLPPRRMCOWRB-UHFFFAOYSA-N 392.891 2.936 0 1 GFAF CC(=O)N1CCC(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)O)C[C@@H]2C(C)C)CC1 2356846278 OMEARBJVDKNOJE-GBESFXJTSA-N 378.513 2.690 0 1 GFAF Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N2CCCCC2)c(C)o1 5058511 LFTWSVNFVNPBOI-UHFFFAOYSA-N 376.478 2.886 0 3 GFAF O=C(Cn1cc(COc2ccc3ccc(=O)oc3c2)nn1)c1ccc(O)cc1 61931052 TZOCOGNQACZASY-UHFFFAOYSA-N 377.356 2.552 0 3 GFAF CC(=O)[C@@]1(O)CC[C@H]2[C@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 3872583 FAOZLTXFLGPHNG-QJQCYIJUSA-N 376.468 2.923 0 1 GFAF Cc1ccc(S(=O)(=O)c2nnn3c2nc(N)c2cc(Cl)ccc23)cc1C 6804983 JPWWKCNMHZRVJB-UHFFFAOYSA-N 387.852 2.963 0 1 GFAF O=C(N[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1cc2ncccn2n1 12302448 PXLOAFIOGDFPOX-CYBMUJFWSA-N 378.461 2.738 0 1 GFAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CSCC(=O)O)C1 12603348 WMWMHSVGZWBSGD-HZPDHXFCSA-N 385.489 2.835 0 1 GFAF biogenic CCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 14947680 RNAWARZODNEZLL-IAGOWNOFSA-N 385.464 2.548 0 1 GFAF CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(C)=O)c3)cc21 14954285 VJPWSTNYMQCQAS-UHFFFAOYSA-N 379.380 2.834 0 1 GFAF COc1ccc(-c2ccn(C[C@H](O)C(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1 71280853 OBIDNHVGRAURCJ-IBGZPJMESA-N 394.427 2.684 0 1 GFAF O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 95893650 LBULXBMGSONBTN-YTFSRNRJSA-N 392.499 2.789 0 1 GFAF Cc1ccccc1[C@@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)n(C)c(=O)n2C 104100863 BLHGMYXSXMBXQU-MRXNPFEDSA-N 385.423 2.941 0 1 GFAF C[C@H](N)[C@@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113653142 WPAYADJKYDLWGP-QWHCGFSZSA-N 384.871 2.809 0 1 GFAF N[C@]12CC[C@@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 169364062 JARIXOMLQISROZ-AFAVFJNCSA-N 382.938 2.955 0 1 GFAF O=C(Nc1nnc(-c2ccncc2)s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 212480772 OYIVXUKAFPDNOB-UHFFFAOYSA-N 394.372 2.602 0 1 GFAF C[C@@H]1C(=O)O[C@H]2[C@@H]1O[C@@H](C)[C@H]2[C@@H]1CCCCN2[C@H]([C@H]3C[C@@H](C)C(=O)O3)CC[C@H]12 257496721 NSVYJHREGGWCHW-AWEGLZQBSA-N 391.508 2.536 0 1 GFAF O=C(Cc1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12)OCc1cccs1 377602853 XZZUWQQACBBBHD-UHFFFAOYSA-N 375.817 2.731 0 1 GFAF CN1CCN(C2=C/C(=C/C=C3/C=c4ccccc4=N3)N(C)c3ccccc32)CC1 377853432 DGRKHRFMUILZKR-ACXSEBCSSA-N 382.511 2.606 0 1 GFAF CN1CCN(c2ccc3nc([C@H]4CSCN4C(=O)C(C)(C)C)[nH]c3c2)CC1 587044305 ZJIISMZGZMJDLX-QGZVFWFLSA-N 387.553 2.935 0 1 GFAF CCS(=O)(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 587131276 BTABWHMLTIZXLB-UHFFFAOYSA-N 386.420 2.975 0 1 GFAF COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587388143 WWCMIJOQJKKVDA-FQEVSTJZSA-N 392.452 2.759 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)O2 587400345 NAEOHXCRNRLSBG-UHFFFAOYSA-N 389.448 2.965 0 1 GFAF CS(=O)(=O)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607409 MMPGRDAYYLWTJH-VQIMIIECSA-N 385.397 2.704 0 1 GFAF CCOC(=O)[C@@H]1CC[C@@]2(CO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617773 QXEFVLRAAZTWRZ-FVJLSDCUSA-N 384.384 2.835 0 1 GFAF C[C@@]1(c2cn(Cc3ccccc3)nn2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229780 QAATYNRATZGMND-NZQKXSOJSA-N 399.454 2.737 0 1 GFAF COc1cc(Nc2ncc3c(n2)CCN(C(=O)c2cccnc2)C3)cc(OC)c1 1772648144 OBYUARSXZKLKQF-UHFFFAOYSA-N 391.431 2.831 0 1 GFAF O=C1Nc2ccccc2[C@@]12CCN(CCN1CCN(c3ccc(F)cc3)CC1)C2 1857762031 LWGRHUWDGXJMLE-QHCPKHFHSA-N 394.494 2.544 0 1 GFAF CC(=O)O[C@@H](C)[C@@H]1CC[C@@]2(O)[C@]3(O)C[C@H](O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C 2356448432 CZFZYEPCYFVTBZ-GODUHOJGSA-N 392.536 2.798 0 1 GFAF Fc1cccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NCc3ccco3)n2)c1 2356840566 MSIFKHQSZKZPQE-WTGUMLROSA-N 396.422 2.612 0 1 GFAF c1coc(CN[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5cccs5)n4)CO[C@H]23)c1 2356851723 QIZBEUZCJGFVES-JOCBIADPSA-N 384.461 2.535 0 1 GFAF CCCCCNC(=O)[C@H]1C(=O)Nc2ccccc2C(=O)N1c1ccc(OC)cc1 95599888 XTXNBAALPSUFTA-IBGZPJMESA-N 395.459 2.969 0 3 GFAF COc1cc([C@@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc(OC)c1OC 3934174 MDKFBOKRJCLOEH-FQEVSTJZSA-N 385.420 2.842 0 1 GFAF CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCO)cc1 4152170 YJJJWZRZUODGAE-TZIWHRDSSA-N 398.459 2.684 0 1 GFAF COc1cc2c(c(CO)c1OC)C[C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C2 4162270 RJZGHQFMKACAHM-MRXNPFEDSA-N 399.443 2.589 0 1 GFAF biogenic,in-vitro CN1CCN(C(=O)c2[nH]cc(-c3ccc(Cl)cc3)c2N2CCOCC2)CC1 27854455 HSYOYARUDZCSPK-UHFFFAOYSA-N 388.899 2.559 0 1 GFAF CC(=O)O[C@@H]1C[C@H](C)Cc2ccc(C)c(C=C[C@@H](O)C[C@H](O)CC(=O)O)c21 2356691240 CFHKAMNUJQAFGO-LCXNZCCVSA-N 376.449 2.781 0 1 GFAF COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)CC(=O)N2C)cc1 2356761390 DRUXYJWJUPVKGV-ZJDLJICXSA-N 399.535 2.595 0 1 GFAF O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cccc(N3CCNCC3)c12 64393124 CZHROXCCCQHSMO-UHFFFAOYSA-N 392.484 2.959 0 1 GFAF Cc1nccn1-c1cc(N2CCOC[C@H]2C)nc2c(-c3cc[nH]n3)nccc12 1911586805 ZQAZTUMBSUMOMT-CYBMUJFWSA-N 375.436 2.739 0 1 GFAF Cc1ccc(NCc2cccc(F)c2)cc1S(=O)(=O)N[C@H]1CCN(C#N)C1 45167538 ITIWZFSPZZLCPI-SFHVURJKSA-N 388.468 2.580 0 1 GFAF Cc1nc2cnc(Nc3ccnc(N4CC[C@@](C)(C(N)=O)C4)n3)cc2n1C(C)C 222725385 WPZKCOGUAMITHT-HXUWFJFHSA-N 394.483 2.556 0 1 GFAF in-vitro CC(C)Cc1ccc(-c2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 45354926 VRYNGXKQHUXZCX-GOSISDBHSA-N 390.439 2.953 0 1 GFAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(F)C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 45497946 GHUVMLRSPWIQQO-JKZXXMNZSA-N 382.472 2.564 0 1 GFAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCOc1ccccc1 95602017 ZPPYDKAZNWYPSN-OAQYLSRUSA-N 377.448 2.638 0 3 GFAF CNc1nc(Nc2ccc(C(=O)N3C[C@H]4C[C@@H]3CO4)cc2OC)ncc1Cl 149549188 IDHZNDGYRNMSEU-VXGBXAGGSA-N 389.843 2.537 0 1 GFAF C/C=C(\O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O)C(=O)O 263636731 IBSXOQJJZICENO-DVDLVMERSA-N 388.372 2.942 0 1 GFAF CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)CC(C)(C)C1=O 653791395 RHJCSODMHPFHAX-INIZCTEOSA-N 391.899 2.552 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(C(O)O)O2 587370108 BTLLYUKTEUSHJY-KRWDZBQOSA-N 378.222 2.511 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CCN(CC)C[C@H]1C(=O)OCC)CC2=O 587475911 NPIGJTAOVPFWRB-HRAATJIYSA-N 375.465 2.954 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CN(C(=O)C(F)(F)F)C2)N1 587709227 JMYLPHPRHCAELS-ZETCQYMHSA-N 381.167 2.722 0 1 GFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586958379 JIEPUCVRWFMLGT-HNNXBMFYSA-N 389.330 2.588 0 1 GFAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(=N)[nH]c3)nc2c1 587253176 CROOKZBLZNBLFI-UHFFFAOYSA-N 375.226 2.900 0 1 GFAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(=O)O)cc3[nH]2)cc1 587228471 MRZCSMSASAXLJK-UHFFFAOYSA-N 382.376 2.760 0 1 GFAF CCOC(=O)[C@@H]1COC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357350 NADLENRAXASVLV-YRISNDGFSA-N 386.375 2.839 0 1 GFAF CN(C)S(=O)(=O)c1cccc(-c2ccn(Cc3ccc(C(=O)O)cc3)n2)c1 957912705 ALZPVIBOJLWGQV-UHFFFAOYSA-N 385.445 2.547 0 1 GFAF CC(C)[C@]1(c2c[nH]c(C(=O)O)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963220611 FABSCTMRSQKLLW-GHTZIAJQSA-N 379.416 2.760 0 1 GFAF COC(=O)[C@]1(CC(C)=O)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640958 MPGKVBZVSYKAFH-REWPJTCUSA-N 378.472 2.781 0 1 GFAF CCCNC[C@H](O)Cn1c(C)c(C(=O)c2ccccc2)c(=O)n1-c1ccccc1 13555946 ZDTBXQFNLCGHOS-FQEVSTJZSA-N 393.487 2.539 0 1 GFAF COc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)O[C@@](C)(CO)CC2 3644978 MOBCUWLJOZHPQL-OAQYLSRUSA-N 384.384 2.956 0 1 GFAF endogenous,in-man CN(C(=O)CSc1nc(=O)cc(O)n1-c1ccccc1F)c1ccccc1 103685862 SMALCRJLFZYGJV-UHFFFAOYSA-N 385.420 2.832 0 3 GFAF CCOC(=O)N1CCC(C)(N2CCC(N3C(=O)N[C@H]4CCCC[C@@H]43)CC2)CC1 59125347 IVJDEIANCSDDAO-ROUUACIJSA-N 392.544 2.798 0 1 GFAF in-vitro CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2Cl)n1 2356579609 BGTJKRQOHHMKRI-ONCXSQPRSA-N 389.927 2.944 0 1 GFAF C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)CC1CCCCC1 61897163 OGXJYCJDWWLTTK-QGZVFWFLSA-N 384.523 2.514 0 3 GFAF CCN(C(=O)C1=CCC[C@@H]1C(=O)NCc1ccc(C(=N)N)cc1)c1ccccc1 36093445 KKIJXZYEIUZUKF-IBGZPJMESA-N 390.487 2.976 0 1 GFAF COCC(=O)/N=c1\[nH]c(-c2ccc3nccnc3c2)c(-c2ccc(F)c(C)n2)[nH]1 40935335 KONHKQGHKVXMTF-UHFFFAOYSA-N 392.394 2.536 0 1 GFAF CNCc1cc(S(=O)(=O)N(C)CCO)ccc1Oc1ccc(SC)cc1 40422953 LLPNSVGNDQVJJM-UHFFFAOYSA-N 396.534 2.533 0 1 GFAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F 95893657 QAQHZZQWCPTAPX-AABGKKOBSA-N 397.450 2.733 0 1 GFAF O=C(C1CCOCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 95569368 REIPENKEAUIUGY-XKQJLSEDSA-N 395.297 2.552 0 1 GFAF COc1cc2cc3[n+](cc2c(CO)c1OC)CCc1cc2c(c(OC)c1-3)OCO2 238743654 XLXWYPDVUYGBSA-UHFFFAOYSA-N 396.419 2.597 0 1 GFAF CN(C)C(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 147570907 RSNONJQAQOYQTF-UHFFFAOYSA-N 384.457 2.613 0 1 GFAF CN(C)CC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N(C)[C@@H]2CO 95878444 QJVRZUCWRMQCQN-LXBDKUERSA-N 397.494 2.755 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CCC2)cc1 95667358 NTXLBDSQIMZREH-DIQPWPLUSA-N 399.535 2.884 0 1 GFAF COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(OC)c3)ccc1N(C)[C@H]2CO 95877841 RASARJJJQQOVAW-HARLFGEKSA-N 396.487 2.709 0 1 GFAF CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)c1C 253656808 YUCQEDZULBKWMG-ULQDDVLXSA-N 389.496 2.623 0 1 GFAF O=C(c1ccnnc1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 299822166 MVAJUPUHFWLNRX-NRFANRHFSA-N 390.830 2.943 0 1 GFAF Cc1cc(CNC(=O)N2CCC(c3nc(Cc4ccccc4)no3)CC2)nn1C 299823023 CNHZEVOJLKWUSK-UHFFFAOYSA-N 394.479 2.792 0 1 GFAF OCCCNc1nccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)n1 653889644 VJMFWWBVVXORDP-UHFFFAOYSA-N 398.898 2.799 0 1 GFAF COc1ccc2c([C@]3(C(O)O)CC(=O)c4cc(C)cc(N)c4O3)cccc2c1 587404691 YSMJRKAGBCOGBV-QFIPXVFZSA-N 379.412 2.910 0 1 GFAF CCCN1C(=O)[C@](O)(C[C@]2(C)NCCc3c(C(=O)O)cccc32)c2ccccc21 963129005 DHVMYDBDCZNZHW-GOTSBHOMSA-N 394.471 2.780 0 1 GFAF COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496621 HPUXACWYEUDBLN-SUWCGCSTSA-N 396.418 2.516 0 1 GFAF COc1cccc([C@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)c1O 16958557 RBEXOAWNMJODKC-ZTHZXAOBSA-N 399.443 2.948 0 1 GFAF CC(C)[C@H](C)CCCC[C@H](O)CC[C@H](O)C[C@@H](O)CC[C@@H](O)CC(=O)O 2356341693 UTDBTRDONDSBIO-HVMFNXBNSA-N 376.534 2.708 0 1 GFAF CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F 3823456 AADWXNSPSUHKKF-AAVRWANBSA-N 378.231 2.752 0 1 GFAF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2cccc(OC)c2)CC[C@@]1(C)O 2356289680 XTCWWAGIZYHYJO-DNVJHFABSA-N 398.503 2.524 0 1 GFAF COc1ccc2c(c1)c(CC(=O)O)c(C)n2CC1=CCC(=O)N(C(F)F)C1 64526555 GNBHWNYDHWBHQP-UHFFFAOYSA-N 378.375 2.967 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43CO)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118913764 CDMVQQAHEQVSMF-QYHXECSCSA-N 390.520 2.577 0 1 GFAF C[C@@]1(CCCCC(=O)O)c2ccccc2-c2[nH]c(=O)c3nc(C(=O)O)cn3c21 28224186 QZARVXGDUOQXJD-HXUWFJFHSA-N 381.388 2.652 0 1 GFAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523661 MBZWSAFWQQFKOG-CIAFKFPVSA-N 376.504 2.942 0 1 GFAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccccc1 2356559947 KRAGWAXBWDXNLG-YHELAOLJSA-N 386.540 2.629 0 1 GFAF CC(=O)N1CC[C@@H]2[C@H]1C(=O)N(c1cccc(F)c1)C(=O)N2Cc1cccs1 4236364 IDMHHCRIJBNQMS-SJORKVTESA-N 387.436 2.845 0 1 GFAF biogenic O[C@](CNCc1cccnc1)(Cn1cncn1)c1ccc(Cl)cc1Cl 40828923 VGTFBBLRDLNLOA-QGZVFWFLSA-N 378.263 2.658 0 1 GFAF O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(N3CCSCC3)ccc21 95567868 QELLTEFJGYRFLQ-INIZCTEOSA-N 390.530 2.522 0 3 GFAF COc1ccc(-n2c(S)nnc2-c2csc(N(C(C)=O)C(C)=O)n2)cc1 96282324 ZQUCRTOPWQUGSQ-UHFFFAOYSA-N 389.462 2.588 0 1 GFAF CN(c1ncc(Br)cc1C#N)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 141995948 IGWPSWWDYJYIKA-CYBMUJFWSA-N 398.268 2.702 0 1 GFAF COC(=O)c1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2n1 587243988 FRRHMABWRORCDQ-UHFFFAOYSA-N 391.387 2.884 0 1 GFAF CCCOc1cc2nc(CCS(=O)(=O)N(C)C)[nH]c2cc1Br 586930154 GRDFDSHCSQOWGQ-UHFFFAOYSA-N 390.303 2.548 0 1 GFAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2nc[nH]n2)N1 587792547 OTAGVGPRIWGEQE-DYZYQPBXSA-N 388.244 2.927 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587121039 OZSDGVXCGMSETL-UHFFFAOYSA-N 399.276 2.638 0 1 GFAF O=C(CCN1CCOCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661462 OXOHVTBELHNROU-UHFFFAOYSA-N 381.407 2.565 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2CC[C@]3(C[C@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587595864 PDTCWXVGAAWUKM-USKDJOMHSA-N 395.411 2.565 0 1 GFAF NS(=O)(=O)Cc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 586930884 UYGQVMJFWFLPQT-UHFFFAOYSA-N 384.230 2.920 0 1 GFAF CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(C)C 586932349 CRVJZHMYBPXYJX-QGZVFWFLSA-N 378.498 2.864 0 1 GFAF NC(=O)c1cccc(NC(=O)/C=C\C(=O)N2CCCC[C@H]2Cc2ccccc2)c1 1772598925 PYVZAYARZDPDGX-CBUFDYBVSA-N 391.471 2.904 0 1 GFAF C[C@H]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)[C@@H]1C 5067727 ZWHGMKZMKUQXOB-UXLLHSPISA-N 389.521 2.796 0 1 GFAF O=C(Nc1ccnn1C1CCN(C(=O)C2CCCCCC2)CC1)[C@@H]1CCOC1 11843697 YGIHEGPHLKTBTD-QGZVFWFLSA-N 388.512 2.992 0 1 GFAF COc1ncc(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)cn1 12592943 QPTKOPIASIROCW-QFIPXVFZSA-N 380.492 2.656 0 1 GFAF Cc1cc(C)cc(N2CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)c1 169335004 QRQDRRFEPQKDRO-UHFFFAOYSA-N 389.503 2.799 0 1 GFAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCSCC2)no1 205497024 ILDRVEYXHXLZII-ZDUSSCGKSA-N 380.514 2.934 0 1 GFAF COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)c1 4238622 FNIZIGKWJGTDJC-UHFFFAOYSA-N 380.429 2.981 0 1 GFAF C[C@@H](CN1CCCCC1)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1ccccc1 25966935 XJAZQNWIEIGPLN-HKUYNNGSSA-N 386.492 2.668 0 1 GFAF COC(=O)C1=C[C@H]2C3=C(NCCCN)c4cc(Cl)ccc4N(C)C3=N[C@@H]2C=C1 103186514 YAZIZQJCEBXNHK-GDBMZVCRSA-N 398.894 2.505 0 1 GFAF C[C@@]12C[C@H](NC(=O)N1c1cccc(C(=O)Nc3nc[nH]n3)c1)c1ccccc1O2 101617503 FYOMRAZYCXZZDD-MGPUTAFESA-N 390.403 2.827 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(CN3CCOCC3)cc1)C2 28335264 DXPFFPDCRUGNRH-NRFANRHFSA-N 383.444 2.722 0 1 GFAF CC(C=CC=C(C)[C@H](O)[C@H](C)[C@H](O)C[C@@H](O)[C@@H](C)C(=O)O)=Cc1coc(C)n1 2356516543 AVEFIVAPRNVNCS-NGTQAZIISA-N 393.480 2.718 0 1 GFAF C[C@]1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CCN1CCc1ccccc1 61926071 ANASPOYPQARBJZ-HXUWFJFHSA-N 387.505 2.704 0 3 GFAF CC[C@@H]1C[C@H]2N3CC[C@]4(O)C(=Nc5ccc(OC)cc54)[C@@]2(C(=O)OC)C[C@H]1C3 2356518803 CKWXDLJHOHJWOX-RZWBUUGASA-N 384.476 2.652 0 1 GFAF Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 72123120 DNSZJAFGHJNCIE-UONOGXRCSA-N 376.411 2.555 0 1 GFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@H]3C)n1 218936891 VRVGLEWHAKZMDU-QMMMGPOBSA-N 376.392 2.600 0 1 GFAF O[C@@](CNCc1ccc2[nH]ccc2c1)(Cn1cncn1)c1ccc(F)cc1F 45316400 JRSRGGXEZSVQCV-FQEVSTJZSA-N 383.402 2.715 0 1 GFAF O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1Cc1cccnc1 199224464 WRDPFWBECXCIHF-FQEVSTJZSA-N 382.427 2.862 0 3 GFAF COCc1cc2c(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc(OC)n2n1 96933398 NBVWYJGOOAQQHF-UHFFFAOYSA-N 397.218 2.682 0 1 GFAF CCCNC(=O)N(C)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1 95895734 HCPOJXUXGPDORV-QHAWAJNXSA-N 395.503 2.707 0 1 GFAF CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1cccc(F)c1 95895248 ZJXUDCKKEIQJBB-UFYCRDLUSA-N 399.466 2.504 0 1 GFAF O=C1c2c(O)cc(O)c(Cc3ccc(O)cc3)c2O[C@@H](c2ccc(O)cc2)[C@H]1O 43019861 HELLEJINRNHBKU-SFTDATJTSA-N 394.379 2.777 0 1 GFAF biogenic COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccco4)Cc4nc(=N)[nH]cc41)[C@@H](C2)C3=O 587431855 HPISCWMHXQRMEW-AHASJALOSA-N 389.411 2.864 0 1 GFAF COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2c(C(=O)O)cccc12 587638923 JVCDTJXNWIYNFM-UHFFFAOYSA-N 398.371 2.620 0 1 GFAF CCCNC[C@H](O)Cn1c(C)c(C(=O)c2cccs2)c(=O)n1-c1ccccc1 13555969 JCKJIYACBBECQA-KRWDZBQOSA-N 399.516 2.600 0 1 GFAF CC(C)(c1cc([C@@]23CCOC[C@@H]2C3)nc(-c2cccc(O)c2)n1)S(C)(=O)=O 1857582829 UGPOTDKTCTWFSI-VBKZILBWSA-N 388.489 2.807 0 1 GFAF COC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1 596999 UMSHZWFCVXIDEO-UHFFFAOYSA-N 388.380 2.512 0 1 GFAF Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cn1 841380 FVYLDRLDRJJWDM-UHFFFAOYSA-N 382.367 2.909 0 1 GFAF COc1ccc(OC)c(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)c1 2602293 SLJLXLVYXXTUNH-INIZCTEOSA-N 398.506 2.707 0 1 GFAF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4053669 KIUONUXAPBRWKD-NUJGCVRESA-N 383.473 2.625 0 1 GFAF O=C(c1ccc(C[S@@](=O)c2ccccc2)o1)N1CCC2(CC1)OCCO2 20240511 FWKBGBAYQIHFAB-SANMLTNESA-N 375.446 2.567 0 1 GFAF COc1cccc(-c2n[nH]c3c2CN(S(=O)(=O)c2cccs2)CC3)c1 23478436 PPTLPRYZTLVFFO-UHFFFAOYSA-N 375.475 2.894 0 1 GFAF COC(=O)[C@]12CCCN1C(=O)[C@](Cc1ccc3ccccc3c1)(NC(C)=O)CC2 26577127 XYUZRXVCUAYUFB-XZOQPEGZSA-N 394.471 2.585 0 1 GFAF CCC=C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)C(=C6OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 2356497729 XNUWGEPKIOWLHQ-HODGBDMDSA-N 385.460 2.866 0 1 GFAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(C)[C@@H](O)CCC(C)(C)[C@H]12 2356517955 ZPZIYHULOGDSFI-ZRFIAJBVSA-N 394.508 2.756 0 1 GFAF CC(C)CN(CCCN1CCN(CCCNc2cnccn2)CC1)CC(C)C 27206287 BQQDXHOPCWJDCM-UHFFFAOYSA-N 390.620 2.900 0 1 GFAF CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2Cc3c(-c4ccco4)ccnc3O2)c1 61906725 NHQZXSUHDJQGKD-KRWDZBQOSA-N 399.428 2.655 0 3 GFAF CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](C(=O)O)c3ccccc3)c12 6708288 HLZDGQVMTFNNGF-NRFANRHFSA-N 395.411 2.985 0 1 GFAF biogenic Cc1c2c(n3c1CCNCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71318924 ONSZXRWGRDRNEL-UHFFFAOYSA-N 380.492 2.597 0 1 GFAF NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1OC1(CCC1)C21COC1 220714785 MIWGEPYDEJPCPW-NRFANRHFSA-N 381.407 2.760 0 1 GFAF CC(=O)O[C@@H]1[C@H](C)C[C@H]2[C@H]3[C@@H]1[C@H]1C[C@](C)(O)C(=O)CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 195204383 XZPFJFYBJFLLCW-TZGGOTTOSA-N 394.508 2.503 0 1 GFAF CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 40393412 AMKCCWCEGZXQCR-UHFFFAOYSA-N 391.435 2.592 0 1 GFAF Cn1c(OC[C@@H]2CCN(c3ccccc3)C2)nc(-c2ccncc2F)cc1=O 146505221 VDZQOEKMFAUPBW-OAHLLOKOSA-N 380.423 2.887 0 1 GFAF CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@@H]21 95894246 HPIFXWSTHYBMFD-XUVXKRRUSA-N 397.450 2.733 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)c2ccncc2)cc1 95895011 UEFOLBWVTVSDRS-FTTBZJOESA-N 393.487 2.610 0 1 GFAF CS(=O)(=O)Nc1ccccc1-c1ccc(C(F)(F)P(=O)(O)O)cc1 96284998 VXOJISWJJQEZDD-UHFFFAOYSA-N 377.305 2.952 0 1 GFAF CS(=O)(=O)c1ccc(-c2cccn3nc(NCc4ccccn4)nc23)cc1 96169909 GGERYBDUCVWWBL-UHFFFAOYSA-N 379.445 2.807 0 1 GFAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2C[C@H]3CC[C@H]2C3)cc1F 261083613 CDOTYXYWRXPXRN-DCAQKATOSA-N 375.849 2.984 0 1 GFAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@@H]3C[C@@H]3F)n2)cc1OC(F)F 653680458 HUSJMLCNDKZUPC-YFKTTZPYSA-N 393.369 2.525 0 1 GFAF CCCCNS(=O)(=O)c1ccc2nc(Cc3cc(N)ccc3F)[nH]c2c1 587142224 OJZCFVOWEVQQCO-UHFFFAOYSA-N 376.457 2.953 0 1 GFAF CCC[C@@]1(CC(=O)N[C@H]2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587511392 PPGBHNIGLWYOEH-JTSKRJEESA-N 385.460 2.891 0 1 GFAF CCOC(=O)[C@H](C)[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230305 XKCIZKIEFMUCDP-RNCGHPTOSA-N 396.365 2.791 0 1 GFAF CCOC(=O)[C@]1([C@H]2CCC(C)(C)CC2=O)NCCc2c1c(C(C)C)nn2C 962916956 XZBJAGLZZUWLAP-LHSJRXKWSA-N 375.513 2.843 0 1 GFAF CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 5070101 JGRIESZLOZOBRQ-PKOBYXMFSA-N 388.508 2.654 0 1 GFAF O=C(O)C1=C(Br)C2=N[C@@H](c3ccccc3)C[C@H](C(F)(F)F)N2N1 13131006 SHTWFNUMLPJWME-RKDXNWHRSA-N 390.159 2.972 0 3 GFAF O=C(Nc1ccncc1)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 200260072 NOLNVTCPLFOTPX-UHFFFAOYSA-N 376.363 2.753 0 1 GFAF Cn1nccc1-c1coc(C(=O)N[C@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c1 1857610863 ISDJUNKHWDUIRU-YOEHRIQHSA-N 386.402 2.834 0 1 GFAF O=C(Nc1ccc(OC(F)(F)F)cc1)O[C@H]1COc2nc([N+](=O)[O-])cn2C1 1486856 BFGKIVVTPDSBJF-SNVBAGLBSA-N 388.258 2.700 0 1 GFAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCN1CCOCC1 4213465 BALZSEYDMDMTEL-MOPGFXCFSA-N 377.485 2.742 0 1 GFAF O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCCCCC1 7991635 OHDRKYIAFNMZNY-SSTJLMRISA-N 392.499 2.807 0 1 GFAF CC(=O)Oc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1N(C)C 13746099 AVUOVVXVXIQQPB-HHHXNRCGSA-N 384.461 2.566 0 1 GFAF O=C(O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832035 VVJUKABKTYTLMN-UHFFFAOYSA-N 378.428 2.969 0 1 GFAF CN(C)CCc1cc2c(cc1[C@H]1Cc3ccc4c(c3C(=O)O1)OCO4)OCO2 14650026 CVFMLLFLGTVLGJ-MRXNPFEDSA-N 383.400 2.702 0 1 GFAF biogenic COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1N1CCNCC1 27649617 UZPGUNXBLLGKSN-UHFFFAOYSA-N 381.885 2.559 0 1 GFAF Cn1c(Cc2cccs2)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1 45348503 VHWYUMTZLRBOPH-UHFFFAOYSA-N 396.472 2.600 0 1 GFAF Cc1cc(-c2nc3c([nH]2)C2=N[C@H](C)CN2C(=O)N3Cc2ccccc2)nn1C 72107923 VBUCJPOBSNVRTH-GFCCVEGCSA-N 375.436 2.710 0 1 GFAF COC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82086167 QRBBVTJVAGMEBS-HNNXBMFYSA-N 386.429 2.891 0 1 GFAF CC(C)[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1 82206211 XSWMELMMYDOFSS-GOSISDBHSA-N 391.475 2.516 0 1 GFAF O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc3nccn3c2)c(F)c1 103255134 UCBOQKWCVAKXSI-HNNXBMFYSA-N 378.367 2.757 0 1 GFAF Cn1ccc(C2=NC(=O)N[C@H](c3ccc(C(=O)O)c(O)c3)[C@H]2c2ccsc2)n1 169702749 ODEXPODBENTCPE-HZPDHXFCSA-N 396.428 2.923 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCNCC1 169714054 RLBFPICNIBRUCB-XEAGOBSMSA-N 385.552 2.691 0 1 GFAF NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1 221619970 WRDSHVOSCHDAKP-UHFFFAOYSA-N 395.365 2.928 0 1 GFAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)CO)CC3)cc12 226065067 NAWNCEFBLJLRNH-UHFFFAOYSA-N 381.407 2.986 0 1 GFAF CC1=C(c2ccc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c3c2)NNC(=O)C1 586924449 QHYYHQDSSBLITM-MDZDMXLPSA-N 394.456 2.763 0 1 GFAF COc1cc2c3c(c1)O[C@@](CN1C(=O)CCC1=O)(c1ccccc1F)[C@@H](C2)C3=O 587426461 OAJKSLXYLXXQNT-NYHFZMIOSA-N 395.386 2.626 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)[C@@H](C2)C3=O 587426705 ATUXHNAYMQGNCQ-KQHSUYLTSA-N 391.420 2.569 0 1 GFAF CCOC(=O)Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587759083 KFAFMNDPVNDIAT-BMLIUANNSA-N 396.260 2.971 0 1 GFAF COC(=O)c1ccnc(-c2cc(C(C)=O)n3ccc(N4CCOCC4)cc23)c1 653808066 HPLNFXRXSDGSIV-UHFFFAOYSA-N 379.416 2.827 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@]1(C=CCCN(C(=O)OC(C)(C)C)C1)NCC2 962930543 YMXDYUCVJYMPAC-JOCHJYFZSA-N 385.508 2.926 0 1 GFAF O=C1COc2ccc([C@@]3(C(=O)O)c4ccc(F)cc4C[C@H]4CCCN43)cc2N1 963113449 TYBYBJKRWPFESR-VFNWGFHPSA-N 382.391 2.505 0 1 GFAF CNC(=O)C(=O)NCCCC/C=C\CCCCCCCCCP(=O)(O)O 1857552779 AJZFCBXAJBCVOW-ALCCZGGFSA-N 390.461 2.874 0 1 GFAF COc1c(OCCCN(C)CCO)c(O)cc2oc(-c3ccccc3)cc(=O)c12 1857651904 UZKMHMXDUBRHLQ-UHFFFAOYSA-N 399.443 2.867 0 1 GFAF CCN(CC)C(=S)SCc1ccc(NC(=O)CC[C@H](N)C(=O)O)cc1 1911579483 FYTNEQSXHWJQRJ-AWEZNQCLSA-N 383.539 2.677 0 1 GFAF CC(C)CCNC[C@@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O 2356301444 ANGOZRYREDMATQ-JBACZVJFSA-N 379.545 2.747 0 1 GFAF C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1 4956059 XPMBAMATSNRVFM-CRAIPNDOSA-N 395.503 2.803 0 3 GFAF Cc1ccccc1CNC(=O)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61930458 GCCWWDWKQCTRAP-RCCFBDPRSA-N 398.484 2.718 0 3 GFAF CN[C@@H]1CSCON2CCc3c([nH]c4ccc(O)c(Br)c34)[C@@H]12 15209829 KXCXRECQMGYZIE-MEBBXXQBSA-N 384.299 2.759 0 1 GFAF biogenic CCOc1cc2ccc(OCCn3ncc4ccccc4c3=O)cc2oc1=O 26572032 IWVFVEOMVXHYCN-UHFFFAOYSA-N 378.384 2.981 0 1 GFAF CN1CCN(C(=O)[C@@H]2C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)CC1 28568965 VNXBDWUNAYPTRF-GRCBHGABSA-N 398.547 2.609 0 1 GFAF in-vivo CNc1nc2cc(-c3cccc(C[C@H](N)C(=O)O)c3)sc2n2c(C)cnc12 28950789 IWEXBKWHHLZUMK-ZDUSSCGKSA-N 381.461 2.916 0 1 GFAF Brc1cnn2c(NCc3cccnc3)cc([C@@H]3CCCNC3)nc12 28958962 XETHRXRKOYUSND-CYBMUJFWSA-N 387.285 2.966 0 1 GFAF CO[C@H]1[C@H]2[C@@H](O)O[C@@H]1[C@]1(C)CC[C@@]3(C)CCC([C@H](C)CO)=C3[C@H]1C[C@H]2OC 34096845 BRTUEJWZRSMTSY-AQGXZZJBSA-N 380.525 2.895 0 1 GFAF CCc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 38215326 LLQJQYIOQUUNMV-IBGZPJMESA-N 384.476 2.930 0 1 GFAF CCCCOC(=O)N1CCN(c2ccc([C@@H]3CC(C(=O)O)=NO3)cc2)CC1 40405486 UTBMGPPZZWDNPM-KRWDZBQOSA-N 375.425 2.647 0 1 GFAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)Cn3cnc4cnc(N)nc43)C[C@@H]1O2 40933275 WUBJKUWLFUDEOR-BNLOLNQZSA-N 393.447 2.951 0 1 GFAF COc1c2c(c(O)c3ccoc13)C(=O)[C@H]1c3cc4c(cc3OC[C@H]1O2)OCO4 40974222 VXXNCSXOVPYONX-KGLIPLIRSA-N 382.324 2.996 0 1 GFAF COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1cccnc1C3=O 84588025 KSGBTUTXJASBMO-UHFFFAOYSA-N 393.443 2.577 0 1 GFAF O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 95893525 UUOOIEDXIALFME-SLFFLAALSA-N 395.434 2.943 0 1 GFAF COc1cc2c(cc1[C@@H](O)[C@@H]1CCCN(Cc3ccccc3)C1=O)OCCO2 103282811 CWBXTSZZIXFNRG-KKSFZXQISA-N 383.444 2.939 0 1 GFAF O=C(c1n[nH]c2ncccc12)N1CCc2nc(COc3ccccc3)oc2C1 113252433 CACDSTLXMIALPW-UHFFFAOYSA-N 375.388 2.723 0 1 GFAF CC(C)Nc1nc(-c2ccc(N3CCN(C)CC3)cc2)cc2ncn(C)c(=O)c12 115624421 QVSANSACNPTGIT-UHFFFAOYSA-N 392.507 2.568 0 1 GFAF COc1ccnc(N2C[C@H]3CN(C(=O)c4ccc(F)c5ccccc45)C[C@H]3C2)n1 116825153 UQOMQTRAYAAQIV-GASCZTMLSA-N 392.434 2.986 0 1 GFAF CC(C)Cc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc(N)n1 146495942 UUPNCUHSQHBGSS-AWEZNQCLSA-N 376.844 2.857 0 1 GFAF CSc1nn(-c2ccccc2)c2cc(N3CC(N4CCNCC4)C3)ccc12 147342877 HSPIDNBZGKRDCI-UHFFFAOYSA-N 379.533 2.841 0 1 GFAF CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCC3)c2cn1)c1ccccc1 210820834 BRSSLWOHHHAAGH-KRWDZBQOSA-N 380.452 2.802 0 1 GFAF COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CCC[C@]21[C@@H](N)C[C@H]34 238762104 KJVGBOUBESFLFR-OTCOBQMVSA-N 386.492 2.556 0 1 GFAF C[C@]12CC[C@@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 255260998 QJPCKAJTLHDNCS-QCAVTQHCSA-N 390.520 2.719 0 1 GFAF COc1cccc(CNC(=O)Nc2ccc(C3=NC=N[C@H]4NC=C[C@H]34)cc2)c1 299870156 VXWKWVCSWMPYPN-UYAOXDASSA-N 375.432 2.907 0 1 GFAF COC(=O)C(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587803435 APAXRHSOSBCLDG-HUTHGQBESA-N 384.245 2.860 0 1 GFAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=N[C@@H]3[C@@H]2C(=O)NC(=O)N3C)cc1 618016377 RCPDDUVZAOLYBO-NXHRZFHOSA-N 383.448 2.989 0 1 GFAF Cc1c(F)ccc2c1[C@H]([C@H]1CCN(C(=O)CNC(=O)OC(C)(C)C)C1)NCC2 962378581 SVXHBTINJJEAKN-KXBFYZLASA-N 391.487 2.694 0 1 GFAF O=C(c1cnn(-c2nc(O)c3c(n2)CCC3)c1)N1CCC(CC(F)(F)F)CC1 1857533967 UKLJZUSKXPWEBI-UHFFFAOYSA-N 395.385 2.661 0 1 GFAF C=CC(=O)Nc1ccc(CNc2cc(Nc3cnn(CCOC)c3)ncn2)cc1 1857619999 USASTERQYJIQNG-UHFFFAOYSA-N 393.451 2.800 0 1 GFAF CCCSc1nc(N2CCOCC2)c2ncc(=O)n(Cc3ccccc3)c2n1 1857654667 ZRPLWSQEXVRJIP-UHFFFAOYSA-N 397.504 2.574 0 1 GFAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(Cc1cccc(OC)c1Cl)CC2 1857765134 FJBKCKCHFOMGHN-UHFFFAOYSA-N 375.904 2.743 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C(=O)[C@H](O)[C@H](C)[C@]23CC[C@]2(C=COC2)O3)C1(C)C 2356590238 HOIUWXWVVKJHSD-MNBUHNARSA-N 392.492 2.772 0 1 GFAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCC2CCOCC2)O3)c1 61904892 YYCDGUJYVPMDMJ-HXUWFJFHSA-N 380.444 2.798 0 3 GFAF CC[C@H](C)CN1C(=O)CSC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 199231409 RPKQBIUBFDVKBM-DJJJIMSYSA-N 378.494 2.777 0 3 GFAF COC(=O)C1=C(C)[C@@H](O)[C@@H](C)[C@H](c2c(OC)c(OC)c(C)c(OC)c2OC)O1 7998501 RMHDUAVOJMBKRM-BIGNPOOSSA-N 396.436 2.545 0 1 GFAF O=C(O)[C@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)/C=C/c1ccccc1 13446721 UVMYFKQUJSEVSG-YVNCXZRQSA-N 387.439 2.983 0 1 GFAF C[C@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)s1)CO 13729587 NXHPCPQJABQEDR-RZEIDYGVSA-N 393.505 2.905 0 1 GFAF Cc1cccc(NC(=O)N[C@@H]2N=C(N3CCCC3)c3ccccc3N(C)C2=O)c1 13734840 PGOJZWSRPJMLLS-IBGZPJMESA-N 391.475 2.962 0 1 GFAF COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2cc(OC)c3c(c2)OCO3)ccc1O 14646786 FZFUSCRYZHVQNP-LSDHHAIUSA-N 386.400 2.713 0 1 GFAF biogenic COc1ccc([C@]23OC[C@]24[C@@H](CO)[C@@H]4Cc2cc(OC)c(OC)cc23)cc1OC 28219764 IJIWCXXEKDKLBN-BSWISCRUSA-N 398.455 2.776 0 1 GFAF CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82133503 WYFCJKNSHOFLLZ-HZPDHXFCSA-N 395.507 2.810 0 1 GFAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCCC1)CC3 82196192 FHZUQDJPPXMSDG-UHFFFAOYSA-N 380.448 2.987 0 1 GFAF O=c1n(Cc2nc(Cl)c(Cl)n2CCCCO)c2cnccc2n1C1CC1 95592672 BPQZHVQIKFCWMJ-UHFFFAOYSA-N 396.278 2.857 0 1 GFAF COc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CC2)CC[C@]351)OCCO4 105266703 ZKNHXBONWOGIMA-LFWOZUSOSA-N 383.488 2.888 0 1 GFAF O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(Br)cc1F 114605393 QGGLLVQWTIFXTN-UHFFFAOYSA-N 398.217 2.569 0 1 GFAF Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3cccc(C)c3C)c2=O)c1 299855791 GGFWBLZIVVIIBB-UHFFFAOYSA-N 391.471 2.931 0 1 GFAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(S(=O)(=O)CC)cc3[nH]2)c1 586921635 JWSJRXGFRSJORV-UHFFFAOYSA-N 392.502 2.741 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587229462 AWVUJEGFZFQJCP-UONOGXRCSA-N 385.443 2.924 0 1 GFAF COC(=O)c1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1OC 587253760 DMEPMRBVDFRNMF-UHFFFAOYSA-N 375.388 2.895 0 1 GFAF O=C(O)CCc1nc2nc(O)nc(O)c2cc1CC(=O)c1ccc(Cl)cc1 587368188 DRJCIVLEDCIQHX-UHFFFAOYSA-N 387.779 2.532 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(O)ccc12 587594422 KVIIMWHCHJDFFQ-LAUBAEHRSA-N 375.336 2.907 0 1 GFAF Cc1c(F)ccc2c1[C@@](CN1C(=O)[C@H]3C[C@H]3C1=O)(c1ccc(F)cc1)NCC2 962380615 XDKPHIZUHKKZKY-HYFFOGBASA-N 382.410 2.667 0 1 GFAF Cc1nc(Cl)sc1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1 1857569691 KPDKVPMCNPDWHD-UHFFFAOYSA-N 377.963 2.990 0 1 GFAF c1cncc(-c2cc(=NCCCCN3CCOCC3)nc(-c3ccncc3)[nH]2)c1 1857585279 SRPXSJLZNQFFAH-UHFFFAOYSA-N 390.491 2.547 0 1 GFAF O=C(Nc1ccccc1)c1cc([C@H]2COCCN2C(=O)c2ccccn2)on1 61906839 ZDFJJIOMPXCEEK-QGZVFWFLSA-N 378.388 2.536 0 3 GFAF COc1ccc(CN2C(=O)CSC[C@]2(C)C(=O)NCc2ccccc2)cc1 95604575 BYWSXDYHKCVYRX-OAQYLSRUSA-N 384.501 2.846 0 3 GFAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2Cl 5410009 KUAKYFCHUDSMNU-FQEVSTJZSA-N 382.803 2.733 0 1 GFAF CCn1c(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2cccnc21 26825986 QOLDCLWHRORCOV-HNNXBMFYSA-N 382.445 2.924 0 1 GFAF CCOC(=O)CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1 45353357 ALRAARPLEVJHRN-GFCCVEGCSA-N 379.848 2.711 0 1 GFAF COc1ccc(-c2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 103193659 QJDYPTRYVIRCQZ-AWEZNQCLSA-N 378.388 2.737 0 1 GFAF Nc1ccccc1NC(=O)CCCCCNS(=O)(=O)c1ccc(F)cc1 117587855 SNKHVLQDMDSYMB-UHFFFAOYSA-N 379.457 2.885 0 1 GFAF C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)n1C 146993786 UBSOPOINCBHRFG-CQSZACIVSA-N 384.505 2.506 0 1 GFAF CCS(=O)(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2ccc(Cl)cc2Cl)C1 169313590 JZUYHIAQGMBZNI-PSOPSSQASA-N 391.320 2.783 0 1 GFAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3ncco3)ccc1-2 220192988 QKKLFZIOKAQMDQ-MRXNPFEDSA-N 395.415 2.591 0 1 GFAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@]23O)ccc1O 257452426 JDOYVXXEQQTICM-MSPZUWAUSA-N 388.416 2.608 0 1 GFAF endogenous,in-man Nc1ccccc1/C=C/c1ccc([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1 263620779 NAVOUHWZGHPJBG-YOKLGZCWSA-N 391.360 2.739 0 1 GFAF in-vitro N[C@H](c1nc2cc(I)cnc2[nH]1)c1ccc(F)cc1F 587148974 CCVDYLAPNNOMDW-NSHDSACASA-N 386.143 2.889 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)C2CCOCC2)N1 587752605 DVBWRCWUKZZWHQ-QLJPJBMISA-N 385.277 2.706 0 1 GFAF COC(=O)C(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587803671 BFJLJYOSOXGWOM-VVVCHXIZSA-N 384.245 2.860 0 1 GFAF Cc1cc([C@H]2NCCc3c2c(C(C)C)nn3C)c(C)n1CCN1CCOCC1 962921440 TYUBPGNHWDRAAO-JOCHJYFZSA-N 385.556 2.529 0 1 GFAF CN1CCN(c2ccccc2[C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)CC1 963038754 ZVBGSRPAAISTMJ-MWTRTKDXSA-N 376.504 2.581 0 1 GFAF Cc1nonc1[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189499 WTKYHFPYSFIXTD-YMTOWFKASA-N 375.734 2.913 0 1 GFAF COc1ccc(CNC2=C(c3cn(C)c4ccccc34)C(=O)N(C)C2=O)cc1 1857596771 OFCKUELZTUQZNQ-UHFFFAOYSA-N 375.428 2.686 0 1 GFAF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2cccc(OC)c2)CC[C@@]1(C)O 2356289681 XTCWWAGIZYHYJO-YTFSRNRJSA-N 398.503 2.524 0 1 GFAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@H]1O 2356315908 QRLPNJWAPSTPDF-AXRJJWBKSA-N 376.541 2.619 0 1 GFAF CCOC(=O)c1cc([C@@]2(O)CCN(C[C@H](C)CC)C2=O)c(-c2cc(C)no2)[nH]1 1653952 CNOKFXLSLBHYKD-ODXCJYRJSA-N 389.452 2.621 0 1 GFAF CCOC(=O)Cn1c(=O)cc(C(F)(F)C(F)(F)F)c2c(C)nn(CC)c21 6857900 UKGYTCPMCGKPHS-UHFFFAOYSA-N 381.301 2.744 0 1 GFAF Cc1ncccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1 13812830 JPWKLILKLRXARO-UHFFFAOYSA-N 382.367 2.909 0 1 GFAF COc1cc(CC(=O)NC/C(=C/Cc2ccccc2)COC(C)=O)ccc1O 26741145 QPWNWAFINCAXBZ-OCKHKDLRSA-N 383.444 2.792 0 1 GFAF COP(=O)(OC)N1C(=O)[C@@H](C)[C@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 29476502 DFVOJHWDGTUIOJ-QEJZJMRPSA-N 382.353 2.645 0 1 GFAF CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccccc3)C(=O)O2)cc1 40845103 URDGAIXSCSNCDL-VWOYCULZSA-N 381.428 2.671 0 1 GFAF COc1ccc(/C=C2/C[C@@](CO)(COC(=O)c3ccc(C)cc3)OC2=O)cc1 40846721 KQNGEGIVAGMRPW-IFNMQTAJSA-N 382.412 2.922 0 1 GFAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cn1 103252867 KPRDTOPSYBCQQG-UHFFFAOYSA-N 395.366 2.605 0 1 GFAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(CO)cc2[nH]1 586953646 PQJGNDWIBISEKP-UHFFFAOYSA-N 386.458 2.980 0 1 GFAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586957805 CZMJALCJKLNDBL-CQSZACIVSA-N 387.248 2.734 0 1 GFAF O=C1COc2cc3[nH]c(CSc4nc(-c5cccnc5)no4)nc3cc2N1 586966955 NNBZHWDZUADEBP-UHFFFAOYSA-N 380.389 2.631 0 1 GFAF COC(=O)c1ccnc2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc12 587112178 PMDODDORSAOTRK-UHFFFAOYSA-N 378.310 2.693 0 1 GFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 587208143 ZSVREOWZWKNSNQ-INIZCTEOSA-N 379.376 2.881 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1c(I)ncn1C)[C@@H](C2)C3=O 587428976 RQWHZEBOZAEWAK-LKFCYVNXSA-N 396.184 2.522 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 962924618 ULELABOUNHJTOC-KXBFYZLASA-N 381.363 2.633 0 1 GFAF N[C@H](CC[P@](=O)(Oc1ccccc1)Oc1cccc(CC(=O)O)c1)C(=O)O 1772649082 QVSLIJZSAPYYGQ-JWIGPWBQSA-N 393.332 2.767 0 1 GFAF Fc1ccccc1CN1CC2(CN(Cc3ccccc3)C[C@H]3COCCN32)C1 2356289250 RXOQURTUSHGHLQ-NRFANRHFSA-N 381.495 2.597 0 1 GFAF CO[C@H]1CC[C@@H](C[C@H]2COC(=O)[C@H]2C[C@@H]2CC[C@H](O)[C@H](OC)C2)C[C@H]1OC 2356665231 YYGRXNOXOVZIKE-QGBULDMBSA-N 384.513 2.562 0 1 GFAF CC(C)C[C@@H]1NC(=O)[C@H]2C[C@]3(c4ccccc4)c4ccccc4N[C@H]3N2C1=O 201481989 KWDUCMHUQNDRMK-YDLSIGKMSA-N 375.472 2.870 0 3 GFAF CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N[C@@H](C)CC)c21 4597972 ACZCFOHCPFMHFN-JTQLQIEISA-N 389.315 2.825 0 1 GFAF Cc1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@@H]4C3=O)cc2)cc1 6877534 CGWKCRXZFLKMQN-HXUWFJFHSA-N 391.471 2.971 0 1 GFAF C[C@]1(O)OC(=O)C(c2cc(F)cc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 13488610 KRTQGUUHKYUHLI-SFHVURJKSA-N 380.368 2.544 0 1 GFAF NC(=O)[C@@H](N)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29127768 RAGHPJGRUNIWIU-INIZCTEOSA-N 380.473 2.605 0 1 GFAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)Cn3cnc4c(N)ncnc43)C[C@@H]1O2 40933281 KLDTZXDMVHXKIB-FFSVYQOJSA-N 393.447 2.951 0 1 GFAF Cc1cc(C)nc(O[C@H](C(=O)O)C(CO)(c2ccccc2)c2ccccc2)n1 72172011 LYHUKQHBVXTMBZ-LJQANCHMSA-N 378.428 2.904 0 1 GFAF CCCCOCCOC(=O)CNC(=O)c1csc(Nc2ccccc2)n1 82085005 OFUPBQOAYFCDAM-UHFFFAOYSA-N 377.466 2.976 0 1 GFAF COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82085509 KJLMATWMORFLJP-HNNXBMFYSA-N 376.434 2.605 0 1 GFAF COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@@H]2c1cc(OC)c2c(c1OC)OCO2 84614562 RBOAKPUWPBGXKH-INIZCTEOSA-N 398.367 2.776 0 1 GFAF CC(C)(CO)COc1cccc2ccc(-c3nnc4cc(CN)ccn34)nc12 96174965 HQKQOEMBHUHWCM-UHFFFAOYSA-N 377.448 2.801 0 1 GFAF CC(C)C[C@H]1NC(=O)C(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)=C1O 100603586 XSCRLRPPLAGOLB-GFCCVEGCSA-N 377.384 2.934 0 1 GFAF Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](Cc4nnn[nH]4)CC3)cc2)nc1C(N)=O 101581703 IMWRAMRCTOCWEX-GASCZTMLSA-N 391.479 2.889 0 1 GFAF NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 103269647 ZGOJGPOZFPRXHR-UHFFFAOYSA-N 391.865 2.821 0 1 GFAF Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3ccccn3)c2c1=O 115626614 JFPWYXWNCPJSCN-UHFFFAOYSA-N 388.431 2.757 0 1 GFAF COc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F 224812710 QPNRJVLFGWUWBZ-UHFFFAOYSA-N 388.424 2.912 0 1 GFAF CN(C)CCN1C(=O)c2cccc3cc(I)cc(c23)C1=O 473135452 PUAGMRYTVMYQHM-UHFFFAOYSA-N 394.212 2.602 0 1 GFAF COc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1C 587133848 DFQIWVSVCIEZBW-UHFFFAOYSA-N 385.367 2.776 0 1 GFAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1S(C)(=O)=O 587408894 JNSNOJUTVWZWBQ-IBGZPJMESA-N 375.446 2.870 0 1 GFAF Cc1nn(C)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1Br 587651332 QQFFZAACTRLAHS-UHFFFAOYSA-N 381.617 2.543 0 1 GFAF NC(=O)c1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660107 NLTAKJQBYICJQK-UHFFFAOYSA-N 387.370 2.990 0 1 GFAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587927431 QLCWARAECVCVFU-LBPRGKRZSA-N 375.450 2.769 0 1 GFAF Cc1ccnn1C[C@@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963138345 GLRGCBPEVVWLCC-UGSOOPFHSA-N 392.481 2.810 0 1 GFAF CCOc1ccccc1[C@]1(CCC(=O)O)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963490617 LFNFQIBLGIGZCK-AOMKIAJQSA-N 399.443 2.807 0 1 GFAF CC(C)NC[C@@H]1O[C@@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O 2356301801 FRXBYCFMJWNSRC-HJNYFJLDSA-N 387.524 2.756 0 1 GFAF COc1ccc(-c2noc([C@H](C)NC(=O)c3cc(C)n(C)n3)c2C(=O)O)cc1 2356302391 UJZYIWSJCFUIHU-NSHDSACASA-N 384.392 2.581 0 1 GFAF CC(=O)N[C@H]1CSCON2CCc3c([nH]c4ccc(Br)cc34)[C@H]12 2356306527 DUTYWVNXOZDNLC-HOCLYGCPSA-N 396.310 2.970 0 1 GFAF CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)[C@@H]1CCC(=O)N1)c1ccccc1 4571447 NJVYCAJEZSHBDW-AVRDEDQJSA-N 385.508 2.916 0 3 GFAF O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 5035701 SKJRXRLQRXDECP-MRXNPFEDSA-N 399.472 2.545 0 3 GFAF N[C@@H](c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1)C1CCCCC1 61907668 CSPGDGGKNNHKJL-QGZVFWFLSA-N 389.525 2.974 0 3 GFAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cccc2)CC1 597567 CEKFELMZQQJCFV-UHFFFAOYSA-N 383.492 2.939 0 1 GFAF COc1c(OC(C)=O)ccc2c1C(=O)N1CCc3cc4c(cc3[C@H]1C2)OCO4 5883347 DMUHZKPEYXYPKA-OAHLLOKOSA-N 381.384 2.645 0 1 GFAF biogenic Cc1c(N2C[C@H]3CCC[C@H](N)[C@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6521010 KHOPYWWNINHNHA-SKDZVZGDSA-N 399.466 2.886 0 1 GFAF CN(CC[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1)CC(=O)O 26153963 MQQKPCJATPTTIU-GOSISDBHSA-N 377.462 2.617 0 1 GFAF OC(Cn1cncn1)(Cn1cncn1)c1ccc(-c2ccc(Cl)cc2)cc1 26500755 CHSBYLDVZGGVQA-UHFFFAOYSA-N 380.839 2.778 0 1 GFAF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccccn1)CC2 28091465 BHVPBHGQPGCMCT-UHFFFAOYSA-N 397.519 2.591 0 1 GFAF COCC[C@@H](CC1(C(=O)NCCOc2ccc(OC)cc2)CCCC1)C(=O)O 28641492 DJSICEUCTVBCIK-INIZCTEOSA-N 393.480 2.878 0 1 GFAF Nc1nc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc2n1 28759350 NIUCAQWDGCPGLI-UHFFFAOYSA-N 376.416 2.961 0 1 GFAF COc1cc(N)c(OC)c(CCOC(=O)c2cc(Cl)c(O)cc2O)c1OC 36470929 DFYGLJKFZQGYPA-UHFFFAOYSA-N 397.811 2.759 0 1 GFAF in-vivo COc1ccc(NS(=O)(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1N 96908644 SOZXXILLNGBEMB-BQYQJAHWSA-N 394.449 2.716 0 1 GFAF O=C(O[C@@H]1C=C[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1)c1ccccc1 103300259 YTSNWZDQHQNOFZ-VQTJNVASSA-N 388.423 2.785 0 1 GFAF CN1C(=O)[C@H](C(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2S1(=O)=O 150206283 QWHBHJFXNTYZMY-AWEZNQCLSA-N 399.255 2.876 0 1 GFAF Cn1ncc(C(=O)N2CCC(Nc3cc(=O)n(C)c4ccccc34)CC2)c1Cl 169350025 OTFKACWWNOIMJP-UHFFFAOYSA-N 399.882 2.642 0 1 GFAF Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCCC3CCOCC3)c2nc1O 473096809 ZZQLXVVXFFVKKR-QZTJIDSGSA-N 386.496 2.620 0 1 GFAF CN1CCN(c2ccc3nc(CSc4nnc(S)s4)[nH]c3c2)CC1 587025002 HVHBQBPKQSLJQF-UHFFFAOYSA-N 378.552 2.747 0 1 GFAF N[C@@H](Cc1ccc(I)cc1)c1nc2cnc(Cl)[nH]c-2n1 587183714 HLPPMCWRFXLUMM-VIFPVBQESA-N 399.623 2.805 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592854 HRNZZDIPHXKEQG-USKDJOMHSA-N 395.411 2.565 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CO)c1ccccc12 587766199 FWFYTMHSDZVLBB-MGNBDDOMSA-N 391.240 2.662 0 1 GFAF COc1ccc([C@]2(CCC(=O)O)NCCc3c(C(=O)O)cccc32)c(OC)c1 963122410 MUDOYBUCQWSHFM-OAQYLSRUSA-N 385.416 2.656 0 1 GFAF Cc1cncc(-c2ccc3cnn(-c4cccc(N5CCCNCC5)n4)c3c2)n1 1772622748 VDBZBBXSPQNDOH-UHFFFAOYSA-N 385.475 2.986 0 1 GFAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 1772642640 LTXAIGGLQRPHJU-CYBMUJFWSA-N 392.198 2.831 0 1 GFAF CC(=O)Nc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)cc1 2356299892 PXKKCFDQPGUEOB-VQIMIIECSA-N 383.427 2.655 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CC=C3C[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356326324 WQTFWVCETRQASJ-SAEBETIVSA-N 378.509 2.577 0 1 GFAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1C(=O)[C@H](O)[C@H]1[C@@H](C)C(=CC(=O)O)CC[C@H]12 2356527452 AKJOHBVQTUCYSB-FVIFTUDXSA-N 378.465 2.589 0 1 GFAF CC[C@H](C)[C@@H](CO)NC(=O)c1cn(Cc2ccncc2)c(=O)c2ccccc12 2356762646 KVCQKFRMEGATEL-MGPUTAFESA-N 379.460 2.582 0 1 GFAF C[C@@]1(C(=O)NCCC(F)(F)F)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61905430 OHDNSDQVKJCJBD-SFHVURJKSA-N 393.365 2.610 0 3 GFAF CN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CO)CC(C)C 1692688 UHVSQRROPNCAHP-IRLDBZIGSA-N 384.520 2.919 0 1 GFAF CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCCC[C@@H]2CN(C)C)cc1 3181722 IOABODANLFEQFE-MJGOQNOKSA-N 396.553 2.994 0 3 GFAF COc1ccc2c(c1)[C@@]13CCN(C)C=C4[C@H](C)OC[C@@H]([C@H]4CC1=O)[C@H]3N2C(C)=O 2356431726 CGCVCRNBATWZMJ-AEEZQYSISA-N 396.487 2.511 0 1 GFAF COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NNC(=O)C2 28257235 IJUSIDCTODFHRU-UHFFFAOYSA-N 375.222 2.891 0 1 GFAF COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCO)nc12 113650604 LJCSOVSRKPFJJG-UHFFFAOYSA-N 395.444 2.905 0 1 GFAF CCOC(=O)c1c(-c2ccccc2)nc2nc(S)[nH]c(=O)c2c1C(=O)OCC 28650990 IDUNDFNRRSBTAE-UHFFFAOYSA-N 399.428 2.627 0 1 GFAF C[C@H](O)[C@@H]1C(=O)CC2=C(CC[C@@]3(C)[C@@H]2CC[C@H]3C(=O)CO)[C@@]1(C)CCC(=O)O 2356537318 NZZKRFFFUVCLAB-JFPSSYHMSA-N 392.492 2.512 0 1 GFAF COc1cc2c(cc1OC)[C@H](c1cc3c(cc1O)OCO3)[C@@H](C)[C@@](C)(O)C2=O 2356655894 OZRMWBSRSFROHU-VTDCXFJTSA-N 386.400 2.853 0 1 GFAF CC[C@@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(F)c(Cl)cc3nc2-1 26653721 AIQUPMNPTPBKBL-FQEVSTJZSA-N 384.794 2.941 0 1 GFAF COC(=O)c1cc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2cn1 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CC(=O)N1[C@@H]2CN(C(=O)NC(C)C)C[C@H]1[C@@H]2c1ccc(Br)cc1 100083281 SHKCOFMIULEMLX-MUJYYYPQSA-N 380.286 2.566 0 1 GFAF CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(Cl)c1 103227205 VZBIHFDPWCGOCN-QLPKVWCKSA-N 379.888 2.526 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccnc3)C(C)(C)C2=O)cn1 115732245 ZBEOUVYHMLQPII-UHFFFAOYSA-N 394.435 2.679 0 1 GFAF CC1(C)OC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H](O)[C@H]4C[C@@]23CC[C@]4(O)CO)O1 2356669119 NHENUBLRIYVVBQ-KFABARBUSA-N 392.536 2.775 0 1 GFAF CC(C)CCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 28129387 LYJCWIQEUXHKEU-DFQSSKMNSA-N 398.459 2.886 0 1 GFAF COc1ccc(CN2C(=O)CC[C@]2(C)c2nnnn2Cc2ccccc2)cc1 199214074 FIWMQDRTRVSQEW-OAQYLSRUSA-N 377.448 2.768 0 3 GFAF O=C(c1ccc(Cl)cc1Cl)N1CCc2c(nnn2-c2ncccn2)C1 225997200 WEQWGJXYLKRXRC-UHFFFAOYSA-N 375.219 2.563 0 1 GFAF CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12 197592565 OIWFQOYUQJELRA-UHFFFAOYSA-N 396.399 2.594 0 1 GFAF COC1CCC2(CC1)Cc1ccc(-c3cccnn3)cc1[C@@]21N=C(N)N(C)O1 141053498 NJKPIMLATGKIER-LFNLJPBCSA-N 379.464 2.620 0 1 GFAF Cc1cnc(-c2cc(N3CCC(CS(N)(=O)=O)CC3)ncc2Cl)c(C)c1 146823682 BOXLEZKOEYHBKG-UHFFFAOYSA-N 394.928 2.919 0 1 GFAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)C1 299875954 DVBWTGDJUHVJQV-ZIFCJYIRSA-N 383.473 2.577 0 1 GFAF Oc1c(I)cc(I)c2nccnc12 653878488 MNAASJBOLXPFGH-UHFFFAOYSA-N 397.941 2.545 0 1 GFAF COC(=O)C(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595741 SAJRQHSMLAOYKA-QSZISKGPSA-N 382.368 2.635 0 1 GFAF CC(=O)C[C@@]1(c2ccc3c(c2)OCCO3)NC[C@H]2CC(=O)N(C)c3cccc1c32 963031968 PCJWDXAULDICGS-CMJOXMDJSA-N 392.455 2.734 0 1 GFAF O=C(O)c1cc(Br)cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962891107 CBNBDXNQQUNLMG-GJZGRUSLSA-N 394.196 2.975 0 1 GFAF O=C(NC[C@@H]1CCCN(C(=O)CN2CCCCC2)C1)c1ccccc1Cl 11934572 NWEQBIOUQYBFPH-INIZCTEOSA-N 377.916 2.794 0 3 GFAF NS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1 13680235 YBZHDQYLQLICSJ-UHFFFAOYSA-N 398.444 2.952 0 1 GFAF O=c1cc(N2CCOCC2)[nH]c2c(-c3cn(Cc4ccccc4)nn3)cccc12 150059269 LWPBOAMTACBAGU-UHFFFAOYSA-N 387.443 2.672 0 1 GFAF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4055174 XYEVPHPIMPQCGQ-NVXWUHKLSA-N 394.880 2.618 0 1 GFAF CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCO)cc1 4152173 YJJJWZRZUODGAE-PZJWPPBQSA-N 398.459 2.684 0 1 GFAF O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc(N2C(=O)CCC2=O)c1 4313539 ZQDRJXWVBQQPHI-UHFFFAOYSA-N 380.335 2.781 0 1 GFAF CC1CCN(CCCNC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C)CC1 4930671 UKKRCBNMLXPHFP-UHFFFAOYSA-N 380.492 2.872 0 1 GFAF CCOCCn1cnc2sc(C(=O)NCc3ccc(F)cc3)c(C)c2c1=O 8662454 KKARWOYKNNLBPK-UHFFFAOYSA-N 389.452 2.872 0 1 GFAF O=C1C[S@@](=O)[C@H](c2ccc(F)c(Br)c2)N1CCc1ccccn1 28819508 DTMOOCOMIBGRNN-MWTRTKDXSA-N 397.269 2.815 0 1 GFAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cnc(SC)n1Cc1ccccc1 103170722 QAEJXOVFVCPDLB-INIZCTEOSA-N 386.477 2.844 0 1 GFAF CC(C)Cn1cc(NC(=O)NCCCN2CCOCC2)c2ccccc2c1=O 20941396 JJFAFTFYILNXAJ-UHFFFAOYSA-N 386.496 2.501 0 1 GFAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](N3CCCC3)C(=O)N21 26945334 VRMCCYJEFQGWSV-BJLQDIEVSA-N 380.492 2.560 0 1 GFAF Oc1cccc(-c2cc(N3CCOCC3)nc(NCCc3ccccn3)n2)c1 66252260 NTBYWZQSJLIBPF-UHFFFAOYSA-N 377.448 2.735 0 1 GFAF COc1cc(CNc2ncnc3c2ncn3[C@H]2CCCO2)cc(OC)c1OC 40916930 VCIHMTKKDYOONG-OAHLLOKOSA-N 385.424 2.773 0 1 GFAF CC1CCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1 139776467 NDFXMXBPYIXZAJ-UHFFFAOYSA-N 376.464 2.829 0 1 GFAF COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@H]2c1cc(OC)c2c(c1OC)OCO2 84614564 RBOAKPUWPBGXKH-MRXNPFEDSA-N 398.367 2.776 0 1 GFAF C[C@H]1CNc2c(NC(=O)C3CC3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82212329 QGPKKXDWTVVEAT-ZDUSSCGKSA-N 390.443 2.547 0 1 GFAF OCC1CCN(c2nccnc2C2CN(c3ccc4cc(F)ccc4n3)C2)CC1 143572228 NCQXGLDJFVTDRX-UHFFFAOYSA-N 393.466 2.976 0 1 GFAF CCCNC(=O)N1[C@H](CN(C)C(C)=O)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO 95895505 CXKRCVITKQIBGN-FSSWDIPSSA-N 399.535 2.981 0 1 GFAF COc1ccccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 95592342 NQNSYCGPSPLEDD-UHFFFAOYSA-N 387.417 2.573 0 1 GFAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1 95895254 NIPDWBSESJFELC-FKBYEOEOSA-N 378.472 2.555 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]1CNC(=O)C1CC1 95895076 BLSCEVGOPDFIED-VSKRKVRLSA-N 396.462 2.694 0 1 GFAF COC1CCN(c2nccc(Nc3cc4c(cn3)c(N)nn4C(C)C)n2)CC1 299828052 GRRRTSYISZLDQL-UHFFFAOYSA-N 382.472 2.743 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(N)=O)(c1c(C)nn(-c3ccccc3)c1C)O2 587389431 ICOLAZOOWNIWQK-QFIPXVFZSA-N 390.443 2.726 0 1 GFAF Cc1cc(=NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]o1 587580993 UOETYKQBRMUREV-RXVVDRJESA-N 394.383 2.860 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586944491 KIVZBKTZHPMXIW-UHFFFAOYSA-N 375.237 2.882 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nnnn3c2)N1 587792413 HOQXBTGZCJOIJC-ABKXIKBNSA-N 376.233 2.824 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@@]21c2c(N)ccc3c2CCN1C3 962950065 DNKBSLKYQCNCMA-OFWUGVANSA-N 385.508 2.786 0 1 GFAF CC(C)C(=O)N1CCC2(CC1)N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962982253 WURUHRCLCAVRKL-CYBMUJFWSA-N 386.826 2.691 0 1 GFAF CC(C)OC(=O)[C@@H](Cn1cncn1)NC(=O)c1ccc(-c2ccccc2F)cc1 1772571422 GSGZTXYCUDGRGH-LJQANCHMSA-N 396.422 2.834 0 1 GFAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3OC)ncn2)c1 1772602849 JDJLHAOOSZDXHX-UHFFFAOYSA-N 385.449 2.881 0 1 GFAF c1ccc(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)cc1 15779657 SBJKQZVNTGCFHB-UHFFFAOYSA-N 386.503 2.757 0 1 GFAF CC1(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)CC1 169704188 UEWLKIVHINNLJX-MRXNPFEDSA-N 380.427 2.887 0 1 GFAF O=C1C(=O)N(CCCCCN2C(=O)C(=O)c3cc(F)ccc32)c2ccc(F)cc21 1857648254 MATOENVJERRDKP-UHFFFAOYSA-N 398.365 2.894 0 1 GFAF O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1Nc1nccs1 1857749321 SXGZJGKIFYSZKP-UHFFFAOYSA-N 380.429 2.756 0 1 GFAF CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 3815502 FZMILJWYZFDXTP-UHFFFAOYSA-N 378.480 2.868 0 1 GFAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCN1CCOCC1 4213467 BALZSEYDMDMTEL-RBUKOAKNSA-N 377.485 2.742 0 1 GFAF CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1 4919509 ZICLQTFKNYYIQN-OAHLLOKOSA-N 389.477 2.520 0 1 GFAF CSCc1nnc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1 27411995 QBJIFJLJOMLJSN-NSHDSACASA-N 396.469 2.669 0 1 GFAF COC(=O)[C@@H]1CC(=O)N(c2cccc(COc3ccc(C(C)=O)c(O)c3)c2)C1 26394975 WYBJHNRXPYLUTQ-OAHLLOKOSA-N 383.400 2.700 0 1 GFAF CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)OCCCO[N+](=O)[O-])O2 28876926 PYFDZJNQEWPKNB-LJQANCHMSA-N 395.408 2.762 0 1 GFAF Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)cc1 20723743 NMMNIQMUPHUXEV-OAQYLSRUSA-N 397.500 2.628 0 3 GFAF CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2cccnc2F)cc1 35859215 HPWMKYFRFGYUQL-MSOLQXFVSA-N 377.485 2.613 0 1 GFAF CCOC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 71294824 MJLYWJVCOTUCNN-UHFFFAOYSA-N 380.861 2.767 0 1 GFAF Cc1ccc(CNc2nc(N3CCN(c4ncccn4)CC3)ncc2C)cc1 82213001 CYXUCXIBRBXZJV-UHFFFAOYSA-N 375.480 2.822 0 1 GFAF COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cc(OC)cc(OC)c3)n2)C1 82081555 LGJUUUDVDMGFPO-GFCCVEGCSA-N 390.461 2.853 0 1 GFAF CC(C)[C@]1(O)CC[C@]2(C)CC(=O)[C@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 95912666 SDXQLRZOKZYCOX-QXPVWKFPSA-N 390.476 2.835 0 1 GFAF biogenic,in-vitro COc1ccc(N[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-n2nccn2)nc1 473171412 VLSYNKZYEWULRI-DKSSEZFCSA-N 390.447 2.529 0 1 GFAF O=C(CCN1CCN(C(=S)NCCc2ccccc2)CC1)c1ccccc1 473135593 JTOJYBTXEOSPRB-UHFFFAOYSA-N 381.545 2.994 0 1 GFAF O=C(c1cccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)c1)N1CCCC1 653811016 XSFITPVSRSLWFX-PDGQHHTCSA-N 377.400 2.726 0 1 GFAF CC[C@]1(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC(=O)c2ccccc2C1 587958979 AXZVMVXSZJHCTQ-HXUWFJFHSA-N 383.473 2.978 0 1 GFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CN1[C@@H]3C[C@H](O)C[C@H]1C[C@@H]2C3 587591985 XPSAMUALZFJCGG-ZDRXICRTSA-N 393.439 2.710 0 1 GFAF O=C(C[C@@]1(c2ccco2)N[C@H](C(=O)O)Cc2cccc(F)c21)c1ccccn1 962903701 MSVRHZVVAJKYCF-KKSFZXQISA-N 380.375 2.929 0 1 GFAF Cn1ncc(Cl)c1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963151279 STWGZBQUKBBPCB-ZYHUDNBSSA-N 398.872 2.866 0 1 GFAF C[C@]1(n2cc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cn2)CCS(=O)(=O)C1 963097837 NRYCYMIAHBFOKC-SXLOBPIMSA-N 389.496 2.666 0 1 GFAF Cc1nn(C)cc1C(=O)C[C@]1(C(F)(F)F)NCCc2c1c(C(C)C)nn2C 962916063 ISOJCSVXFOQREV-KRWDZBQOSA-N 383.418 2.762 0 1 GFAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCCC4)nc(Cl)nc32)C[C@@H]1O 13804214 DYLVDRLBSNJJLQ-BFHYXJOUSA-N 395.891 2.645 0 1 GFAF C[C@@H]1C[C@@H](C)CN(C[C@@H](O)CNC(=O)Nc2ccc(Br)cc2)C1 169295830 PERWFFOQCNSMAR-IOASZLSFSA-N 384.318 2.909 0 1 GFAF COC(=S)NC[C@H]1CN(c2ccc3c(c2)SC[C@@H]2CCCN32)C(=O)O1 3988114 HHMBYOIJCIDDCR-STQMWFEESA-N 379.507 2.607 0 1 GFAF C[C@H]1C[C@]2(C[C@@](C)(C(=O)CSc3nc4ccccc4s3)OC2=O)C(=O)O1 4197395 UBMQUKPOVZTBAS-OXNYHJJDSA-N 391.470 2.985 0 1 GFAF COc1cc(N)c(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2C[C@H]1CCCO1 101444623 ZCAJSDJHROYKRV-RBSFLKMASA-N 393.915 2.835 0 1 GFAF COC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@H]1CN1CCN(c2ccccn2)CC1 36286677 BRQLSMYVLSQFBJ-LAUBAEHRSA-N 385.895 2.988 0 1 GFAF O=C1c2cccc3c(-n4cc(-c5ccccc5)nn4)ccc(c23)C(=O)N1CCO 71319293 YMNHPFAIYRQEJR-UHFFFAOYSA-N 384.395 2.676 0 1 GFAF CCCCOc1nc(N)c2nc(O)n(Cc3cccc([C@@H](C)C(=O)OC)c3)c2n1 49055741 QYRJPNAQYOAJPI-GFCCVEGCSA-N 399.451 2.618 0 1 GFAF C[C@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1ccc(Cl)cc1F 225994070 PBPCVOQSPYYXDI-VIFPVBQESA-N 390.781 2.576 0 1 GFAF CCc1cc(NC[C@@H](O)CO)nc(-c2cc(F)c(Br)cc2F)n1 84687217 YVMZHLJYXXSDBX-SECBINFHSA-N 388.212 2.512 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C(=O)O)[C@@H]3C(=O)O 586990535 LJZFIVCVPFACSK-BONVTDFDSA-N 375.336 2.577 0 1 GFAF O=S(=O)(c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1)N1CCOCC1 587961784 UKGLFKMAPPSQGZ-WMZOPIPTSA-N 397.500 2.930 0 1 GFAF C[C@@]1(c2cc(O)ccc2N)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962659523 FQTXWYUTBCANIA-VXKWHMMOSA-N 377.444 2.885 0 1 GFAF N[C@H](CC[P@@](=O)(Oc1ccccc1)Oc1cccc(CC(=O)O)c1)C(=O)O 1772649081 QVSLIJZSAPYYGQ-CHAGWJKLSA-N 393.332 2.767 0 1 GFAF O=C1NC(=O)/C(=C2\CN(CC3CCCCC3)S(=O)(=O)c3ccccc32)S1 18024908 JGKMXCBYOZCPMT-PEZBUJJGSA-N 392.502 2.965 0 1 GFAF COC(=O)c1[nH]n(-c2ccccc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 169694252 YWHIKTNVWAGNTG-UHFFFAOYSA-N 379.372 2.562 0 1 GFAF NC(=O)O[C@@H]1CCCN([C@H]2CC[C@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 101403023 VQWNDNUDIOMNPV-WCMCAJIFSA-N 381.467 2.953 0 1 GFAF N[C@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc12 71280566 GFPQCZLWUPCRME-JOCHJYFZSA-N 393.531 2.584 0 1 GFAF CCCc1nc2c(NCCCc3ccccc3)ncnc2n1CCNC(C)=O 82180053 CSXLPOUTZIQAQS-UHFFFAOYSA-N 380.496 2.960 0 1 GFAF FC(F)(F)c1nc(NCc2cccnc2)c2nnn(C[C@@H]3CCCCO3)c2n1 84709731 PRBLJPUUBHCXHM-LBPRGKRZSA-N 393.373 2.816 0 1 GFAF Nc1cccc(CN2C(=O)CN(NC(=O)c3ccc(-c4ccccc4)o3)C2=O)c1 95564947 FIXRLLCSODHTNH-UHFFFAOYSA-N 390.399 2.638 0 1 GFAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2ccccc2F)C1 95663651 LTQJZRUSRGGTNM-LJQANCHMSA-N 395.478 2.716 0 1 GFAF O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 95893436 WNFOQKHCSKOLHA-NJYVYQBISA-N 391.471 2.588 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NCCC)[C@@H]2CNC(=O)C2CCC2)cc1 95894923 NTXLBDSQIMZREH-IGUXMYDGSA-N 399.535 2.884 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CNC(=O)c1ccc(F)cc1 95895021 MJDWAAMJSXRTDT-AQNXPRMDSA-N 399.466 2.504 0 1 GFAF COc1ccc(NC(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)cc1OC 100984577 VIUAZJWVKDSLOX-QZTJIDSGSA-N 397.475 2.552 0 1 GFAF O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1-c1ccccn1 217119433 HIPFTGZPHHAYGJ-FQEVSTJZSA-N 387.483 2.898 0 1 GFAF CC(C)(SCc1nc2cc(I)cnc2[nH]1)C(=O)O 586958954 JEOWBFAVQYGRSQ-UHFFFAOYSA-N 377.207 2.659 0 1 GFAF NC(=O)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586970025 SIBXYTVWLMTZTA-UHFFFAOYSA-N 395.400 2.733 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@@H](CN[C@@H]1C(=O)O)C3 586989356 GEGQTJCJBVYELX-HWBVIDEXSA-N 386.407 2.539 0 1 GFAF O=C(COc1ccccc1-c1nc2cnnc(O)c2[nH]1)Nc1ccccc1F 587154154 KZVWYPZNSQJTNK-UHFFFAOYSA-N 379.351 2.882 0 1 GFAF O=C1CC=C(c2nc3cnc(C(F)(F)F)[nH]c-3n2)NN1Cc1ccc(F)cc1 587162490 CWYPNHSVWVVXTL-UHFFFAOYSA-N 392.316 2.740 0 1 GFAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)nc(=N)[nH]c1N1CCCC1)CC2=O 587476477 UOYKVHODNWKLDZ-MRXNPFEDSA-N 398.463 2.863 0 1 GFAF CC1=C(c2ccc3nc(CCOc4ccc(C=O)cc4)[nH]c3c2)NNC(=O)C1 587566519 QOKPSBZIWMMOCS-UHFFFAOYSA-N 376.416 2.752 0 1 GFAF Fc1ccc(CN2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1 653682156 PFIQVSBPLRZTGC-UHFFFAOYSA-N 397.433 2.595 0 1 GFAF O=C1CC2(CCC3(CC2)c2ccccc2C[C@@]2(C4CCC4)C(=O)NC(=O)N32)CN1 962671472 ROHCLRKAAKEFHG-XPPIMPSXSA-N 393.487 2.609 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)CC2=CC[C@H](O)[C@@H](C)[C@]21C 2356567441 UFRLMTUHNLTWIZ-FNMVTWMZSA-N 376.449 2.818 0 1 GFAF CC[C@H](O)CC[C@]1(CO)[C@H]2CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@]41CN(C)C2 2356637754 DDDLFHVAWJOBHX-PEOWNTLRSA-N 391.552 2.758 0 1 GFAF Cc1ccc(C=Cc2cc(C)c(S(=O)(=O)O)cc2N)cc1S(=O)(=O)O 2356875037 ZYOMVBUICUCBHS-UHFFFAOYSA-N 383.447 2.549 0 1 GFAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCC(C)(C)CO 4052644 SOKKEVOALUUCJV-AZUAARDMSA-N 382.460 2.922 0 1 GFAF C[C@@]12C[C@@H]3Cc4nc5cc(Cl)ccc5c(N)c4[C@@H](C1)[C@@H]3N2S(C)(=O)=O 101066747 GIBJSDQKBFLJLP-DKOWRRDRSA-N 377.897 2.923 0 1 GFAF Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(=O)on1C(=O)N1CCCCC1 26841256 PAAZPCFQODDKDI-UHFFFAOYSA-N 384.841 2.690 0 1 GFAF Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2[C@H]1CC[C@H](O)CC1 117716898 FTIGHKKHDLYCOC-GASCZTMLSA-N 390.447 2.701 0 1 GFAF COc1cc(OC)nc(Nc2nc([C@H](N)COCc3ccccc3)cs2)n1 61903547 MPCNVKXXQYJWCQ-CYBMUJFWSA-N 387.465 2.911 0 3 GFAF Cc1cccc(Nc2nc(Nc3ccc(CC(=O)O)cc3)ncc2C(N)=O)c1 39018730 PAIQRYUOBBCBSE-UHFFFAOYSA-N 377.404 2.998 0 1 GFAF in-vivo O=C(NC1CCCCCC1)c1cc2ccccc2n(CCN2CCOCC2)c1=O 84617550 UZQMKLSTQCCQDT-UHFFFAOYSA-N 397.519 2.786 0 1 GFAF CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205697 GVWOVMOFTKLXGN-IAGOWNOFSA-N 384.480 2.950 0 1 GFAF O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 95893724 MOBRGTMAJNQPCB-NJYVYQBISA-N 391.471 2.588 0 1 GFAF C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)C2)C1 248009615 XFGIONNEHGAZPS-PJVZLEMVSA-N 399.601 2.616 0 3 GFAF COc1ccc2c3c1O[C@@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CC2)CC[C@]315)OCCO4 263613540 ZKNHXBONWOGIMA-YVCBRDFCSA-N 383.488 2.888 0 1 GFAF C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC(C)(C)O2 299878537 JFZUFAXWLMYIJR-SUMDDJOVSA-N 389.540 2.737 0 1 GFAF Cc1c(C(=O)O)c2cc(OCCN3CCNCC3)ccc2n1Cc1ccccc1 653719066 HEUATSWEUKUQIK-UHFFFAOYSA-N 393.487 2.980 0 1 GFAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587113627 QPKONRLWQUMUGA-OAHLLOKOSA-N 398.776 2.789 0 1 GFAF O=C(c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1)N1CCN(CCO)CC1 587037363 UPBUXYJGDWYGAD-UHFFFAOYSA-N 396.516 2.530 0 1 GFAF COC(=O)Cc1ccccc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587783489 SRCPPFYIAVAIJT-UHFFFAOYSA-N 376.416 2.701 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2nc[nH]n2)N1 587790893 JYNCNCHCDGRSTL-DYZYQPBXSA-N 388.244 2.927 0 1 GFAF Cc1ccc([C@@]2(CN)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1 962625375 CIKQGXCZUVDGMY-RDTXWAMCSA-N 380.366 2.695 0 1 GFAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)c1ccc(O)c(C(N)=O)c1 961327720 UIECDRPXWAYTJW-JOCHJYFZSA-N 384.476 2.658 0 1 GFAF CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@H](OCCC(C)C)C1 13450283 GPPOIHPRUJCQTN-QUCCMNQESA-N 393.504 2.904 0 1 GFAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@]2(CC[C@@]3(CO[C@@H](O)C3)O2)[C@H](C)[C@H]1O 169310288 XUFKRKJXYWRSRT-ZGTRZYGWSA-N 396.524 2.788 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(C=C3OC(=O)C(CO)=C31)O2 255225340 KZMMOGWSMBTTFY-BGZYGAPTSA-N 392.448 2.546 0 1 GFAF CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)CS[C@H]1c1ccccc1 1094196 JZLZRMODUWYVSC-FQEVSTJZSA-N 399.472 2.963 0 1 GFAF CCOC(=O)CCc1c(C)nc2nc(NCc3cc(F)cc(F)c3)nn2c1O 15669035 FNNPUFSSKKXOGN-UHFFFAOYSA-N 391.378 2.524 0 1 GFAF O=c1/c(=C\c2ccccc2)sc2n1[C@H](c1ccccc1)[C@@]1(O)CCCC[C@@H]1N=2 17255566 LARPIEDAGFXNSD-FALUMRAXSA-N 390.508 2.635 0 1 GFAF CN(Cc1cccnc1)Cc1cccc(-c2nc([C@@H]3CCOC3)cc(=O)[nH]2)c1 23145955 AZDUOVFWGCOJTH-LJQANCHMSA-N 376.460 2.968 0 1 GFAF Nc1ccc(S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 40411847 VQCKKPRRCMHEMH-UHFFFAOYSA-N 378.409 2.902 0 1 GFAF CN1CCC=C([C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)C1 40429245 BWQTYVMVAMFHSY-HNNXBMFYSA-N 391.320 2.645 0 1 GFAF COc1ccc(CNc2nc(N3CCC(O)CC3)nc3c2NCN3C(C)C)cc1 70719166 NETBUEZGHUGJBA-UHFFFAOYSA-N 398.511 2.656 0 1 GFAF CC[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82207635 PKYUCHBBOCQAAP-INIZCTEOSA-N 384.411 2.607 0 1 GFAF CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 82224381 NUHIMQXNXRUQTR-SFHVURJKSA-N 392.459 2.753 0 1 GFAF CO[C@H]1CCN(Cc2nc3c(oc4ccc(Br)cc43)c(=O)[nH]2)C1 84669823 YANNSWWYRMATEM-JTQLQIEISA-N 378.226 2.653 0 1 GFAF O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95866447 CQWXPMVLFQTZCV-IMSXRSKXSA-N 390.483 2.651 0 1 GFAF COc1ccc([C@@H](C)N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 169295326 VTUBHADBCXCYLY-SUSJXKDRSA-N 385.460 2.737 0 1 GFAF OC[C@H](O)CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 253637355 GCSNYHBLOFJHDQ-UZKOGDIHSA-N 388.458 2.512 0 1 GFAF O=C(N=c1[nH][nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12)C1CC1 584904712 HJDMEPOCEJXNJU-UHFFFAOYSA-N 396.472 2.904 0 1 GFAF in-vitro Cc1cc(Br)ccc1OCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 586980830 GDGVNOKGFQIGPE-UHFFFAOYSA-N 396.266 2.860 0 1 GFAF NS(=O)(=O)c1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587018145 XHZDBVBYPNCZJG-UHFFFAOYSA-N 398.469 2.936 0 1 GFAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCNC(C)=O 587387909 UQLMLVDUZPZHCU-IBGZPJMESA-N 384.432 2.807 0 1 GFAF O=C(CC[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)NCc1nc(-c2ccccc2)cs1 618015615 OZPPKJVBZGWMDO-NUJGCVRESA-N 398.532 2.811 0 1 GFAF CC(=C[C@H](C)C[C@@H](C)c1ccc(C)cc1C=CCO)C(=O)N[C@@H](CO)C(=O)O 2356365592 OLHMPWBLHDQGDT-QINHECLXSA-N 389.492 2.638 0 1 GFAF COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@H]3N2C)cc1 254104141 YSLXFKIOMUGVIN-NDXORKPFSA-N 390.487 2.779 0 3 GFAF CN(CCCCCC(=O)Nc1cccc(-c2ccccc2)c1)S(N)(=O)=O 40403439 AAQZXVRCCVUUEJ-UHFFFAOYSA-N 375.494 2.988 0 1 GFAF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC(C)=O)c3)O2)cc1 45244943 KXDPUPNPQSLVFI-FQEVSTJZSA-N 384.388 2.868 0 1 GFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12 58582971 XMFPSQZAOMEYBN-UHFFFAOYSA-N 388.427 2.624 0 1 GFAF C[C@@H]1NC(c2ccc(F)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 71280920 DTWFNEZAGXAZAZ-YBTHPKLGSA-N 384.361 2.869 0 1 GFAF CN(CC(=O)NCC1CCCCC1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085628 GIBPVYZBEICZLJ-UHFFFAOYSA-N 399.447 2.839 0 1 GFAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2ccc(F)cc2)[nH]1 95557009 CFPRNMOXLMJNHF-INIZCTEOSA-N 383.379 2.559 0 1 GFAF O=C(C1CCOCC1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO 95878877 REIPENKEAUIUGY-JQFCIGGWSA-N 395.297 2.552 0 1 GFAF CC(=O)OC[C@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100797659 MVWNKMDSLAYMKY-MPGHIAIKSA-N 381.856 2.819 0 1 GFAF CC(C)(O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)C(=O)CN3)cc1 113195401 DHITXWXYWZPVSM-UHFFFAOYSA-N 396.491 2.946 0 1 GFAF CS(=O)(=O)Nc1cccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114332116 CPVFJCZYQSPUEE-SFHVURJKSA-N 385.493 2.621 0 1 GFAF CC1(C)CN(C(=O)CN2CCN[C@H](CF)C2)c2cc(Cc3ccccc3)ncc21 143556417 IHRHKNGNWWICAY-LJQANCHMSA-N 396.510 2.540 0 1 GFAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586922423 MONUYPJOYMTNKP-UHFFFAOYSA-N 384.505 2.775 0 1 GFAF Oc1nncc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001211 MBNAVGFVIMEQDY-OWOJBTEDSA-N 375.182 2.763 0 1 GFAF COC(=O)c1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cn1 587066502 CTJKNRBLBTUBDY-UHFFFAOYSA-N 375.768 2.798 0 1 GFAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cc2F)c1 587144136 RDKFTSCJFKGDMR-UHFFFAOYSA-N 395.350 2.651 0 1 GFAF N=c1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c[nH]1 587171273 ODTUOCQEQHSCAQ-GOSISDBHSA-N 397.435 2.577 0 1 GFAF CCOC(=O)C[C@@H](C(C)=O)[C@]1(C)c2cc(OC)ccc2CCN1CCCOC 961326920 SKIWOTHMRANYHR-SIKLNZKXSA-N 391.508 2.963 0 1 GFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2c(Cl)ncnc2N2CCCCC2)N1 962912521 PGWMZYPLWQAVHJ-GOEBONIOSA-N 390.846 2.948 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)OC[C@@H]1CCN1Cc1ccccc1)C2 1772578020 VTANVYCMTPJTLR-HKUYNNGSSA-N 395.455 2.877 0 1 GFAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 2356655219 BMPRGPGLZWJNOP-PBPUHZHHSA-N 378.465 2.897 0 1 GFAF CCCCCCN1CCN([C@@H]2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1 72136703 MDFHQJIYXTZEED-HXUWFJFHSA-N 397.560 2.538 0 3 GFAF CC(=O)OC[C@]1(C)C2=CC[C@@H]3C[C@](C)([C@H](O)CO)CC[C@]3(C)[C@@H]2CC[C@H]1O 2356391469 WTYBTRGTZZAJCG-PPQDNTJISA-N 380.525 2.823 0 1 GFAF O=C(O)c1cccc(Nc2nc3nonc3nc2Nc2cccc(C(=O)O)c2)c1 3150516 UKRPSFWOCQPRDI-UHFFFAOYSA-N 392.331 2.896 0 1 GFAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNC[C@@H](F)c2cccc(F)c2)c1 58523634 NOLWAWWUERSXHH-PWIZWCRZSA-N 390.478 2.559 0 1 GFAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)NCc2ccccc2)CC[C@@]1(C)O 2356288570 HEZAHMKVGGNLON-TUNNFDKTSA-N 381.476 2.599 0 1 GFAF COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccn2C)CC1 114465121 SLPBYWRCHKGLEO-UHFFFAOYSA-N 390.915 2.911 0 1 GFAF O=C(O)COc1cc(NC(=O)c2ccc(Br)cc2)cc(C(=O)O)c1 29328067 STQCALRTMJVUPN-UHFFFAOYSA-N 394.177 2.863 0 1 GFAF CCCNC(=O)C[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2)C[C@H]1CC 2356831104 JMCUEDCDTNWNMQ-HZPDHXFCSA-N 382.526 2.648 0 1 GFAF CO[C@@H](CN1CCN(C[C@H](O)[C@H](OC)c2ccccc2)CC1)c1ccccc1 22861991 VSTNNAYSCJQCQI-RJGXRXQPSA-N 384.520 2.740 0 1 GFAF in-man Cn1c2cc([S@@](C)=O)sc2c2cnn(Cc3ccccc3F)c(=O)c21 38141934 QWORNIYQFHGHHU-VWLOTQADSA-N 375.450 2.875 0 1 GFAF CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1sc(Cl)cc1Br 40934066 ZQXYOZCYBUFPMO-POYBYMJQSA-N 376.725 2.849 0 1 GFAF CN1CCC[C@@H]1COC(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 82084952 XARPQMHFKHONPG-CQSZACIVSA-N 393.896 2.831 0 1 GFAF COC(=O)[C@@H]1CCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144794124 JORMIHJZEPKANO-QFBILLFUSA-N 391.345 2.853 0 1 GFAF O=S(=O)(c1ccccc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 263590266 FNKBMZUNURGUOV-WFASDCNBSA-N 380.828 2.903 0 3 GFAF C[C@H](O)Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 653725336 CHNXXLJTQBFDJQ-INIZCTEOSA-N 396.487 2.547 0 1 GFAF C[C@]1(O)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C1 653679365 CJKBZXUEHCVQCB-SFHVURJKSA-N 377.395 2.561 0 1 GFAF O=C1C[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1c1ccc(F)cc1 587652112 WJLXPQPXVWADAU-GFCCVEGCSA-N 385.782 2.882 0 1 GFAF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587610516 YBNJGEJPVBXDDX-FXAWDEMLSA-N 397.408 2.894 0 1 GFAF N=c1[nH]c2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc-2c(Cl)[nH]1 587167665 PQDWMZARMAMCOJ-SNVBAGLBSA-N 375.795 2.879 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccco3)Cc3nc(=N)[nH]cc31)O2 587389413 KHEZZVQZCXKIFL-QKVFXAPYSA-N 376.416 2.963 0 1 GFAF CCC[C@@]1(CC2OCCO2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641747 YKOWCUOKCVYENF-PXAZEXFGSA-N 389.370 2.943 0 1 GFAF COc1cc(OC)c(/C=C/S(=O)(=O)Nc2cnc(Cl)cn2)c(OC)c1 1772598244 MQBFFHYJXCQUKC-SNAWJCMRSA-N 385.829 2.568 0 1 GFAF COCC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166465796 JPNVVLMSUYADAC-UHFFFAOYSA-N 392.459 2.891 0 1 GFAF CC(C)c1cn2cccc(C(=O)NCC3[C@@H]4CN(CC5CCOCC5)C[C@@H]34)c2n1 1857761961 ATJLMQWUQXSGDV-PMACEKPBSA-N 396.535 2.792 0 1 GFAF CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)N2CCOCC2)cc1 769651 IHSMNOPFDKLFIV-HKUYNNGSSA-N 385.489 2.765 0 1 GFAF O=C(O)C[C@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356347459 RKFPDYPKQWBDRM-CABCVRRESA-N 399.495 2.956 0 1 GFAF CO[C@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 100853426 DRJFACWZQYBMLO-QEVLYJLFSA-N 383.488 2.647 0 1 GFAF O=C(O)CC/C=C\C[C@H]1[C@@H](O)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 28228807 NKBIJVNJUDJWOU-GRRJJPCXSA-N 387.885 2.569 0 1 GFAF O=C1C[C@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(c2ccccc2)CC1 64417404 XFNNCQQSCAZKEO-XMMPIXPASA-N 389.499 2.700 0 1 GFAF COc1cc([C@@H]2Oc3c(OC)cc(C=C[C@@H](O)OC)cc3[C@@H]2CO)ccc1O 2356681617 ACYTYNNPYAXFFE-YSSFQJQWSA-N 388.416 2.597 0 1 GFAF COc1cc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3O)O2)cc(O)c1OC 14436426 ABIJRPKPVBZTCW-GFCCVEGCSA-N 376.361 2.839 0 1 GFAF biogenic N[C@@H](Cc1cc(Cl)c(Cl)c(-c2cccc(-c3nnn[nH]3)c2)c1)C(=O)O 45349473 LRMSVXGHFASGAY-ZDUSSCGKSA-N 378.219 2.795 0 1 GFAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 95915054 FLMSQRUGSHIKCT-XPTWSAPDSA-N 390.520 2.575 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 31357240 CDMVQQAHEQVSMF-AULARHRYSA-N 390.520 2.577 0 1 GFAF biogenic CCc1ccc(Nc2nc(N)n(C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 299829761 RXQGHSLQYBVREE-UHFFFAOYSA-N 397.435 2.881 0 1 GFAF Cc1cc(C(F)F)n2ncc(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)c2n1 653795673 SJGIFQNISKAKCL-SWKIOQSBSA-N 376.407 2.645 0 1 GFAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587226135 VTKOZCBJGHHLPH-ZDUSSCGKSA-N 379.395 2.971 0 1 GFAF COC(=O)[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804227 DBOSHWMADDOPMV-HUTHGQBESA-N 384.245 2.860 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](C)N1C(=O)CCC1=O)O2 587390353 GUKTUJSIICZZRP-PEBXRYMYSA-N 378.428 2.975 0 1 GFAF Cc1cc(Br)cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 587204756 SUEKIMJGJSVOKF-GFCCVEGCSA-N 381.274 2.713 0 1 GFAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Br)cc2[nH]1 586943923 CEYOEHPEESPCGD-UHFFFAOYSA-N 384.255 2.943 0 1 GFAF O=S(=O)(c1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 206049163 FNKBMZUNURGUOV-IUODEOHRSA-N 380.828 2.903 0 3 GFAF Cc1nc(C(C)(C)NC(=O)c2ccc(N3CCCC3)c(OCC3CC3)n2)no1 206700877 GMIAFWFGCHEJDG-UHFFFAOYSA-N 385.468 2.827 0 1 GFAF CCOC(=O)[C@@]12OC(=O)[C@@](C)(O)C(=O)[C@@]13[C@H](C=C(C)C)C[C@H](C)[C@H]3CC[C@@H]2C 166443191 QQDKJKZNUXLVDK-KPTDTMQLSA-N 392.492 2.820 0 1 GFAF O=S1(=O)[C@H](F)CCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 149599592 WSUPOQYBRDIAEB-ACJLOTCBSA-N 398.406 2.765 0 1 GFAF O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccccc2)[C@H]1C(=O)c1ccco1 100283663 ICWKKFHRJQPWDB-ROUUACIJSA-N 377.400 2.518 0 1 GFAF CCN1CCC(N[C@H]2C[C@@H](C(=O)NC)N(Cc3cccc4ccccc34)C2)CC1 20119136 GACZGBMQIOQETE-GMAHTHKFSA-N 394.563 2.603 0 1 GFAF C=CC(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1 64526855 YAFRPXJMYXBTOY-OAHLLOKOSA-N 380.473 2.908 0 1 GFAF CO[C@@H]1CC[C@]2(C)[C@H](OC(C)=O)C(C)(C)[C@@H]3[C@H](OC(C)=O)C[C@H](C)[C@@H]1[C@]32O 2356592912 PKPLUXCTSIEECK-MTDVFXQWSA-N 382.497 2.708 0 1 GFAF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 64548961 VYGJNGJRTPHPPA-SFHVURJKSA-N 392.532 2.873 0 1 GFAF COC(=O)C1=C2C=C(C(C)C)CO[C@]2(O)[C@H]2OC(=O)[C@@]13CCCC(C)(C)[C@H]23 49013684 LAPJYYDIILQSKK-LRGYGIHKSA-N 376.449 2.509 0 1 GFAF CO[C@H](C)c1cn(C2=NCC(=O)N3CCc4c(ccnc4C4CC4)C3=C2)cn1 149300228 ZQYVBUTZQVPTGZ-CYBMUJFWSA-N 377.448 2.549 0 1 GFAF CC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CNC(=O)C1CC1 95895075 BLSCEVGOPDFIED-FKBYEOEOSA-N 396.462 2.694 0 1 GFAF COc1ccccc1CNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@H]2N1C 254046532 RLLCPUKXIYNIII-BPAFIMBUSA-N 376.460 2.736 0 3 GFAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(OC)C[C@H]12 523041675 CZMOHCGAILDDJJ-RQUSXJRWSA-N 378.465 2.897 0 1 GFAF biogenic C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)[C@@H](C)C1 618020176 BEAQZTRWQHDKTA-NSHDSACASA-N 382.379 2.704 0 1 GFAF Cc1cccc(-n2c(C)nc3ccc(C(=O)c4c(C)nn(C)c4O)cc3c2=O)c1 299836275 MTTNTGWWQBGBKW-UHFFFAOYSA-N 388.427 2.981 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCNC(C)=O)c(OC)c1)[C@@H](C2)C3=O 587426986 BVNOWTAHRBYVFC-AOMKIAJQSA-N 397.427 2.707 0 1 GFAF COC(=O)[C@H]1C[C@H](C(=O)O)Nc2cc(Br)cc(Br)c21 13455184 VOCVRWBLHFNXGP-IMTBSYHQSA-N 393.031 2.737 0 1 GFAF O=C(c1ccncc1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492060 KZMPEDQLFLDSQJ-UHFFFAOYSA-N 389.390 2.835 0 1 GFAF CCCCO[P@@](=O)(O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 169344624 WGHODTZLEHKXQC-GVDBMIGSSA-N 376.434 2.682 0 1 GFAF CNCCNCc1cccc2c1[C@@]1(O)CCc3c(c4cc(OC)ccc4n3C)[C@@H]21 26575669 PVRCTIJZBSMYED-RPWUZVMVSA-N 391.515 2.775 0 1 GFAF CN1[C@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@@H]1CN(c1ccccc1)C2 53151196 PKRIIEGSDJCJPE-JLYLLQBASA-N 389.503 2.655 0 1 GFAF O=C(CCC1CCNCC1)/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1 84688703 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95894857 PEQCJJQCTRUYBM-ONTIZHBOSA-N 382.504 2.845 0 1 GFAF CCCS(=O)(=O)c1ccc2[nH]c(N3CCN[C@H](c4ccccc4)C3)nc2c1 95574975 YRUGRFUNIYAGBJ-IBGZPJMESA-N 384.505 2.898 0 1 GFAF O=c1nc(N(Cc2cccc3ccccc23)C2CC2)cc(N2CCOCC2)[nH]1 95555372 YYQZBRQEWUBPJJ-UHFFFAOYSA-N 376.460 2.929 0 1 GFAF O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1 95900804 VBPXJTQPFOPDPZ-PFSLXQJOSA-N 398.415 2.800 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@@H](C)C(=O)OCC)CC2=O 587476845 AZYMELCGKRYVTH-YUNKPMOVSA-N 378.421 2.811 0 1 GFAF N=c1cc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc2c[nH]1 586943670 DMGBOVSGVRTZDK-UHFFFAOYSA-N 399.501 2.620 0 1 GFAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3c(cc2[nH]1)OCO3 586965284 MJWNQTMTDBASDU-UHFFFAOYSA-N 397.464 2.749 0 1 GFAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)c(O)c1 587239929 CFOBFFXFPPSBGR-UHFFFAOYSA-N 391.387 2.626 0 1 GFAF CCOC(=O)C[C@H](C(C)=O)[C@]1(C)c2cc(OC)ccc2CCN1CCCOC 961326916 SKIWOTHMRANYHR-DENIHFKCSA-N 391.508 2.963 0 1 GFAF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](C)(CO)N2C(=O)OC(C)(C)C 962713488 MVSLEJDEDQGUFF-WOJBJXKFSA-N 379.428 2.684 0 1 GFAF COCc1nc([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cs1 962645195 VQEBKDGBCAEHSZ-OTYXRUKQSA-N 388.367 2.876 0 1 GFAF CCOC(=O)c1c(N(C)C(=O)N(CC)CC)sc2c1CCN(C(C)=O)C2 13443761 DFCPSLBRXYBDEV-UHFFFAOYSA-N 381.498 2.727 0 1 GFAF CC[C@](O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 13730915 WZAOXRLRCQESBE-FQEVSTJZSA-N 376.451 2.955 0 1 GFAF COc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3cc(OC)ccc32)cc1 13864751 OJPTTYMYFMZMRB-UHFFFAOYSA-N 388.489 3.000 0 1 GFAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CCN(C)CC1 169352406 KWSALEPWFXHOBE-WJDWOHSUSA-N 382.439 2.651 0 1 GFAF O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C(=O)c2ccco2)CC1 165125540 NJOCNWCGLUKBIZ-UHFFFAOYSA-N 383.433 2.788 0 1 GFAF CN1CCCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 167766475 PGNIUXGQLVHGHX-HXUWFJFHSA-N 380.471 2.587 0 1 GFAF CC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC[C@@H]1CCCO1 1381308 CCZMFGXGYJBMLG-KWQFWETISA-N 381.281 2.927 0 3 GFAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC(C)(C)O2 2487746 VOHRLHXXIJIXNU-SOLBZPMBSA-N 376.497 2.558 0 1 GFAF CN(C(=O)C12[C@@H]3C4[C@@H]1[C@@H]1C4(C(=O)C45C6C7C4C4C5C6C74C)[C@@H]3C12C)C(C)(C)C 102955863 MVEPNNJIZFXFLP-MPMWISGHSA-N 375.512 2.698 0 1 GFAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@@H]3CC4C[C@@H]2CC(CO)(C4)C3)C1 101371152 OMHBDFLGWZXMSG-ONXVTJRLSA-N 394.512 2.909 0 1 GFAF COc1ccccc1-c1ccc(OC2CN(C(=O)Nc3cccnn3)C2)nc1 114003910 AIZRKFAOIQGVHS-UHFFFAOYSA-N 377.404 2.842 0 1 GFAF Cc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)nc(N)n1 26834186 IEEGXWUHHXPQKB-UHFFFAOYSA-N 396.470 2.759 0 1 GFAF O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2 49037582 KEFIIBVZFPRZIW-UHFFFAOYSA-N 396.516 2.952 0 1 GFAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1CCCOC1 1911577287 VEIDJCZTCOMVLV-JTQLQIEISA-N 380.330 2.966 0 1 GFAF CN(c1ccc(C(=O)Nc2ccon2)cc1)c1nc2ccccc2n(C)c1=O 49654810 UKRJXMCXQMAHAI-UHFFFAOYSA-N 375.388 2.942 0 1 GFAF CN(C)c1n[nH]c2c1[C@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 49071859 QNYADJHHTWVLEV-SWLSCSKDSA-N 380.901 2.970 0 1 GFAF NC(=O)Nc1sc(-c2cccc(F)c2F)cc1C(=O)N[C@H]1CCCNC1 84671783 KGCPPJKXODNFLM-VIFPVBQESA-N 380.420 2.666 0 1 GFAF CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196170 QRKCEYWDRUQHGC-UHFFFAOYSA-N 384.505 2.989 0 1 GFAF CC[C@@]12CC(OC(C)=O)=C3Nc4cc(OC)ccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 238751365 GNGNFXDVNFGIIL-YOESJJQFSA-N 382.460 2.789 0 1 GFAF O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1CN1C(=O)c2ccccc2C1=O 95872250 LRPSJAPNXHWPGP-JLSDUUJJSA-N 398.459 2.555 0 1 GFAF O=C(c1ccncc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 95566644 ODRNCXKXNVTUTQ-XKQJLSEDSA-N 388.265 2.834 0 1 GFAF Cc1cc(C)nc(NC(=S)N2CCN(c3cccc([S@@](C)=O)c3)CC2)c1 95569011 FQLMJTCANRFNAC-SANMLTNESA-N 388.562 2.955 0 1 GFAF COc1c2c(oc(=O)c1Br)[C@](C)(Br)[C@](C)(OC)OC2 66113250 LZWCFWLSHBIOLI-NWDGAFQWSA-N 398.047 2.914 0 1 GFAF biogenic O=C(COc1ccccc1)N1CCCC[C@@H]1c1nnn(-c2ccc(F)cc2)n1 299857648 OHGFFELHMRYHAC-GOSISDBHSA-N 381.411 2.934 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 587058526 HIGWIBGSDNKIDE-AWEZNQCLSA-N 378.885 2.709 0 1 GFAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ncc[nH]c-2n1 586934934 DIPXYPNXMPKCGO-ZDUSSCGKSA-N 391.522 2.694 0 1 GFAF COc1cc2c3c(c1)O[C@](/C=C1/SCC(=O)N1C)(c1ccco1)[C@@H](C2)C3=O 587453007 OOUSWELMWPSFNH-RKXWOHISSA-N 383.425 2.978 0 1 GFAF COc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1 12405866 ISRXYCXDEAVHOY-UHFFFAOYSA-N 395.204 2.589 0 1 GFAF CC(=O)C[C@]1(O)C(=O)c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@@H](C)O4 13480633 SJTGXQPVZQYOCL-STFLBKPXSA-N 398.411 2.707 0 1 GFAF biogenic CC(=O)Nc1ccc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)nc1 13746125 ZNNNROZVKDIUCN-MHZLTWQESA-N 383.477 2.600 0 1 GFAF CN(C)CCCOc1cncc(-c2ccc3[nH]cc(-c4ccnc(N)n4)c3c2)n1 169348283 FCQWHYNQCKOSRV-UHFFFAOYSA-N 389.463 2.995 0 1 GFAF CN1CCN(C(=O)c2cccc(-c3ccc4c(C=O)c(O)ccc4c3)n2)CC1 169699714 GEAJABVEYURERR-UHFFFAOYSA-N 375.428 2.808 0 1 GFAF CNC(=O)Nc1cc(Oc2cncc(OC)c2)c([C@H]2COCC[C@@H]2F)cn1 1857557542 UEILGMSMKNVYMP-CABCVRRESA-N 376.388 2.871 0 1 GFAF N=C(N)c1cccc(Oc2cc(C(=O)O)cc(Oc3cccc(C(=N)N)c3)n2)c1 13474062 NKMYAABWJWHHLH-UHFFFAOYSA-N 391.387 2.933 0 1 GFAF CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)Cc1ccccc1OC 4546801 ANBNCHJNGDHOSC-RTBURBONSA-N 390.524 2.940 0 1 GFAF CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NC3CCCCCC3)ccc21 4971609 PCYZGGKMODYUBV-UHFFFAOYSA-N 392.521 2.598 0 1 GFAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(F)cc2)nc1 29038938 BCBFDEMHSUTHAY-UHFFFAOYSA-N 386.330 2.891 0 1 GFAF O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1c(F)cc(F)cc1F 40940025 JRPWFDYRQLNOSC-UHFFFAOYSA-N 398.362 2.946 0 1 GFAF O=C(C(=O)N1CCCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(F)c12 45254209 YOZDDZNKTOIPMI-UHFFFAOYSA-N 393.418 2.864 0 1 GFAF CNc1ncc2c(n1)C[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 45321271 QALOBVQQEGVYCI-AWEZNQCLSA-N 396.466 2.997 0 1 GFAF O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1[C@@H]1CCOc2ccccc21 49032031 IYQNSOWQLSAIBF-MRXNPFEDSA-N 384.399 2.830 0 1 GFAF CCc1nccn1-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1 73224566 KSXKHJWAISWHSH-UHFFFAOYSA-N 375.436 2.605 0 1 GFAF CC(C)NC(=O)N1[C@@H]2CN(C(=O)Nc3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO 95893561 CUGWRXNQOXUBLM-AABGKKOBSA-N 394.475 2.985 0 1 GFAF CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1cccc(F)c1 95895090 SUQATUZGUAXXSW-HBMCJLEFSA-N 384.451 2.663 0 1 GFAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C(=O)c1ccccc1)C(C)C 95895342 XRUWEPTYFYYESG-BDTNDASRSA-N 380.488 2.913 0 1 GFAF COc1ccc(NC(=O)Nc2ncnc3c2ncn3C(=O)NC(C)(C)C)cc1 169317202 JJGLYTYAXHQPLQ-UHFFFAOYSA-N 383.412 2.835 0 1 GFAF CC[C@@H]1CN2CC[C@@]3(Nc4ccccc4C3=O)[C@H]2C[C@H]1/C(=C\OC)C(=O)OC 238753639 ZGFZEUQTWZGDLW-QSICRDFISA-N 384.476 2.857 0 1 GFAF CC(C)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 473111274 AEEYORYVZURZQF-UHFFFAOYSA-N 387.505 2.654 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Cl)cc3[nH]2)[C@@H](C)O)cc1 586935262 CZPCUAFSIPRIBH-HWPZZCPQSA-N 395.868 2.625 0 1 GFAF COc1nccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587187325 DSYGYTOSXCAPRZ-UHFFFAOYSA-N 391.172 2.886 0 1 GFAF Cc1cccc(NC(=O)Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1C 587239745 WFHLICJPOMRQRP-UHFFFAOYSA-N 386.477 2.611 0 1 GFAF O=C1C[C@@]2(CNS(=O)(=O)c3ccsc32)Oc2c1ccc1c2CCCC1 587533885 YAYRIFFTWMOINB-SFHVURJKSA-N 375.471 2.780 0 1 GFAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1ccc(O)c(C(N)=O)c1 961327722 UIECDRPXWAYTJW-QFIPXVFZSA-N 384.476 2.658 0 1 GFAF CN1C(=O)C[C@H]2CN[C@]3(CCC34CN(C(=O)OC(C)(C)C)C4)c3cccc1c32 963025403 JYXDQEBNYSFTTL-RCDICMHDSA-N 383.492 2.966 0 1 GFAF Cc1nc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2C)nc(O)c1Cl 1857581416 OVPHUWVYMICJGF-UHFFFAOYSA-N 383.839 2.837 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CCC3=C[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356366960 TUTOSPSPBZUUEE-SAEBETIVSA-N 378.509 2.577 0 1 GFAF CS(=O)(=O)c1ccc(O[C@@H]2COCCN(c3nc4ccccc4o3)C2)cc1 2356420351 WZNPZOQOAOQFMR-HNNXBMFYSA-N 388.445 2.516 0 1 GFAF CC=C1CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 2356778976 ILXSNNTYRNLDCX-MJNUIWOHSA-N 384.476 2.526 0 1 GFAF Cc1ccccc1C[C@]1(CO)CCCN(C(=O)CCCN2CCCCC2=O)C1 12477877 GRBZNUCYOHVEHX-HSZRJFAPSA-N 386.536 2.931 0 3 GFAF CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccn(C)n1 6716092 AGOKKKZYRGJHBT-AWEZNQCLSA-N 378.473 2.793 0 1 GFAF COc1ccc(C[C@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(F)cc1 27564159 OOWCDEJRFACQDR-MRXNPFEDSA-N 388.420 2.658 0 1 GFAF CCOC(=O)Nc1cc2c(nc(SCc3ccc(OC)cc3)n2N)c(N)n1 27727498 QVCVMRPJHDEDHV-UHFFFAOYSA-N 388.453 2.597 0 1 GFAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(CN3CCN(C)CC3)cc1)C2 28334638 OBFMYCZUKGNJGW-QFIPXVFZSA-N 396.487 2.638 0 1 GFAF C=CC(=O)NC1=NC=C2N=CN=C(Nc3ccc(F)c(Br)c3)[C@@H]21 40915136 QZBWWWPFBHEIES-ZDUSSCGKSA-N 376.189 2.612 0 1 GFAF C[C@@H](CNC(=O)[C@H]1CNCCN1C(=O)CCCc1ccccc1)c1ccccc1 45322666 KASNWXNSVQPZCN-SIKLNZKXSA-N 393.531 2.730 0 1 GFAF COCCOc1ccc2c(N[C@H]3CCNC3)nc(-c3ccccc3O)nc2c1 59284486 VWQYQZLDUAJDCI-AWEZNQCLSA-N 380.448 2.801 0 1 GFAF COc1ccc(-[n+]2noc(O)c2CNc2nc3ccc(OC)cc3s2)cc1 98085413 KVRONEPVSUHITA-UHFFFAOYSA-O 385.425 2.896 0 1 GFAF O=S(=O)(Nc1ccc(-c2cccc([C@H](O)CO)n2)cc1)c1ccc(F)cc1 114593016 BKGVFLFIJZAJIJ-LJQANCHMSA-N 388.420 2.714 0 1 GFAF CN(C)CCCCNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166954339 RJBPGDOJZRQTFL-UHFFFAOYSA-N 381.480 2.701 0 1 GFAF O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O 169304981 LRPSJAPNXHWPGP-JCGIZDLHSA-N 398.459 2.555 0 1 GFAF O=C(O)CCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1/C=C/c1ccccc1 169687641 ZLEIAKOIGUCLNH-JQBOOCOKSA-N 391.423 2.844 0 1 GFAF NCC[C@@H]1CNC(=O)c2cc(-c3ccnc(Cl)c3)c(-c3ccc(CO)cc3)n21 207260187 HPXHJTNCJPAWOK-MRXNPFEDSA-N 396.878 2.996 0 1 GFAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nn(C)c(=O)cc2C)nc1 222633302 MKQLWQRZNTXJFZ-CVEARBPZSA-N 377.448 2.740 0 1 GFAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c(F)c2)c1 587147622 WBUWYFATBXBVTB-UHFFFAOYSA-N 395.350 2.651 0 1 GFAF CN(Cc1nc2cc3c(cc2[nH]1)OCCCO3)S(=O)(=O)c1ccc(F)cc1 587169703 IAKXBANONVKIMR-UHFFFAOYSA-N 391.424 2.684 0 1 GFAF CCN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C(=O)OC)C1 587581116 GEKRMEWKWCZWNZ-VPKVUBIPSA-N 397.427 2.607 0 1 GFAF C=C1C=C(C)N2NC([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)=NC2=N1 587585708 HAVZYGJMSBELFE-LPHOPBHVSA-N 388.383 2.728 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CN(C(=O)C(F)(F)F)C2)N1 587708540 BJWRGBJAMIGBCW-SSDOTTSWSA-N 381.167 2.722 0 1 GFAF CCn1cc([C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587762205 DQNCKYHWKXQTBK-JDNHERCYSA-N 382.233 2.667 0 1 GFAF COC(=O)[C@]1(C)COCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587836367 TUUGUDMWNWRYPU-PZDALLCQSA-N 386.261 2.917 0 1 GFAF CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)[C@H]21 962960446 GICIWAFHAWZTBJ-ISNVGHARSA-N 385.794 2.632 0 1 GFAF COC(=O)c1cn2c(C)c([C@@]3(C)NCCc4nc5ccccn5c43)sc2n1 962979747 AHQLFFQCBQOREV-IBGZPJMESA-N 381.461 2.548 0 1 GFAF COC(=O)c1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356336244 IZKLETPXYKZIMI-BLVKFPJESA-N 376.405 3.000 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]([C@H](O)C(=O)[C@@H](C)[C@@]2(O)CCc2ccoc2)C1(C)C 2356634998 RWOAGXCXGZWXLF-LPLXKKELSA-N 392.492 2.897 0 1 GFAF CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4045589 HDOZSERUZGQMQB-FPOVZHCZSA-N 395.503 2.979 0 1 GFAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCO 4310676 KJBZPCCWWUNKBW-RBUKOAKNSA-N 378.469 2.826 0 1 GFAF COCCCNC(=O)C[S@](=O)Cc1nc(-c2cccc(Cl)c2)oc1C 5057867 MDCUNCVUWAGMJT-VWLOTQADSA-N 384.885 2.705 0 1 GFAF CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)[C@H]2CCOC2)CC1 11701588 NKBRNGGOYKCSLI-KRWDZBQOSA-N 375.465 2.664 0 1 GFAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(F)(F)F 13760134 ZGRQGEXXUUJWQS-OAHLLOKOSA-N 391.342 2.910 0 1 GFAF CC[C@@H]1CN(CC(=O)N2CC[C@@H](N(CC)CC)C2)Cc2cc(OC)ccc2O1 14989706 UGQKIVACQMVZID-RTBURBONSA-N 389.540 2.611 0 1 GFAF C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 26376638 NMTNMGBESHYBOM-CVEARBPZSA-N 392.521 2.901 0 1 GFAF COc1cccc2oc(=O)c(Cc3c(O)c4c(OC)cccc4oc3=O)c(O)c12 45285367 QPGNBIKZCZLZOF-UHFFFAOYSA-N 396.351 2.919 0 1 GFAF CSc1nnc(Cc2nc(-c3ccccc3)no2)n1CCCn1ccnc1 64526774 NVCFTSHIXHWQOH-UHFFFAOYSA-N 381.465 2.928 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCc2ccccn2)co1 82076930 JNULLCKOSHYXKB-UHFFFAOYSA-N 379.416 2.903 0 1 GFAF CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN 82082423 FGHKEJQAYJONIM-GOSISDBHSA-N 381.432 2.751 0 1 GFAF CCCCNC(=O)OC[C@@H](O)Cn1cc(CN(CCCC)CCCC)nn1 82155412 RUPNVROMYBWIAA-SFHVURJKSA-N 383.537 2.568 0 1 GFAF CNC(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1 84728717 SQICBTMJLWNRFZ-UHFFFAOYSA-N 381.457 2.761 0 1 GFAF Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C2CCC2)n1 96272376 LZHWZDRNJFDAFI-ZDUSSCGKSA-N 386.481 2.658 0 1 GFAF O=C(Nc1cnn(S(=O)(=O)c2ccc(F)c(Cl)c2)c1)c1ccccn1 116780957 JBZHLHMYKHJXLT-UHFFFAOYSA-N 380.788 2.560 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC[C@@]23CCCNC3)cc1)N1Cc2ccncc2C1 165848924 SPONHPDHHBKHKE-JOCHJYFZSA-N 391.475 2.597 0 1 GFAF O=C(NCCn1cccn1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 167861016 OKNBOVKDZOQMPX-UHFFFAOYSA-N 393.422 3.000 0 1 GFAF COC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169309874 WMTBKKBQNKWDRP-QSNWEANLSA-N 396.418 2.516 0 1 GFAF CC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1OC[C@@H](O)CNC(C)C 169334081 OVGMVSSQEGZDKY-IBGZPJMESA-N 384.476 2.808 0 1 GFAF CCO[P@](=O)(Cc1ccc(=N)[nH]c1)Oc1ccc2c(c1)C(=O)N(C)C2=O 473108491 MDDYOPOGRKDHII-AREMUKBSSA-N 375.321 2.529 0 1 GFAF O=C1CCc2cc3nc(CCS(=O)(=O)c4ccc5c(c4)CCC5)[nH]c3cc2N1 586922821 STMICSFBYSWSNI-UHFFFAOYSA-N 395.484 2.953 0 1 GFAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H](C)N(C)C)[nH]c2c1 587192493 USXSUQRDYYIEHR-CYBMUJFWSA-N 388.493 2.865 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(CC(=O)OC(C)C)c1C)[C@@H](C2)C3=O 587429915 BYTQFYGNHAUZGY-BTYIYWSLSA-N 384.432 2.949 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H](C(=O)O)[C@@H](C(=O)O)C2)N1 587828397 SJQQMVBGMHRLLX-JEZHCXPESA-N 386.217 2.513 0 1 GFAF O=C1N[C@@H](CSC23CC4CC(CC(C4)C2)C3)N[C@H]2C[C@H](C(=O)O)CC[C@H]12 618014390 NIWGRKFNYIWXJH-FNLLVIRQSA-N 378.538 2.603 0 1 GFAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cncc(Cl)n2)N1 962720417 TYVJHJNTTMIAMO-MFKMUULPSA-N 375.709 2.976 0 1 GFAF NCc1cc(Oc2cccc(C(=O)N[C@@H]3CCC[C@@H]3O)c2)nc(C(F)(F)F)c1 1857560713 PJNDLVDONAGUTF-CABCVRRESA-N 395.381 2.995 0 1 GFAF Cc1cc(-c2nc(S(C)(=O)=O)n[nH]2)cc2c(CCc3ccccc3)[nH]nc12 1857636992 CPMCLCDUNBHMOI-UHFFFAOYSA-N 381.461 2.845 0 1 GFAF CC=C1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1C(=COC)C(=O)OC 2356500203 RFHZMDBYJUMARX-WQFQCULDSA-N 382.460 2.620 0 1 GFAF CC(=O)O[C@H]1[C@@H]2[C@H]3C[C@@](C)(O)CCC(=O)[C@@]4(C)OC[C@@H](C)[C@@H](C[C@H]1C)[C@H]2[C@@H]4O3 2356794503 HYSZLZFAPSHDAS-UCUKAZIBSA-N 394.508 2.503 0 1 GFAF O=C(NC1CCOCC1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12429316 CPRSQGSBHRBPQW-CQSZACIVSA-N 384.398 2.739 0 3 GFAF C[C@H](NS(C)(=O)=O)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 23181970 HDBYKRUMBPFPJH-KBXCAEBGSA-N 397.541 2.688 0 3 GFAF CCOC(=O)Cc1cc(=O)n2[nH]cc(-c3cccc(Br)c3)c2n1 100492143 VVFGAKOXMZHFFG-UHFFFAOYSA-N 376.210 2.558 0 3 GFAF COC(=O)[C@H]1CCC(=O)N1[C@H](c1ccccc1)c1cc(OC)c(OC)c(OC)c1 1645066 UWZLSLHQRNSPOI-OXQOHEQNSA-N 399.443 2.966 0 1 GFAF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 58608501 MRWUPNAGJCBQQD-DBRSQGCESA-N 395.411 2.591 0 1 GFAF COCCOc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103246892 ACMDXKZEHRFMAQ-VGIQYWGPSA-N 392.521 2.715 0 1 GFAF CCOC(=O)C1=C2c3ccccc3[C@@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@@H]23 29334886 RFOSKYASXJOWGG-LPHOPBHVSA-N 375.472 2.830 0 1 GFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 2356694778 HMFMZNOIEXKYSR-NCYKPQTJSA-N 399.535 2.592 0 1 GFAF CC(=O)c1ccc(NC(=O)N2CCN3C(=O)N(C4CCCCC4)C(=O)[C@@H]3C2)cc1 2356815065 COJBEFKAIJIHED-SFHVURJKSA-N 398.463 2.702 0 1 GFAF CNC[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C 61922864 VMUIUYUBOUUZSN-HYFFOGBASA-N 382.504 2.931 0 3 GFAF O=C(O)CCCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 36330643 LQEIDTKXJQSMDP-UHFFFAOYSA-N 391.512 2.500 0 1 GFAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1cnc2[nH]ncc2c1 223390814 MQIGINOTGYCQHA-HNNXBMFYSA-N 385.468 2.725 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(C)C(=O)c2ccccn2)cc1 95566837 WPXBDGFNEBLHLG-HPFFNQRGSA-N 393.487 2.562 0 1 GFAF COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)C2CCC2)cc1 95663235 PSCGXBDTJBBWRQ-KCZVDYSFSA-N 380.488 2.695 0 1 GFAF O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O 95872249 LRPSJAPNXHWPGP-WBAXXEDZSA-N 398.459 2.555 0 1 GFAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NCCO)CC[C@H]4[C@@H]3CC[C@H]12 299821040 RYYSYRHPOPBMEU-DCIWYKSFSA-N 376.541 2.575 0 1 GFAF CCOC(=O)CCCC(=O)NCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587388087 VWOCUAOPWVHBFU-AWEZNQCLSA-N 376.453 2.541 0 1 GFAF COc1cncc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 587182707 QWJQFYSJHMZKPI-QMMMGPOBSA-N 383.193 2.685 0 1 GFAF Cc1ccc2c(ccc3nc(COc4ccc(S(N)(=O)=O)cc4C)[nH]c32)n1 586929969 KUAMRHFGOWXTEV-UHFFFAOYSA-N 382.445 2.954 0 1 GFAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3[C@H](CN[C@H]3C(=O)O)C2)[C@@H]1c1ccc(F)cc1 587346764 NCMZUMXGPUMOQW-NEGHLBHCSA-N 397.402 2.712 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(N)(=O)=O)cc1 587869360 HEXPPXYNDVMYAA-UHFFFAOYSA-N 398.366 2.609 0 1 GFAF CCOC(=O)CC[C@@]1(c2ccc(OC)cc2OC)c2c(cnn2C)CCN1C 963956055 UMZRAFVFBOSCIF-OAQYLSRUSA-N 387.480 2.512 0 1 GFAF Cc1cc2c(cc1O)[C@@H](c1c(C)n(CC(=O)O)c3ccccc13)N[C@H](C(=O)O)C2 963548099 DXTYBUBTWCCDKF-KKSFZXQISA-N 394.427 2.737 0 1 GFAF CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)NCCc1c(C)ccnc12 963075203 RKSLIQMXMAUWNL-IIBYNOLFSA-N 389.496 2.694 0 1 GFAF CC[C@@H]1CN(CCNC(=O)c2cc(C)nn2CC)Cc2cc(OC)ccc2O1 11976859 WSCOYEHQNNBVJX-QGZVFWFLSA-N 386.496 2.623 0 1 GFAF COC(=O)[C@@H]1CN(C(=O)OC)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1 13744995 CKHXIYDCQPVVOE-JKSUJKDBSA-N 377.437 2.971 0 1 GFAF Cn1cc(C2=C(c3c4n(c5ccccc35)CCNC4)C(=O)NC2=O)c2ccccc21 13861123 WGLDKILPHLGLGQ-UHFFFAOYSA-N 396.450 2.803 0 1 GFAF Cn1cc(C2=NC(=O)N[C@@H](c3ccc(C(=O)O)c(O)c3)[C@H]2c2ccsc2)cn1 169702753 DYZHMEZHAFZSRU-CVEARBPZSA-N 396.428 2.923 0 1 GFAF O=C1CC[C@H](N2Cc3c(SCc4ccccc4F)cccc3C2=O)C(=O)N1 1857604186 QCORSKOYGDWRBU-INIZCTEOSA-N 384.432 2.879 0 1 GFAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 4038958 SSFJQRCRWPWGQK-ZVDOUQERSA-N 381.476 2.732 0 1 GFAF NC(=O)c1cn(-c2ccc(F)cc2)c2cc(-c3cc[n+]([O-])cc3)ccc2c1=O 6536440 GESJKXKEFUEEGW-UHFFFAOYSA-N 375.359 2.529 0 1 GFAF NS(=O)(=O)Oc1ccc2oc(C3C4CC5CC(C4)CC3C5)cc(=O)c2c1 27433452 IGDMTJIKWJHZGH-UHFFFAOYSA-N 375.446 2.915 0 1 GFAF NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC1 27524813 RSDGAJNKFJZCDF-UHFFFAOYSA-N 379.819 2.755 0 1 GFAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(Cl)nc2scc(C)n12 29131925 UMIUKNLNQAECPS-UHFFFAOYSA-N 395.868 2.938 0 1 GFAF C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cccc2cc[nH]c12 34083245 KMAONNMKJNVIOD-HNNXBMFYSA-N 375.428 2.724 0 1 GFAF COc1ccc(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3ccccc32)cc1 34167348 XKGGZLWYPXYHEE-UHFFFAOYSA-N 399.516 2.634 0 1 GFAF Cc1cc(C)c(S(=O)(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C(N)=O)c(C)c1 35794459 QYMOVOFGRNIHMQ-LJQANCHMSA-N 397.500 2.694 0 1 GFAF C[C@H]1CCCN(Cc2cccc(OCCCNC(=O)c3ccc[n+]([O-])c3)c2)C1 38192500 HJZUEASXFDHGDQ-SFHVURJKSA-N 383.492 2.751 0 1 GFAF Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)co2)c1 82158367 KZBOXVCPDPJOSD-XJMNNFRSSA-N 398.459 2.765 0 1 GFAF COc1ccc(OC)c(-c2csc(NCC(=O)NC[C@H]3CCCO3)n2)c1 82193662 FGYYBKLPYAILCQ-CYBMUJFWSA-N 377.466 2.534 0 1 GFAF COc1cc2c(c(OC)c1OC)C[C@@H]1NCCc3c(OC)c4c(c-2c31)OCO4 85996675 CBDDDWACOGBURC-ZDUSSCGKSA-N 385.416 2.860 0 1 GFAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c[nH]c(=N)[nH]c-3n1)N2 587030444 FHGLPEKJNAAQFK-AMAGOZFHSA-N 387.494 2.844 0 1 GFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(I)cnc2[nH]1 587093831 HGRPRBLYUJNGEJ-RXMQYKEDSA-N 398.126 2.692 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587124592 BRXXNNOHAZNGPA-UHFFFAOYSA-N 391.415 2.753 0 1 GFAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)[C@@H](C)F)[nH]c2c1 587126067 VKTFOYCJJYPTHW-QLJPJBMISA-N 378.429 2.730 0 1 GFAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(C)(C)C 587204847 MNAZJYYHOXJZCW-AWEZNQCLSA-N 396.513 2.692 0 1 GFAF N=c1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)c[nH]1 587254843 QVVZWHQHKJVJAI-UHFFFAOYSA-N 385.596 2.614 0 1 GFAF COc1cccc2c1S(=O)(=O)CC[C@@H]2NCCOc1cc(F)ccc1F 1857538735 UPXFZUFQLHYOEM-HNNXBMFYSA-N 383.416 2.861 0 1 GFAF O=C1NC(=O)[C@H](Cc2ccc(OCCn3c(CO)nc4ccccc43)cc2)S1 1857638389 IGUTWXTYTPRLDV-KRWDZBQOSA-N 397.456 2.502 0 1 GFAF Cc1ccnn1CCCCNC(=O)[C@@]1(C)CC1(Br)Br 1857756292 OJCRHIAVGZRPPR-GFCCVEGCSA-N 393.123 2.984 0 1 GFAF OC[C@@H]1[C@H](O)C[C@@H](NC2CCCCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356288911 MSLIBGXSMBCYQH-CIAFKFPVSA-N 381.520 2.966 0 1 GFAF O=C(C=Cc1ccc(O)cc1)NCCCCNC(=O)C=Cc1ccc(O)cc1 2356498297 PYVBFDCHJDMSMM-UHFFFAOYSA-N 380.444 2.837 0 1 GFAF CCC(C)=CC(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356682175 GOYCTRMVTOTXSN-XQFUEAJGSA-N 376.449 2.554 0 1 GFAF COC(=O)[C@H]1CCC(=O)N1[C@H](c1ccc(OC)cc1)c1ccc2c(c1)OCO2 1645076 NIUHAHUFZKQQOF-OXQOHEQNSA-N 383.400 2.677 0 1 GFAF O=C(CSc1nnc(CNC(=O)c2cccs2)o1)Nc1ccc(F)cc1 4969463 QGVNVJPKOCUHTF-UHFFFAOYSA-N 392.437 2.931 0 1 GFAF COC(=O)c1ccccc1OCC(=O)N(C)CC(=O)Nc1c(C)cccc1C 7096687 JYJACFXSYQCSGD-UHFFFAOYSA-N 384.432 2.566 0 1 GFAF biogenic COc1cccc2c1[C@H](Oc1cc(C(=O)N(C)C)cn3c(C)c(C)nc13)[C@@H](O)C2 28826121 BANGIAGKGKLDRC-OXJNMPFZSA-N 395.459 2.699 0 1 GFAF CS(=O)(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 38239091 PHMPGOJWLISPFK-HNNXBMFYSA-N 399.515 2.740 0 1 GFAF CN(C)c1ncc(CN2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)s1 39412601 WAKFQWHPDGLXRT-SFHVURJKSA-N 386.521 2.885 0 1 GFAF O=C(c1ccc2c(c1)CCO2)N(CC1CCNCC1)c1ccnc(NC2CC2)n1 49072349 KBIJPXHSPUYSMW-UHFFFAOYSA-N 393.491 2.632 0 1 GFAF Cc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)nn1C(C)(C)C 58568638 JYUUSZZMODAODC-UHFFFAOYSA-N 386.471 2.726 0 1 GFAF COc1ccc(/C=C/C(=O)O[C@H](Cc2ccc(OC)c(OC)c2)C(=O)O)cc1 95586144 CUXQJUQFCJMQDV-BQHJZSHBSA-N 386.400 2.965 0 1 GFAF COc1cc([C@H]2C[C@@]2(CO)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC 95594249 ZRQIJJNHVZOBLL-VGSWGCGISA-N 385.460 2.803 0 1 GFAF COc1cccc(CN2[C@H](CO)[C@H](c3ccccc3)C23CN(C(=O)C2CC2)C3)c1 95668376 ACLBXTRLCZDZIR-YADHBBJMSA-N 392.499 2.647 0 1 GFAF Cn1c(OC[C@H]2CCN(c3ccsc3)C2)nc(-c2ccncc2F)cc1=O 146505021 MXYNEGBCQKVKQT-ZDUSSCGKSA-N 386.452 2.948 0 1 GFAF CN1C=CN(CCN(Cc2ccccc2)S(=O)(=O)C(F)(F)F)/C1=C\N=O 148109871 XDYQQFUMPVMUSL-KAMYIIQDSA-N 390.387 2.622 0 1 GFAF O=C(O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnc(O)nc1 166170314 FJIAAQPEDMXBNE-GOSISDBHSA-N 377.400 2.665 0 1 GFAF COc1ccccc1N1CCN(c2nnnc3c2cnn3-c2ccccc2)CC1 653739770 OJCXWBUBYLQYNY-UHFFFAOYSA-N 387.447 2.546 0 1 GFAF CSc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963226354 LPVTYDBXXCIGKX-WIYYLYMNSA-N 391.452 2.751 0 1 GFAF Cc1cccc2sc(C(=O)N[C@@H](Cn3ccnc3)C(=O)OCC(C)C)nc12 1772628704 OUSIYZWVWGRWEZ-AWEZNQCLSA-N 386.477 2.799 0 1 GFAF CC(C)(O)[C@@H](O)CCC(=CCCC(=CCCc1ccoc1)C(=O)O)C(=O)O 2356540108 MLYVKQKXGXBDRS-KRWDZBQOSA-N 380.437 2.926 0 1 GFAF COc1ccccc1CNc1nc(NCCN2CCNC2=O)c2sccc2n1 61930315 QABNXKWZMAVEQQ-UHFFFAOYSA-N 398.492 2.749 0 3 GFAF O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1Cc1cccnc1 199224479 WRDPFWBECXCIHF-HXUWFJFHSA-N 382.427 2.862 0 3 GFAF CC(C)OC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@@]1(C)O 971074 FMJOKPRBXJEFND-BMQTXXJKSA-N 376.449 2.630 0 1 GFAF Nc1cc(C(=O)N2CCCC2)cc2nc(-c3ccc(Br)o3)nn12 26977011 VVRYFSHYYXQKHO-UHFFFAOYSA-N 376.214 2.570 0 1 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@H]1COC(C)(C)O1 29338437 WGRGESBZCGZKAN-ZDUSSCGKSA-N 399.919 2.524 0 1 GFAF O=C(O)c1cc(CN2CCC(c3cccnc3F)CC2)c2ccccn2c1=O 66157193 DOSCYSXWRXGGNY-UHFFFAOYSA-N 381.407 2.911 0 1 GFAF COC(=O)c1ccc2nc(CO[C@@H]3CN(Cc4nccs4)C[C@@H]3F)[nH]c2c1 2356666573 CKLKXKTYKYWDFQ-SWLSCSKDSA-N 390.440 2.545 0 1 GFAF COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)CCC3)cc1 39981548 HMDJKMQFRTZVGJ-HHHXNRCGSA-N 386.473 2.510 0 1 GFAF C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1ccc2c(c1)NC(=O)CO2 41920246 NCFPUUVKYXSVSV-SECBINFHSA-N 391.786 2.626 0 1 GFAF COC(=O)Nc1nc2ccc([C@@]3(O)c4ccccc4C(=O)N3CC3CC3)cc2[nH]1 225077904 YMQPILNOMZNRKU-OAQYLSRUSA-N 392.415 2.800 0 1 GFAF Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 40900134 NZIJRFICRMNCGN-YOEHRIQHSA-N 380.510 2.781 0 1 GFAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCOC[C@@H]4C)ncn3)c2c1 225560611 BAVGNJJJQKUERA-KBPBESRZSA-N 383.452 2.659 0 1 GFAF O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cocn1 95893908 KDUASBSMIGCHJJ-PWRODBHTSA-N 375.428 2.664 0 1 GFAF CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCCC1 95869237 ZSECDKJMHWJAGK-VQTJNVASSA-N 399.535 2.726 0 1 GFAF CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@H]3C)C2)cc1 96286313 DHUOTSJELWOUBC-HBGVWJBISA-N 384.524 2.699 0 1 GFAF C[C@@H]1CC[C@@H](Oc2cc(F)ccn2)CN1C(=O)c1ccccc1-n1nccn1 299852717 WRDCSAACCFMQJN-GDBMZVCRSA-N 381.411 2.874 0 1 GFAF NS(=O)(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029178 JTDBQMGYTDEHBM-UHFFFAOYSA-N 386.458 2.913 0 1 GFAF CC1CCC(NS(=O)(=O)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 586952925 NWVFSCVEQPXOKG-UHFFFAOYSA-N 376.404 2.975 0 1 GFAF O=C(N[C@@H](CO)C(=O)n1nc2cc1Oc1ccc(F)cc1-2)OCc1ccccc1 587875002 LIXFYKGKLOOTEX-INIZCTEOSA-N 397.362 2.722 0 1 GFAF Cc1cc(NC(=O)N2CCC[C@H](c3nnn4cnc5[nH]ccc5c34)C2)sn1 1772609167 QGLOJQGSJPZTLN-NSHDSACASA-N 382.453 2.782 0 1 GFAF CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3ccccn3)c3ccccc13)C2 1772654475 KEAURBZOGYJBAB-OSYLJGHBSA-N 376.460 2.617 0 1 GFAF COc1ccc(C2=NO[C@@H](C3(S(=O)(=O)c4ccccc4)CC(O)C3)C2)cc1 15973916 NGXZPAGBEGNKCJ-KHPNHKCMSA-N 387.457 2.556 0 3 GFAF COC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169293773 HPUXACWYEUDBLN-QSNWEANLSA-N 396.418 2.516 0 1 GFAF COc1cc2nc(N3CCN(C)CC3)cc(NC3CCN(C)CC3)c2cc1OC 1857656375 IJYJCNYZUXCMQM-UHFFFAOYSA-N 399.539 2.510 0 1 GFAF CCN1CCN(CCCNC(=O)COc2ccc(-c3ccccc3)cc2)CC1 1857656857 ROYSJTCXIAEDDB-UHFFFAOYSA-N 381.520 2.876 0 1 GFAF c1cnc2c(c1)CCC[C@@H]2N(Cc1ccncn1)N1CCN(CC2CC2)CC1 1857760506 IQOSLDBZNGOXDQ-NRFANRHFSA-N 378.524 2.694 0 1 GFAF CN1[C@H]2CCC[C@@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2 13650329 CEVHGYCKPFJVGI-OKILXGFUSA-N 385.439 2.847 0 1 GFAF COc1ccc(-c2n[nH]c3c2CN(S(=O)(=O)c2ccsc2)CC3)cc1 23478662 KGBDOOAYFAZANJ-UHFFFAOYSA-N 375.475 2.894 0 1 GFAF COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(O)c1OC 40900264 HIHOSHVAVAUYLA-KRWDZBQOSA-N 383.356 2.506 0 1 GFAF Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCc2ccccn2)co1 82070848 CLNWNMRYXLPVGD-OAHLLOKOSA-N 379.416 2.949 0 1 GFAF CCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 82210135 MIXAKQOEGLLSGM-IEBWSBKVSA-N 388.512 2.573 0 1 GFAF COc1cccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](C)CN3)c1 82211024 IDVXEGCETNVNNN-CYBMUJFWSA-N 398.488 2.727 0 1 GFAF Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(F)cc3Cl)N(C)C2=O)n1 95565854 AIKVXPCPWANTNG-HNNXBMFYSA-N 376.819 2.739 0 1 GFAF CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(C)=O 95666794 NDGIBXUBSDKIPM-IRLDBZIGSA-N 396.462 2.790 0 1 GFAF O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95866448 CQWXPMVLFQTZCV-DPLHUUCSSA-N 390.483 2.651 0 1 GFAF CCOC(=O)[C@H](C)NC(=O)c1cn(CC)c2cc(C(F)(F)F)ccc2c1=O 103185713 FPLHQHBLRFDGIL-JTQLQIEISA-N 384.354 2.722 0 1 GFAF COC(=O)c1ccnc(-c2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)ccn2)c1 103252455 ZITCWQYXADVWFX-ZWKOTPCHSA-N 388.427 2.997 0 1 GFAF O=C(Nc1cnn(S(=O)(=O)c2cc(F)c(F)cc2Cl)c1)c1ccccn1 116776441 MIGAQFMVKWULPG-UHFFFAOYSA-N 398.778 2.699 0 1 GFAF COc1ccc2c(c1)[C@@]13CCN(C)/C=C4/[C@@H](C)OC[C@@H]([C@@H]1N2C(C)=O)[C@H]4CC3=O 238771864 CGCVCRNBATWZMJ-RDWWLHIDSA-N 396.487 2.511 0 1 GFAF COC(=O)c1cc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2cn1 586971067 SJBQRKRPWPGCIJ-UHFFFAOYSA-N 384.461 2.967 0 1 GFAF COc1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2n1 587182406 NVTBEQYRLBOBLY-QMMMGPOBSA-N 383.193 2.685 0 1 GFAF COc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(OC)c1C 587788179 QPEPDCWQWWAXSV-UHFFFAOYSA-N 375.450 2.806 0 1 GFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CN[C@@H](C(=O)O)[C@H]32)N1 587797383 SHGBAPUXOWTSAG-LUZCOFQESA-N 397.288 2.790 0 1 GFAF COC(=O)C(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803674 BFJLJYOSOXGWOM-XYZCENFISA-N 384.245 2.860 0 1 GFAF COc1cc(/C=C/C(=O)N[C@H]2C[C@@H](C)NC(=O)N2)cc(Cl)c1OC(C)C 618015653 DFVQMOMHDNVXJW-ZVAQRADQSA-N 381.860 2.683 0 1 GFAF Cn1cc(-c2ccc(Cc3n[nH]c4ccc(NS(C)(=O)=O)cc34)cc2)cn1 653742634 DDMBDFURJHEOSG-UHFFFAOYSA-N 381.461 2.926 0 1 GFAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cc(Cl)ccc3Cl)N2C(=O)[C@@H]2CCCN12 963218758 IYEMXMMKDGZNKZ-OFQRWUPVSA-N 391.258 2.564 0 1 GFAF CCCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccccc1 1772657035 UXKUSSXRYWHIRN-FQEVSTJZSA-N 397.500 2.810 0 1 GFAF COc1ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c2c1C[C@H](C(C)(C)O)O2 2356541949 RMTZLMXSFDXFBI-SUMWQHHRSA-N 386.400 2.540 0 1 GFAF COc1ccc(-c2cn3c(n2)CO[C@H](CNCc2ccc(C(=O)O)cc2)C3)cc1 2356759641 JNJXJIWRZZQURI-LJQANCHMSA-N 393.443 2.946 0 1 GFAF C[C@@H](NS(C)(=O)=O)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181908 VRPOKYQSMJMPDT-CRAIPNDOSA-N 379.551 2.549 0 3 GFAF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054859 IQMDZIQGDOQBGL-HKUYNNGSSA-N 388.851 2.557 0 1 GFAF CCOC(=O)[C@H](CCc1ccccc1)S[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O 28756421 JFGSPCGBBXYKKA-UAGQMJEPSA-N 393.505 2.748 0 1 GFAF C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NCC(N)=O 103199590 JFRQXCZPMGWTFF-SECBINFHSA-N 384.219 2.550 0 1 GFAF CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N(CC)CCO)n1 29237016 WVIYMIZDHKKNBH-UHFFFAOYSA-N 386.448 2.586 0 1 GFAF Cc1cc(C)c2c(=O)n(CC(=O)N3CCN(C4CCCCC4)CC3)sc2n1 20355523 ZMZJYLNWKQBQQW-UHFFFAOYSA-N 388.537 2.552 0 1 GFAF CCOC(=O)C[C@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82160234 CSOHLRASZHGCTP-LBPRGKRZSA-N 375.425 2.923 0 1 GFAF CN(C)CCNC(=O)/C=C/c1cccc(/C=C2\Oc3ccccc3NC2=O)c1 40846492 DUFNMYZAVBSIEM-MWGNTOPISA-N 377.444 2.750 0 1 GFAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 299874141 AWTIKGXAYFOOSE-AFCIEUTPSA-N 388.508 2.589 0 1 GFAF CC[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)CC(C)(C)C1=O 653791396 RHJCSODMHPFHAX-MRXNPFEDSA-N 391.899 2.552 0 1 GFAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(Cl)ncnc2[nH]1 586952712 GLDMQWMZYBKGCK-UHFFFAOYSA-N 392.853 2.931 0 1 GFAF CCOC(=O)Cc1ccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 587232275 VNCJGPGQTLUUSJ-HZPDHXFCSA-N 387.480 2.705 0 1 GFAF COCCOc1cccc(F)c1[C@@]1(C)NCCc2ccc(C(=O)N(C)C)cc21 962930875 MZRJUCUTMUCRTJ-QFIPXVFZSA-N 386.467 2.962 0 1 GFAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccn(C)n1 13559118 QTDIMHOBCIUGOA-AWEZNQCLSA-N 380.489 2.893 0 1 GFAF Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 13764537 PLJCELRWRGZCMC-UHFFFAOYSA-N 381.524 2.716 0 1 GFAF N[C@@H](CC(=O)N1CCc2c(noc2C(F)(F)F)C1)Cc1cc(F)ccc1F 14948985 LQNXSVUCRBBYHQ-LLVKDONJSA-N 389.324 2.816 0 1 GFAF COC(=O)[C@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 169355868 XWKQYSFFCKQMDI-QSNWEANLSA-N 396.418 2.516 0 1 GFAF Cc1cccc2c1CCN2C(=O)c1ccc2c(n1)N(C1CC1)[C@@H](C)C(=O)N2C 1857762965 AJDTYTOJOZPUQG-AWEZNQCLSA-N 376.460 2.927 0 1 GFAF CC(C)S(=O)(=O)NC[C@H]1CC(c2ccc(-c3cccnc3)c(F)c2)=NO1 103248011 IIMPBBFTVGOKCF-OAHLLOKOSA-N 377.441 2.709 0 1 GFAF O=C(CSc1nnc(Cn2nnc3ccccc32)o1)Nc1ccc(F)cc1 103206034 WBQBXIMGZHFWAZ-UHFFFAOYSA-N 384.396 2.733 0 1 GFAF N[C@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccc(Cl)cc4)C3)c[nH]c21 28473537 XOHKNCJZSMLXPF-DWQUBVKVSA-N 391.928 2.664 0 1 GFAF Cc1ccc(CNCC2(F)CCN(C(=O)c3cnn4ccccc34)CC2)nc1 64548836 XMTJQAZKTVECPQ-UHFFFAOYSA-N 381.455 2.772 0 1 GFAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)C[C@@H]1O 26508702 NBDWJVSTDQLLBS-SQWLQELKSA-N 380.876 2.860 0 1 GFAF O[C@@H]1CNCC[C@H]1n1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1 71340617 RLQVFZWNEHNDCB-NHCUHLMSSA-N 398.470 2.802 0 1 GFAF CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C 38937686 AVNWVPFTETXHIK-UHFFFAOYSA-N 392.463 2.732 0 1 GFAF O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H](C2CC2)c2cn[nH]c21 49035060 GGLJIWWAQROXNZ-OAHLLOKOSA-N 385.367 2.767 0 1 GFAF Nc1c(F)c(NCCNc2ccccn2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 72123292 SHIPRRRHWXEJSD-UHFFFAOYSA-N 397.410 2.675 0 1 GFAF CC(C)N1CCN(C(=O)O[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1 223475464 PKJXWHAOERGKFE-HNNXBMFYSA-N 386.418 2.842 0 1 GFAF COC(=O)c1ccc([C@@H](O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1 473155988 SBXGYTFHVHPQTC-FQEVSTJZSA-N 397.452 2.869 0 1 GFAF COc1cc2c3c(c1)O[C@@H](CCCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587437798 LHCKSNNXQUMLBG-SJORKVTESA-N 377.396 2.888 0 1 GFAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(Br)ccnc2[nH]1 587229839 CLOWJUUVDTUHEG-WDEREUQCSA-N 381.274 2.757 0 1 GFAF O=C(CCNC(=O)[C@@H](Cc1ccccc1)Cn1ccnc1)OCc1ccccc1 1772598642 RNQBFDJDOFFQJU-NRFANRHFSA-N 391.471 2.992 0 1 GFAF O=Cc1nc2c(cc1CO)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1 1772638914 JBUOFCIPTDGSOS-UHFFFAOYSA-N 380.326 2.785 0 1 GFAF CS(=O)(=O)N(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCCCC1 5560581 IPIVOOVPZJWHPE-UHFFFAOYSA-N 397.541 2.969 0 3 GFAF O=C(Cn1cncn1)N1CCC([C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 12758486 XTYIVYGHUDOTNH-GOSISDBHSA-N 387.915 2.692 0 1 GFAF CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1ccc(OC)cc1OC 13130879 NLNPCDWXWFCGQI-ZDUSSCGKSA-N 398.341 2.690 0 3 GFAF NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12 1857542345 NFBPYNYPYRTHSU-UHFFFAOYSA-N 386.337 2.763 0 1 GFAF O=S1(=O)CCCCN1C[C@@H](O)Cn1c2cccc(F)c2c2c(F)cccc21 148478742 XHCMDCBFLIRMPJ-CYBMUJFWSA-N 394.443 2.859 0 1 GFAF CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12 2690431 YAEORLXYTDKCHO-UHFFFAOYSA-N 381.461 2.957 0 1 GFAF Cc1cccc(C(=O)NCC(=O)OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1 3256167 PCIWROXJYZFFKI-JTSKRJEESA-N 386.492 2.695 0 1 GFAF CC[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)C(=O)N2)c1cccs1 6817298 PWEGFSWBJWARFZ-PWSUYJOCSA-N 393.490 2.704 0 3 GFAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@@]2(C)C[C@@]1(C)[C@@]4(CO)C(=O)OC 2356435156 SWXWVRQIVSZLGF-BXXSPATCSA-N 380.488 2.997 0 1 GFAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4C(F)(F)F)C[C@H]3C2)n1 116825590 FEGRSJWBCANIGL-OKILXGFUSA-N 391.397 2.716 0 1 GFAF CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccc4)c3)nc2n(CCC)c1=O 34660325 XHAWSVGLZHETMF-UHFFFAOYSA-N 378.436 2.559 0 1 GFAF CCN(CC)C(=O)c1ncc(C2=CC3(CCNCC3)Oc3ccccc32)cn1 43076200 XJMZTKMOFXBEGY-UHFFFAOYSA-N 378.476 2.905 0 1 GFAF CC(C)(C)[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)c1nnn[nH]1 146406496 FEPDNDUUWQVRQN-CYBMUJFWSA-N 398.389 2.930 0 1 GFAF CO[C@](C)(C(C)C)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 95583450 PXRPXQKBRGMQJJ-HRAATJIYSA-N 398.486 2.998 0 1 GFAF C[C@@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(-c2noc(CCC3CCCC3)n2)cc1 299858072 GDJANRNMFHNVOW-WNYOCNMUSA-N 398.507 2.759 0 1 GFAF COc1cccc(-n2cc(CN3CCN(c4noc5ccccc45)CC3)nn2)c1 653716346 NEZNCPQFUGFHNG-UHFFFAOYSA-N 390.447 2.739 0 1 GFAF CCOC(=O)c1[nH]cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591050 UGVMRLNNMNMUFL-KUHUBIRLSA-N 380.356 2.995 0 1 GFAF NC(=O)c1cccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969588 NHXMVUZKDYKCMT-UHFFFAOYSA-N 395.400 2.733 0 1 GFAF COc1cc2c3c(c1)O[C@@]1(c4cccc5nc(O)n(c45)CC[C@@H]1N=O)[C@@H](C2)C3=O 587435948 KVCJKWTYJDGRGE-PCMMCCAGSA-N 391.383 2.932 0 1 GFAF COc1ccc(CNC(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427547 DOBOPJTXRXWADJ-VGSWGCGISA-N 381.428 2.916 0 1 GFAF O=C(O)CC[C@]1(c2ccc[nH]2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962631563 ILUSJCIIYOAPCO-GUYCJALGSA-N 398.337 2.621 0 1 GFAF CCCC(=O)c1c(O)c2c(c3c([C@H](O)CC)cc(=O)oc13)O[C@@H](C(C)(C)O)C2 13429615 KJESFZJNOLYRHM-TZMCWYRMSA-N 390.432 2.999 0 1 GFAF biogenic Cc1cc(N)nc(C[C@@H]2CNC[C@H]2OCCNC[C@@H](F)c2cccc(F)c2)c1 169326820 NOLWAWWUERSXHH-NSISKUIASA-N 390.478 2.559 0 1 GFAF CCCOc1cccc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)c1 209050294 YOMBQQMRXLBASO-VHFSOBRXSA-N 382.464 2.622 0 1 GFAF COc1ccccc1-n1c(O)nc2c(C(=N)NO)nc(-c3ccccc3)nc21 1857557401 DYUWLMCPWKSFHJ-UHFFFAOYSA-N 376.376 2.501 0 1 GFAF CC(=O)N1C(=S)NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1ccc2c(c1)OCO2 1857567289 MSHJOFCKIQEXTF-KRWDZBQOSA-N 390.461 2.666 0 1 GFAF CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1 13143720 AMCLCMPJKYHDTR-UHFFFAOYSA-N 376.413 2.682 0 1 GFAF CC[C@@H](O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 14708557 ALFZPGQZISPNOG-OLZOCXBDSA-N 390.432 2.855 0 1 GFAF biogenic CC(=O)O[C@@H](C)OC(=O)N(C[C@H](O)COc1cccc2[nH]ccc12)C(C)C 26951288 HPPOMZGDDQHFPI-CABCVRRESA-N 378.425 2.664 0 1 GFAF COC(=O)c1[nH]c2ccc(OC)cc2c1C(=O)c1cc(O)c(OC)c(OC)c1 45253113 MBBWAGNRSOTKDM-UHFFFAOYSA-N 385.372 2.917 0 1 GFAF COc1ccc(C(N)=O)cc1NC(=O)NCc1ccc(N2CCCCCC2)nc1 45645470 FDGDDEUDNWMPTM-UHFFFAOYSA-N 397.479 2.891 0 1 GFAF CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(C)(=O)=O 95579382 PWQAFTLRVOOHII-UHFFFAOYSA-N 395.864 2.804 0 1 GFAF O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95893511 AQXNNYWGKMHKPX-PCCBWWKXSA-N 376.456 2.802 0 1 GFAF O=C(NC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1)c1cccnc1 95894930 BUTOOXDHWZTZNV-VSKRKVRLSA-N 379.504 2.831 0 1 GFAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)c2ccncc2)cc1 95895008 UEFOLBWVTVSDRS-XQSGKZBLSA-N 393.487 2.610 0 1 GFAF COCC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1)C(C)C 95895488 MGAORVRFBDAGHY-XPNTWCBSSA-N 386.536 2.944 0 1 GFAF COC(=O)[C@@H](Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N(C2CCCC2)C1=O 101678023 OCKZAMMZTWPTKQ-OAHLLOKOSA-N 392.839 2.548 0 1 GFAF CC(C)NC(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1 114346197 AZXGLCRHYDZCNX-UHFFFAOYSA-N 378.436 2.871 0 1 GFAF COc1cccc(-c2cc(C)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 117708548 NCLIKZGVDCOYTP-MRXNPFEDSA-N 375.432 2.773 0 1 GFAF CC(C)N(Cc1c[n+]([O-])c2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1 169334040 VYOBGYRMQYFGMP-UHFFFAOYSA-N 394.266 2.544 0 1 GFAF COc1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@@H](OS(N)(=O)=O)[C@@]3(C)CC[C@@H]21 169685529 AOEHUXLJSHGXHN-ZGPDXJMCSA-N 381.494 2.846 0 1 GFAF NCC[C@H]1CNC(=O)c2cc(-c3ccnc(Cl)c3)c(-c3ccc(CO)cc3)n21 207260233 HPXHJTNCJPAWOK-INIZCTEOSA-N 396.878 2.996 0 1 GFAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)c(O)c2[nH]1 586961231 GPEZJDLXWPFCMH-RXMQYKEDSA-N 382.243 2.962 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H](CN[C@@H]3C(=O)O)C2)N1 587791614 GPOVAWLADAJRKW-YRCHETELSA-N 397.288 2.790 0 1 GFAF O=C(Nc1ncccc1OCC1CCCCC1)[C@H]1NNC(=O)[C@@H]2CCCC[C@H]12 618014510 UPIQIOYKTOHYJK-JZXOWHBKSA-N 386.496 2.789 0 1 GFAF Cc1nccn1-c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1 653767519 UNKBJQJUXHOOJI-UHFFFAOYSA-N 399.405 2.815 0 1 GFAF CCOC(=O)[C@@H](Sc1nc(NC)c2sc(=S)n(CC)c2n1)C(C)=O 957877277 HSXDKGLMTCKHQO-QMMMGPOBSA-N 386.524 2.897 0 1 GFAF CC(C)[C@@]1(c2c[nH]c(C(=O)O)c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963220614 FABSCTMRSQKLLW-NQIIRXRSSA-N 379.416 2.760 0 1 GFAF CN1C(=O)[C@@H](NC(=O)c2ncc(Cc3ccccc3)s2)COc2ccccc21 1772572302 ULDZVSQOTVSBOS-INIZCTEOSA-N 393.468 2.888 0 1 GFAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C(=O)[C@H](O)[C@H](C)[C@@]23CC[C@@]2(C=COC2)O3)C1(C)C 2356590235 HOIUWXWVVKJHSD-FAWQKGMZSA-N 392.492 2.772 0 1 GFAF COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C[C@@H]1COC(=O)[C@@H]1C2)OCO3 1575127 YIIRKVZAEAXDAD-UKRRQHHQSA-N 398.411 2.996 0 1 GFAF COc1cc(C[C@H](C(=O)O)[C@@H](CO)Cc2ccc(OC)c(OC)c2)ccc1O 13372348 WFRZWIDPAWVEAS-CVEARBPZSA-N 390.432 2.513 0 1 GFAF biogenic N=C(N)c1ccc(CCCCC(=O)N[C@@H](CC(=O)O)Cc2ccccc2)cc1 13741892 IKKGAXSNUUBAFD-LJQANCHMSA-N 381.476 2.886 0 1 GFAF COc1ccc2c(C)nc(N3CCC(C(=O)N4C[C@H](C)O[C@H](C)C4)CC3)nc2c1 14879425 UAKFYLNZIPAMIS-GASCZTMLSA-N 398.507 2.799 0 1 GFAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)cc(Cl)nc32)C[C@H]1O 40690216 NBDWJVSTDQLLBS-IJEWVQPXSA-N 380.876 2.860 0 1 GFAF Cc1cc(N)nc(C[C@@H]2CNC[C@H]2OCCNC[C@H](F)c2cccc(F)c2)c1 49054901 NOLWAWWUERSXHH-LSTHTHJFSA-N 390.478 2.559 0 1 GFAF CC(=O)c1ncccc1N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1 53294776 LCFDWZFEMIINEP-UHFFFAOYSA-N 391.387 2.509 0 1 GFAF CNc1nc2cnc(Nc3cccc(C(C)=O)c3)cc2n1CCN1CCOCC1 82082911 ZCKHQJMDDUPLNO-UHFFFAOYSA-N 394.479 2.751 0 1 GFAF COc1ccccc1N1CCN(C(=O)/C=C/c2cc(OC)c3c(c2)OCO3)CC1 95561024 MMNQUDDQVWIVIR-BQYQJAHWSA-N 396.443 2.795 0 1 GFAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)CCCC(=O)O)/C=C/C(=O)O1 101044336 MOGVXKCDKQZYPO-KPAKZFSHSA-N 394.464 2.768 0 1 GFAF CCCSc1nc(NC)ncc1C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101550218 FZJGLFGFJINUAX-QGLUENRYSA-N 376.526 2.690 0 1 GFAF CC[C@H]1Cn2c(c3nc(-c4cc(C)n(C)n4)nc-3n(Cc3ccccc3)c2=O)N1 169724899 SRFGPAUEEQHCDW-HNNXBMFYSA-N 389.463 2.506 0 1 GFAF COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F 203054450 DDBWDRLKMVNSDA-UHFFFAOYSA-N 388.378 2.786 0 1 GFAF [C-]#[N+]c1ccc(N2CCC[C@@H](NC[C@H](O)c3ccc4c(c3C)COC4=O)C2)nc1 261177987 VIQHSFVRXXYYNC-UZLBHIALSA-N 392.459 2.903 0 1 GFAF CS(=O)(=O)c1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 586926911 RGFGQODQKOVSFG-UHFFFAOYSA-N 395.444 2.693 0 1 GFAF CC(C)Oc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586957855 DPZRFHFDKHFXMH-GOSISDBHSA-N 375.450 2.819 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1 587232307 WHPRHTFDPQYUFK-SJORKVTESA-N 388.512 2.540 0 1 GFAF NC(=O)Nc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587241524 FIZXZXKDDNGXGY-UHFFFAOYSA-N 375.392 2.780 0 1 GFAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(C(=O)O)cc1)(c1cc[nH]c1)NCC2 962930751 MJXJAWHARANWKN-QHCPKHFHSA-N 389.455 2.852 0 1 GFAF CNC(=O)Nc1cc(Oc2cnccc2C)c(-c2ccc(OCCO)nc2)cn1 1857583075 XJJQINAUBRDFIN-UHFFFAOYSA-N 395.419 2.762 0 1 GFAF Cc1cc(C)cc(Nc2nccc(-c3c(CO)nnn3C3CCNCC3)n2)c1 1857588564 PYRVHRPHHLORKP-UHFFFAOYSA-N 379.468 2.512 0 1 GFAF CC(C)n1nc(-c2ccc3oc(=N)[nH]c3c2)c2c(Br)[nH]c(=N)nc21 1857617541 BJEPBULKEVIYBP-UHFFFAOYSA-N 388.229 2.803 0 1 GFAF Cc1cc(C(=O)[C@H]2C(=O)Nc3ccccc32)c(C(=O)N2CCCCC2)c(O)n1 1857768653 CQNSYTOMLMLXKS-INIZCTEOSA-N 379.416 2.640 0 1 GFAF COc1ccc2c(c1)[C@H](O)[C@H]([C@H]1COc3ccc4c(c3[C@@H]1O)CCCO4)CO2 2356500752 AYFYREJCCXAGKG-VYXDICFBSA-N 384.428 2.804 0 1 GFAF COC(=O)[C@@]12CC[C@@]3(C=CCN4C(=O)C[C@@]5(C1=Nc1c(OC)cccc15)[C@@H]43)C2 2356635700 HGQBJRIJBYPBDS-VXSCBNMQSA-N 378.428 2.533 0 1 GFAF COc1cc([C@H]2OC(O)(O)[C@@H]3[C@@H]2CC[C@H]3c2ccc(O)c(OC)c2)ccc1O 2356769092 WMZWZCHVRDZUQP-WZBLMQSHSA-N 388.416 2.635 0 1 GFAF CC(=CCCC(=CCC=C(CC(=O)c1cc(O)ccc1O)C(=O)O)CO)CO 2356865452 WKZSQKPOCWPLQY-UHFFFAOYSA-N 390.432 2.709 0 1 GFAF COc1ccccc1NC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 4327693 XDGROSDQSCBHDQ-UHFFFAOYSA-N 392.444 2.926 0 3 GFAF C[C@H]1[C@@H](NS(=O)(=O)c2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206042628 SKPYJKOQTAATLJ-LDDOYCOJSA-N 382.551 2.986 0 3 GFAF COCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC(C)(C)O2 2487758 NMSIYKGEEBHGJH-SJLPKXTDSA-N 376.497 2.824 0 1 GFAF CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccc(OC)cc12 26508520 BDUSZNONBZSSTB-LJQANCHMSA-N 394.427 2.650 0 1 GFAF Cc1ccc([C@@H](C)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)o1 101064504 ACYREHAZQPOKBX-LLVKDONJSA-N 383.404 2.508 0 1 GFAF Cc1cc2nc(N3CCOCC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103247284 UXCJAAPGWFJWPY-UHFFFAOYSA-N 389.463 2.587 0 1 GFAF O=C(Nc1ccccn1)Nc1cccc2c1[C@H]1CC3(CCN1C2=O)OCCO3 116937433 CLICWNXOVVYVTM-OAHLLOKOSA-N 380.404 2.759 0 1 GFAF Cc1c(N2CC[C@@H]3NCCC[C@@H]32)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 27423246 JOHVRQYRUFMDOF-IRXDYDNUSA-N 385.439 2.653 0 1 GFAF CCOc1nc2ccccc2nc1C(=O)N1CCN(Cc2ccccc2)CC1 66098983 WDPWPIGTMQRYFU-UHFFFAOYSA-N 376.460 2.987 0 1 GFAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC21CCNCC1 81052772 RRDNDDVJTMOEGW-UHFFFAOYSA-N 389.459 2.946 0 1 GFAF CC(C)C(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 223689818 DZSDTCIZDKZYNA-UHFFFAOYSA-N 396.520 2.665 0 1 GFAF O=C(NCc1cccs1)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 199248678 CYFUTLVKZOXYIG-QGZVFWFLSA-N 383.473 2.770 0 3 GFAF CCn1c(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)n[nH]c1=S 95593304 WOKYABKHURCERI-UHFFFAOYSA-N 393.472 2.956 0 1 GFAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)N1CCN(C)CC1 261152838 PHOGKWBKNQASCX-QUCCMNQESA-N 385.556 2.837 0 1 GFAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(Oc2cccc(Cl)c2)cc1 473109226 RFKFIQJDJHIBQS-GOSISDBHSA-N 376.840 2.900 0 1 GFAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c1 586921087 CESPNCFHOGGNMG-UHFFFAOYSA-N 387.505 2.888 0 1 GFAF COC(=O)C(=O)C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597318 YHQQSTRWLCMRMI-LAUBAEHRSA-N 384.384 2.881 0 1 GFAF COC(=O)/C(=C\N(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574607 XWADELIEQPESBN-KAOLJVDFSA-N 383.400 2.731 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N2CCOCC2)N1 587768720 VYAQOZCUESCVKP-APPDUMDISA-N 385.277 2.587 0 1 GFAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586958314 IFUBGKANJAFGRS-HNNXBMFYSA-N 387.795 2.963 0 1 GFAF Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)NCCc2c(C(=O)O)cccc21 963124004 PEHDKUACMLQCNV-IBGZPJMESA-N 389.477 2.836 0 1 GFAF COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257511 XYWRZQQANNOTTD-IRFCIJBXSA-N 385.416 2.724 0 1 GFAF endogenous,in-man O=C(CC1(c2cccc(Cl)c2)C2CC3CC1CC(C2)C3O)N1CC(O)C1 202365879 LHUAVCJXAGUCCG-UHFFFAOYSA-N 375.896 2.598 0 1 GFAF Cc1ccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c2c1 3591481 CNNGFFVUIQQOHY-UHFFFAOYSA-N 375.428 2.644 0 1 GFAF CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1 3800861 IMYIXKWHJNYXNZ-MRXNPFEDSA-N 398.334 2.691 0 1 GFAF CS(=O)(=O)c1ccc(-c2cc(C(=O)CCCO)nn2-c2ccccc2)cc1 13560530 JJAOTWLPSBUUQT-UHFFFAOYSA-N 384.457 2.898 0 1 GFAF N=C(N)c1cccc(Oc2ccc(C(=O)O)c(Oc3cccc(C(=N)N)c3)n2)c1 13797433 AGISMPMQZWVBJT-UHFFFAOYSA-N 391.387 2.933 0 1 GFAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccc(C#N)c2)c1=O 25429267 YLDUPSWFIJRSLW-AEFFLSMTSA-N 376.460 2.924 0 1 GFAF biogenic CNC(=O)CN1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1 28896513 YJIHRITUIVWNPX-UHFFFAOYSA-N 398.898 2.901 0 1 GFAF O=C(C[C@@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccccc1 35271557 YDZKZOIFEBHVTR-SFHVURJKSA-N 376.464 2.728 0 1 GFAF C[C@@H]1N[C@H](CC[C@H](CCCO)CCCCCC[C@@H](O)CC(=O)O)CC[C@H]1O 85488311 UMAPXMPJFAVENC-CENDIDJXSA-N 387.561 2.833 0 1 GFAF biogenic,in-vitro CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95895256 NIPDWBSESJFELC-YPAWHYETSA-N 378.472 2.555 0 1 GFAF Cn1c(N2CCN[C@H](c3ccccc3Cl)C2)nc(-c2ccncc2)cc1=O 116774555 VEGNFCDCYREMAX-SFHVURJKSA-N 381.867 2.647 0 1 GFAF CC1(C)C[C@@H](O)CCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146235672 WYONIFFIPHQDLD-AWEZNQCLSA-N 395.450 2.701 0 1 GFAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H]([C@@H]1CC=CCC1)NCC3 209529331 BWTDWMAKXZWFIU-CRAIPNDOSA-N 390.487 2.706 0 1 GFAF CCOc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](O)CC3)c2=O)cn1 261189950 YTNNVODUWWRSRY-SHTZXODSSA-N 395.463 2.619 0 1 GFAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@H](O)[C@]56CO[C@H](C[C@H]1[C@@H]2OC(C)(C)O4)[C@@H]36 504679163 ROMZGRYIOOHATE-MYGFTAKLSA-N 390.520 2.934 0 1 GFAF biogenic CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncnc2[nH]1 586938698 XSLOQDGLEHXOSZ-CYBMUJFWSA-N 391.522 2.742 0 1 GFAF Cc1c(Br)cnc2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc12 586950056 NVRLWWZGQOPQBH-UHFFFAOYSA-N 395.282 2.991 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1cccc(N4C(=O)C=CC4=O)c1)[C@@H](C2)C3=O 587437454 IMBDQSMUCFWMIG-KSFYIVLOSA-N 375.380 2.787 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](CN1CCOCC1)(c1cnn(CC)c1)CC2=O 587474391 DDCWEWXZSRUMPE-QFIPXVFZSA-N 399.491 2.754 0 1 GFAF C[C@H]1Oc2c(cccc2C(=O)NCCCN2CCCc3ccccc32)NC1=O 653753991 LYAPTTNKIRHVBK-OAHLLOKOSA-N 379.460 2.979 0 1 GFAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)c2ccccc2[C@@H]2CN(C)CC[C@H]21 963472269 PQCVMSDACUBLKB-FAODYONGSA-N 378.472 2.592 0 1 GFAF Cc1cc(Nc2nc(C(=O)N3CCC(O)CC3)nc3ccc(Cl)cc23)n[nH]1 1772643262 KPCXPTZRDANCFF-UHFFFAOYSA-N 386.843 2.655 0 1 GFAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O)c1ccncc1 2356302567 ZENKZFSDFRRVRC-ZVDOUQERSA-N 393.443 2.618 0 1 GFAF COC(=O)c1ccc2nc(CO[C@H]3CN(Cc4nccs4)C[C@@H]3F)[nH]c2c1 2356666574 CKLKXKTYKYWDFQ-WFASDCNBSA-N 390.440 2.545 0 1 GFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NC3CCC(F)(F)CC3)C[C@@H](O)[C@H]2CO)n1 2356770934 LTOLZXYYIHXIBS-WNRNVDISSA-N 397.510 2.842 0 1 GFAF COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 206057998 ULZQCARGUCWEAH-DOTOQJQBSA-N 390.436 2.566 0 3 GFAF O=C(c1ncc[nH]1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCc1ccccc1 29125413 OFKFFYKVZCMSNO-OALUTQOASA-N 380.492 2.681 0 1 GFAF COc1cc(OC)c2c(=O)cc(CN3CCN(c4ccccn4)CC3)oc2c1 95579425 FUIDPMUSAFOMQD-UHFFFAOYSA-N 381.432 2.527 0 1 GFAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1nc2cnccc2[nH]1 96282804 FFXPRDZEZDYFRV-UHFFFAOYSA-N 392.440 2.721 0 1 GFAF COc1ccc(-c2nnc(NC(=S)NC(=O)COc3ccc(C)cc3)o2)cc1 103169533 WAVRTBLLAPXWQM-UHFFFAOYSA-N 398.444 2.946 0 1 GFAF CC(=O)O[C@@H]1CC2=C3[C@H](C1)[C@@]1(C[C@@H](c4ccoc4)OC1=O)[C@H](C)C[C@H]3OC2=O 238783059 GMHUPLXKKUACIO-XARFXPIFSA-N 386.400 2.858 0 1 GFAF N[C@H](CCc1ccc(O)cc1)[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 299827321 GEYBDNKUHPHUFQ-AEFFLSMTSA-N 377.377 2.824 0 1 GFAF CC[C@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(F)cc1 299882263 PKHZZPQCBZZQHS-DZGCQCFKSA-N 399.470 2.513 0 1 GFAF CCCCS(=O)(=O)N[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)C(C)C 586933340 PQDFNPMYVYMZEL-SNVBAGLBSA-N 379.408 2.740 0 1 GFAF Cc1csc([C@@](O)(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)C(F)(F)F)n1 587094938 WRSFCLZVJRSILN-AWEZNQCLSA-N 383.355 2.902 0 1 GFAF NC(=O)c1cccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 587144899 QREUKHQCPNQLMU-LBPRGKRZSA-N 377.217 2.806 0 1 GFAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1 587203401 NRPPKJRYIBYWCF-UHFFFAOYSA-N 386.437 2.864 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1C=C(C(=O)O)NN1c1ccccc1)O2 587394678 YPPCTKFFUTUMIF-RXVVDRJESA-N 379.416 2.663 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3cccs3)CC1)O2 587411181 YILKTRGSFXVTJX-UHFFFAOYSA-N 392.502 2.827 0 1 GFAF CCOCCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587436968 WOHUWGBUISQQPB-OPAMFIHVSA-N 379.412 2.721 0 1 GFAF Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1NCCc2c1sc(C)c2C 963012417 QCSAERLDEPDKGY-WMLDXEAASA-N 379.551 2.773 0 1 GFAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccc(F)c(F)c2)n1 2356289308 SRXOYRVRFWAGGT-FIYPYCPBSA-N 391.462 2.568 0 1 GFAF CC(C)NC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@H]1O 2356316340 XWGCKTGTYRUWOU-QXCYLLTESA-N 378.557 2.865 0 1 GFAF COc1ccc2c(c1)CN(C(=O)COc1ccccc1)CC[C@@H]1COC(=O)N21 2356382704 KXKMJYBJQWGAQE-MRXNPFEDSA-N 382.416 2.832 0 1 GFAF COc1cccc(CN2C[C@@H](C(=O)NCCCCc3ccccn3)CCC2=O)c1 12304854 DJWPSJLKMBVVCO-IBGZPJMESA-N 395.503 2.968 0 3 GFAF COc1ccc(Cc2nc3ccc(C(=O)NC[C@H]4COCCO4)cc3o2)cc1 12386333 RAARFKKVXWLRIL-KRWDZBQOSA-N 382.416 2.572 0 3 GFAF CC(C)Cn1c(=O)cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O 198298650 SRGHBBMQHNSJOR-UHFFFAOYSA-N 396.413 2.538 0 3 GFAF Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)n1 2662704 NUIUTSLPBYRSLL-ZUOKHONESA-N 395.467 2.507 0 3 GFAF Cc1cccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)c1 103545496 DFCTYTZDHUAVNE-INIZCTEOSA-N 385.423 2.941 0 1 GFAF C[C@H]1C[C@@H](C)CN(C[C@@H](O)CNC(=O)Nc2ccc(Br)cc2)C1 58487565 PERWFFOQCNSMAR-ZENOOKHLSA-N 384.318 2.909 0 1 GFAF COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4cccnc4)C3)n2)cc1 9118960 AGLIZYAOHDWDLZ-OAHLLOKOSA-N 379.420 2.995 0 1 GFAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2OC)cc1 100101683 APOPLBIQOXCTTH-KPSUDUGOSA-N 384.501 2.857 0 1 GFAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)OCC3(C)C)c2)nc1 113544040 PCJNXOPRHGSPBZ-AWEZNQCLSA-N 383.448 2.903 0 1 GFAF CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1COCC1=O 29569786 VWNRZEDBERAUKL-PMACEKPBSA-N 394.471 2.582 0 1 GFAF O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1)c1ccccc1 25968429 QDJFUMQNAWRXOP-IBGZPJMESA-N 380.444 2.821 0 1 GFAF CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)OCC(Cl)(Cl)Cl)C(=O)O 2356824030 GRGCGXJCTZPHIC-ZETCQYMHSA-N 378.636 2.610 0 1 GFAF CN1C(=N)N[C@@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)CCO3)C1=O 38215320 VACMQJOAIDVTHB-QHCPKHFHSA-N 384.439 2.923 0 1 GFAF C[C@H](O)[C@@H]1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)C1 225553846 PKMNBMNENSNPSE-DZGCQCFKSA-N 389.463 2.628 0 1 GFAF CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(OC(F)(F)F)ccc1-2 43129067 CNEHRQMKOUFFMX-UHFFFAOYSA-N 379.298 2.568 0 1 GFAF CCCCn1nnnc1[C@@]1(C)CCC(=O)N1CCc1ccc(OC)c(OC)c1 199214493 CZZRMZLKURMNFH-HXUWFJFHSA-N 387.484 2.571 0 3 GFAF Cn1c(-c2ccco2)nc2ccc(C(=O)NCc3ccc(F)cc3)c(O)c2c1=O 84713102 YDTXYOKQBHVTLW-UHFFFAOYSA-N 393.374 2.968 0 1 GFAF Cc1cn(C)nc1N(C)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146524749 HIFGQLMIGSYKQI-UHFFFAOYSA-N 391.422 2.644 0 1 GFAF CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F 95894498 CNWBELVFJUWSNA-HBFSDRIKSA-N 383.423 2.943 0 1 GFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1N1CCN(C(C)=O)CC1)[C@@H](C2)C3=O 587445899 YTYDHFUFPULINK-MBSDFSHPSA-N 392.455 2.852 0 1 GFAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)sc2c1C(=O)N/C(=C/Cl)N2 587564428 SAPLYZYTFFTOJW-YWEYNIOJSA-N 375.797 2.666 0 1 GFAF COC(=O)C(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587809480 RNTFSCXPVUNOLT-LTHLMHMASA-N 384.245 2.860 0 1 GFAF CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)CC(=O)c2cc(C)cc(N)c2O1 587393701 KIILTSVLNAZIKB-NRFANRHFSA-N 379.416 2.957 0 1 GFAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(CO)cc2[nH]1 587181815 DZQOXBXPESJRKF-VIFPVBQESA-N 382.205 2.774 0 1 GFAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)cc(C)c3[nH]2)[C@@H](C)O)cc1 586937809 UODURYOLKFEZNT-ACJLOTCBSA-N 389.477 2.589 0 1 GFAF FC(F)(F)Oc1ccc2c(-c3nc4cc(-n5cnnn5)ccc4[nH]3)n[nH]c2c1 587126909 IFWNJICJNSSORJ-UHFFFAOYSA-N 386.297 2.981 0 1 GFAF CN(Cc1nc2cccc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928423 AQHVGUFCERAVGF-UHFFFAOYSA-N 379.825 2.735 0 1 GFAF COC1=COC(C(=O)O)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587832862 LHBWLKITEUREEI-PWJLMRLQSA-N 384.201 2.804 0 1 GFAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587067345 VOKACZIIOKIJBH-UHFFFAOYSA-N 396.808 2.863 0 1 GFAF CNS(=O)(=O)N1CCC(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CC1 586955422 ICHGKBFGWRAVRV-UHFFFAOYSA-N 386.477 2.999 0 1 GFAF Cn1cccc1[C@@]1(C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963152367 UPOMCZZEHYJHGS-SGTLLEGYSA-N 377.466 2.992 0 1 GFAF COc1ccc2c(c1OC)[C@H](c1cc(C)n(-n3cnnc3)c1C)N(C)[C@@H](C)C2 962638652 XENKPIAHMVVZCE-RBZFPXEDSA-N 381.480 2.991 0 1 GFAF COc1cc2c(cc1OC)C(=O)C[C@H](CN1CCN(c3ccccn3)CC1)C2 13589199 XGKXPQMZVGRMDJ-MRXNPFEDSA-N 381.476 2.666 0 1 GFAF COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 169311503 NMGOVUSWQPVCMX-MTQWCTHYSA-N 390.439 2.530 0 1 GFAF O=C(NCCCCN[C@@H]1COc2ccc(O)cc2C1=O)c1cc2ccccc2[nH]1 1857567166 LXDKFBSEJYAHRD-LJQANCHMSA-N 393.443 2.617 0 1 GFAF CC(=O)NCc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1 203850105 OQWKSXIIRQRYPG-UHFFFAOYSA-N 386.455 2.920 0 1 GFAF COc1ccc(O[C@@H](C)CN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 205637542 RBHDUKXJDDGJKI-KRWDZBQOSA-N 384.476 2.929 0 1 GFAF CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4045591 HDOZSERUZGQMQB-PZJWPPBQSA-N 395.503 2.979 0 1 GFAF CC[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)C(=O)N2)c1cccs1 6817303 PWEGFSWBJWARFZ-CMPLNLGQSA-N 393.490 2.704 0 3 GFAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)c1cc(OC)c(OC)c(OC)c1)C2 101323992 UQKXCGKVDCHFBT-CQSZACIVSA-N 386.400 2.968 0 1 GFAF CC(C)c1cc(O)c(I)cc1Cc1cnc(N)nc1N 116343754 OFPNUNGBABGIRX-UHFFFAOYSA-N 384.221 2.665 0 1 GFAF COc1ccc(C(=O)c2c(O)n(CCN3CCOCC3)c3ccccc23)cc1 26836448 MOEKXHNUQKNXKP-UHFFFAOYSA-N 380.444 2.919 0 1 GFAF NC12Oc3cc(O)cc(O)c3C1(c1ccc(Cl)cc1)c1c(O)cc(O)cc1O2 31905909 GCKOUNXPRLOQKM-UHFFFAOYSA-N 399.786 2.894 0 1 GFAF C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1 219128402 ZCIXPYLTPDBCHK-NSHDSACASA-N 388.353 2.798 0 1 GFAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CSCC(=O)N1Cc1ccco1 199230339 CALFXCLEHBSXIP-LJQANCHMSA-N 388.445 2.524 0 3 GFAF COc1cc(N)c(C2=NN(C(=O)CCc3ccccc3)CC2)c(OC)c1OC 96907961 ZDVCPPWZNPDCNV-UHFFFAOYSA-N 383.448 2.864 0 1 GFAF CCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@]2(C)CCc1ccccc1 96909518 CCYYRIRDVPAGJO-WZONZLPQSA-N 398.503 2.569 0 1 GFAF CN(C)Cc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1 149990434 XDLOBCCVWSDDPG-UHFFFAOYSA-N 381.461 2.618 0 1 GFAF CS(=O)(=O)N1CCC(Nc2ncc(Cl)c(NCc3ccccc3)n2)CC1 299827152 GGKBCXBRHBASOT-UHFFFAOYSA-N 395.916 2.578 0 1 GFAF CCOC(=O)C[C@H](C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC 587399114 IAIJERXLIBBHIC-ZUOKHONESA-N 377.437 2.824 0 1 GFAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC)C[C@H]1OC)CC2=O 587478740 SWBBHPCPCPVXHF-YLJYHZDGSA-N 377.437 2.926 0 1 GFAF COC(=O)CN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587768222 LSDJAIFKYNPDQP-LLVKDONJSA-N 385.277 2.587 0 1 GFAF O[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)C1CCOCC1 586912187 BBYCPJCAIPGBJP-JTQLQIEISA-N 391.063 2.943 0 1 GFAF COC(=O)c1ccc(Oc2ccc3nc(-c4c[nH]c(=N)nc4O)[nH]c3c2)cc1 587253949 UCJWMXYSNMURQE-UHFFFAOYSA-N 377.360 2.717 0 1 GFAF Cc1cc(C)c2c(c1)[C@]1(N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)[C@@H](N)CC2 963237228 XAPYNAFTADCSDA-AOHZBQACSA-N 387.483 2.968 0 1 GFAF O=C(c1nc(Nc2cc(C3CC3)[nH]n2)c2cc(Cl)ccc2n1)N1CCNCC1 1772631677 JCJFEWWMFMUUJZ-UHFFFAOYSA-N 397.870 2.673 0 1 GFAF N[C@@H](CC(=O)N1CCc2c(n[nH]c2C(F)(F)F)C1)Cc1cc(F)ccc1F 14948971 KVRMYQSOYRIRJG-LLVKDONJSA-N 388.340 2.552 0 1 GFAF COC(=O)c1c(C(=O)c2nccc3cc(OC)c(OC)cc23)ccc2c1OCO2 15219495 YSVHFDWCDJQIJF-UHFFFAOYSA-N 395.367 2.998 0 1 GFAF biogenic CCOC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169300758 RJLMGMCXBGHCTN-LHUKNYEISA-N 398.484 2.828 0 1 GFAF COC(=O)c1ccccc1-n1cc(COC(=O)NCCc2ccccc2)nn1 203462748 SLCSDNPZDRPZNV-UHFFFAOYSA-N 380.404 2.523 0 3 GFAF Cc1ccc(-n2nc(C3=CCNCC3)cc2NC(=O)c2cnn3cccnc23)cc1 204757677 KSPVAGMFOXGMLD-UHFFFAOYSA-N 399.458 2.852 0 1 GFAF COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 205220854 ROQPPUVNHYBHNU-GOEBONIOSA-N 392.864 2.772 0 3 GFAF O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc2n1C1CC1 4238211 ZNOWZFSVEUEVJV-UHFFFAOYSA-N 383.839 2.678 0 1 GFAF Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N5CCN(CCO)CC5)(C4)C2)C3)cc1 101120068 ZKIZNVPLEOOMPU-CSKPTYFESA-N 382.548 2.970 0 1 GFAF O=C(c1ccccc1I)c1ccc2n1CC[C@@H]2C(=O)O 25994724 ZWBPDJVVSDJUDG-JTQLQIEISA-N 381.169 2.896 0 1 GFAF Cc1nc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)c(C)o1 113655344 ZZZPIVDRDSYYLA-KRWDZBQOSA-N 382.342 2.531 0 1 GFAF O=C1N[C@H](C(=O)O)Cc2ncn(c2Cl)C/C=C/COc2ccc(Cl)c1c2 103260949 QUDCZXQWFLQTLO-YUKKFKLSSA-N 396.230 2.564 0 1 GFAF COCCn1ccc2nc(C)c(C(=O)Nc3cc(OC)ccc3OC)cc2c1=O 21538721 XZMJJXRRAUARPU-UHFFFAOYSA-N 397.431 2.621 0 1 GFAF Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Br)ccc3c2n1 73195579 WIBSQFZCYSNLHX-IUCAKERBSA-N 376.283 2.740 0 1 GFAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C)C1 95868502 GXXXFTPDUXBDLZ-HXUWFJFHSA-N 377.488 2.909 0 1 GFAF C[C@@H]1[C@@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)CCC[C@H]1C 251854601 PHTKJTQURPUOOM-AOIWGVFYSA-N 399.601 2.760 0 3 GFAF COc1cc2c(cc1OC)CN(c1cncc3sc(C(N)=O)c(N)c13)CC2 621431202 DNTOPOQUBGRZGL-UHFFFAOYSA-N 384.461 2.557 0 1 GFAF COc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cn1 587185795 NZKFIANVLHHGDV-NSHDSACASA-N 394.216 2.814 0 1 GFAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Br)cc2[nH]1 586930146 MWJQEJQMASGMEI-UHFFFAOYSA-N 396.266 2.860 0 1 GFAF Cc1ccc(-c2nnc(SCc3nc4c(O)nc(S)nc4[nH]3)n2C)cc1 586965334 JFHAVDFMDYWCLL-UHFFFAOYSA-N 385.478 2.743 0 1 GFAF N=c1nc(O)c2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2[nH]1 587024476 ANUIUMXVAKOZHS-AVGNSLFASA-N 398.492 2.607 0 1 GFAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(S(N)(=O)=O)cccc2[nH]1 587147987 DUBGOOQYJIMUJB-UHFFFAOYSA-N 389.387 2.556 0 1 GFAF Cc1cc2c(cc1N1C(=O)c3cccc4cc(O)cc(c34)C1=O)n(C)c(=O)n2C 1772638400 MYIGQQDEMVIHBG-UHFFFAOYSA-N 387.395 2.845 0 1 GFAF Cn1cc(C(=O)c2cncc(NC(=O)COc3ccccc3)c2)c2cncnc21 169707879 ADZADMXQEQLMBF-UHFFFAOYSA-N 387.399 2.612 0 1 GFAF CC(C)CCNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 20562899 OLNREJYGFCEMBG-UHFFFAOYSA-N 391.537 2.978 0 1 GFAF CCCSc1ccc2c(c1)nc(NC(=O)OC)n2COP(=O)(O)O 29134852 GMGMGJYRUXSJBO-UHFFFAOYSA-N 375.343 2.784 0 1 GFAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1 34022852 VFKVOTBFKBDPHZ-HXUWFJFHSA-N 386.404 2.960 0 1 GFAF CNC(=O)c1coc([C@H]2[C@H]3CC[C@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 36190174 XRRNUAXUYMWVSW-ITQYTPKQSA-N 384.432 2.555 0 1 GFAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NCC(C)(C)O)nc21 71329831 GEXRMYURKXTGJO-UHFFFAOYSA-N 376.363 2.582 0 1 GFAF COC1=C[C@@]2(Oc3ccc(-c4ccc5c(c4)OCO5)cc3C2=O)C(OC)=C[C@H]1O 73166565 UAGMWZCUVFUKDE-IVZQSRNASA-N 394.379 2.831 0 1 GFAF CCCCc1ccc(Nc2ncc3ncn([C@@H]4C[C@@H](O)[C@H](CO)O4)c3n2)cc1 95560501 XQKCYHNCEAZZOW-SQNIBIBYSA-N 383.452 2.553 0 1 GFAF CN(C)CCc1c([C@@H](c2c[nH]c3ccccc23)[C@@H](O)CO)[nH]c2ccc(O)cc12 103241724 KYYGLQFKUQDRLE-VXKWHMMOSA-N 393.487 2.944 0 1 GFAF COc1ccc(O[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)cc1 118325558 RJTDYBWABFIJMR-KRWDZBQOSA-N 387.348 2.805 0 1 GFAF NC1=N[C@@]2(CO1)c1cc(Br)ccc1OC1(CCCC1)C21COC1 149292952 DTJVAANWMRFEEX-KRWDZBQOSA-N 379.254 2.711 0 1 GFAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2Cc3ccccc3C2)nc1 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396.466 2.964 0 1 GFAF O=S(=O)(O)[C@@H](CC=C[C@@H](O)c1ccc(O)cc1)CCc1ccc(O)cc1 2356821574 GCOXCNWFFQOSSA-RBUKOAKNSA-N 378.446 2.967 0 1 GFAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 4041042 PZLBWILAVIBRLK-TZIWHRDSSA-N 398.507 2.895 0 1 GFAF CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)cc1 4205883 MUHFMBNRTCIPDH-HKUYNNGSSA-N 388.851 2.939 0 1 GFAF Cc1noc(C)c1Cn1cc(N2C(=O)[C@H](C)N(Cc3cccc(O)c3)C2=O)cn1 115731438 DTGMDFOHVZBFOC-ZDUSSCGKSA-N 395.419 2.599 0 1 GFAF CCOC(=O)COc1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1 100619137 XWGUFOIYAYBBFJ-HNSKJHPRSA-N 396.447 2.549 0 1 GFAF Cc1ccc(-n2c(SCCN3CCOCC3)nc3nncc-3c2O)cc1C 103976855 NQMKVMXSPVMPEB-UHFFFAOYSA-N 385.493 2.514 0 1 GFAF COC[C@@H]1CCCN1C(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@H](C)O 2356303019 JTXSNVCNAZKOEW-JSGCOSHPSA-N 390.436 2.663 0 1 GFAF CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)O[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 101091143 YUCQEDZULBKWMG-BRWVUGGUSA-N 389.496 2.623 0 1 GFAF 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389.521 2.727 0 1 GFAF COc1ccc(CC(=O)O[C@H](CN2CCN(C)CC2)c2ccccc2)cc1OC 1857760165 LAOJFWRNIASXBE-JOCHJYFZSA-N 398.503 2.778 0 1 GFAF NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc32)c(Cl)cc1Cl 1857762084 YAIQQAHCNJQINN-UHFFFAOYSA-N 384.244 2.873 0 1 GFAF CC[C@@](C)(C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)c1cnccn1 4571304 MXCVMCNSLBLUAO-UWJYYQICSA-N 388.512 2.715 0 1 GFAF CC(C)CCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@]23C=C[C@H]1O3 13138878 LJJDMVUTPBDCCC-NEYJZJCJSA-N 388.895 2.784 0 1 GFAF CCCC[C@]1(CO)C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H](O5)[C@@H]1O 25998247 FUENFDZJVVFQJQ-XIZLMIBOSA-N 387.520 2.504 0 1 GFAF CC1(C)CC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O 28525194 JSAALSYHHBZMKK-UHFFFAOYSA-N 379.391 2.943 0 1 GFAF C=Cc1c(C)nn(CCCN2CCN(c3ccc(Cl)cc3)CC2)c(=O)c1N 45302128 SMGZCDWACBHYAU-UHFFFAOYSA-N 387.915 2.643 0 1 GFAF CS(=O)(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103653 IVXZGODDVVFFQJ-GOSISDBHSA-N 379.913 2.838 0 1 GFAF COc1ccc(C[C@H]2CCn3nncc3COC[C@@H](CC(C)C)NC2=O)cc1 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COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(NN)c1 587867891 DQMVMLSEUHLDNF-UHFFFAOYSA-N 377.326 2.947 0 1 GFAF O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O 587926063 KBTLHOLONIFRCH-OAHLLOKOSA-N 383.356 2.904 0 1 GFAF Cc1ccccc1[C@@]1(c2c[nH]c(C(N)=O)c2)c2ccsc2CCN1C(N)=O 962705754 GMDHMXDSMMJHGK-FQEVSTJZSA-N 380.473 2.712 0 1 GFAF CC(C)C[C@@H]1CC(Nc2nn[nH]n2)=C[C@]2(C1)c1ccsc1CCN2C(N)=O 962717690 UYJZCZRZQQAQEF-KZULUSFZSA-N 387.513 2.845 0 1 GFAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1Cn1cccn1 963475026 YWYBUTFDZXYDAT-UWJYYQICSA-N 393.443 2.642 0 1 GFAF Cc1c2nc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C 1911573332 QUUJBVJUUYFSFX-UHFFFAOYSA-N 391.262 2.597 0 1 GFAF O=C(O)CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12 6785025 NBBRVDRFPNUTGF-UHFFFAOYSA-N 382.807 2.763 0 1 GFAF CC(C)NC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356395957 XYEPBXVKFWDSRA-CHWSQXEVSA-N 376.432 2.775 0 1 GFAF N[C@H](CCC(=O)n1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)O 103194745 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COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=N[C@@H]3[C@H]2C(=O)NC(=O)N3C)cc1 618016376 RCPDDUVZAOLYBO-NJAFHUGGSA-N 383.448 2.989 0 1 GFAF CCCCc1nc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)n1C 473133206 YSPAKWMWSFPXDS-AWEZNQCLSA-N 377.872 2.930 0 1 GFAF CC[C@H](C)[C@H](N)C(=O)N1CC(=O)c2sc(Nc3ccc(F)cc3)nc2C1 299849450 UVJXWFMVOLORLA-BONVTDFDSA-N 376.457 2.924 0 1 GFAF COc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cn1 586977118 YDFQUWXXXZPLHI-HNNXBMFYSA-N 393.241 2.794 0 1 GFAF CCCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c2ccccc21 587651604 WWUXPVCSBLICPN-NRFANRHFSA-N 398.484 2.872 0 1 GFAF O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(CO)cc3[nH]2)c1)N1CCC1 586956010 YKBAKDNKEBGZDQ-UHFFFAOYSA-N 377.853 2.770 0 1 GFAF Cc1cnc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1C 962924889 ICXDPWRZAFYUBQ-RBUKOAKNSA-N 379.416 2.915 0 1 GFAF OCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1 1772636434 OJIVNOLMACUNGQ-UHFFFAOYSA-N 384.415 2.919 0 1 GFAF CCc1c(-c2ccc(N3C[C@@H]4CCCN[C@H]4C3)cc2)nc(O)c(C(=O)O)c1O 1772639702 CHFQWHJSGYEFBZ-BBRMVZONSA-N 383.448 2.609 0 1 GFAF COc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)NCc2cccnc2)[C@@H]2C=C[C@H]1C2 12566042 UUMOMJJBWIADAQ-LPWQTFTOSA-N 377.444 2.783 0 1 GFAF Cn1c(=O)[nH]c2nc3ccc(OCCCS(=O)(=O)c4ccccc4)cc3cc21 13725745 NHSCJGOJCUSYKC-UHFFFAOYSA-N 397.456 2.658 0 1 GFAF Cn1cc2c3c(c[nH]c3c1=O)CN(CC1CC1)c1ccc(CS(C)(=O)=O)cc1-2 1857639015 AGRVPCMMHQFJTH-UHFFFAOYSA-N 397.500 2.808 0 1 GFAF CCOc1ccc(OCC[C@H](O)CNCCOc2ccccc2OC)cc1 1857744858 UWFRBUJRBISXFY-KRWDZBQOSA-N 375.465 2.892 0 1 GFAF COc1ccc(OCCN2CCN(C(=O)c3ccc(OC)cc3)C[C@@H]2C)cc1 205776588 ZQKCHIRJVKTOHH-KRWDZBQOSA-N 384.476 2.929 0 1 GFAF C[C@H]1CCCCN1CCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 6806353 KNKUPLZDRYKOFM-HNNXBMFYSA-N 388.537 2.737 0 1 GFAF Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 22996750 YLQIMDLHNNYLRH-UHFFFAOYSA-N 387.505 2.553 0 3 GFAF COc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3cccc(OC)c32)cc1 26389502 XKCRAVMKYHCIDA-UHFFFAOYSA-N 388.489 3.000 0 1 GFAF NC(=O)COc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114338178 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O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2[nH]1 96282805 YQLQLHWTRSVIQZ-UHFFFAOYSA-N 398.488 2.668 0 1 GFAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)C1 299874310 BDXHQTVNOYZSIB-SFHLNBCPSA-N 377.444 2.515 0 1 GFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587205834 GCVMDSBVIVRIGB-HNNXBMFYSA-N 395.375 2.587 0 1 GFAF CCOC(=O)C[C@H](C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC 587399113 IAIJERXLIBBHIC-XCLFUZPHSA-N 377.437 2.824 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(Cl)ncnc4[nH]3)cc12 587038364 RQAMPAOJWLSHEN-ZETCQYMHSA-N 375.845 2.754 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 586946006 FNEIUETWPJJDIE-LBPRGKRZSA-N 392.868 2.736 0 1 GFAF CCn1cc([C@@]2(CC(=O)C(=O)OC)c3c(F)cccc3C[C@@H]3CCCN32)c(C)n1 963100749 JDAPZJQRZJARDJ-AOMKIAJQSA-N 399.466 2.747 0 1 GFAF CCOc1cccc([C@H]2c3ccsc3CCN2C(N)=O)c1OCC(=O)O 962721126 YXQDXVYIGRWDCD-MRXNPFEDSA-N 376.434 2.636 0 1 GFAF CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)CNc2ccccc2)c1 1772654079 UCROBJNWHTYECS-GOSISDBHSA-N 387.436 2.953 0 1 GFAF CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2nccn2C)cc1 12316497 QXEVUFCCCSDHFY-NRFANRHFSA-N 394.519 2.582 0 3 GFAF COc1ccc([C@@H](N[C@H](C(=O)O)C(C)C)c2nnnn2Cc2ccccc2)cc1 1857597787 XFUADLKHGIJKIC-RBUKOAKNSA-N 395.463 2.518 0 1 GFAF O=c1c2ncn(CCCCO)c2[nH]c2nc(-c3ccc(C(F)(F)F)cc3)cn12 1857619666 QOBIDFBVJKCQST-UHFFFAOYSA-N 391.353 2.831 0 1 GFAF COC(=O)c1c(O)c2c(c3c1O[C@@H]1OCCC[C@@H]1C3)O[C@@H]1OCCC[C@H]1C2 1857749331 VLCZSLVUCNVMRL-VSBNPSRXSA-N 376.405 2.554 0 1 GFAF CC1=C(C(=O)O)[C@@H](c2ccc(OCCn3ccc4cccnc43)cc2)NC(=O)N1 28706699 ARNSDDHVNJIHDL-GOSISDBHSA-N 392.415 2.828 0 1 GFAF CC(C)Nc1nc(-c2ccc3c(c2)OC(C)(C)C(=O)N3)cc2ncn(C)c(=O)c12 115622686 WXBPLBMMAAMQNC-UHFFFAOYSA-N 393.447 2.925 0 1 GFAF CC1CCN(C(=O)c2ncn3c2c(=O)[nH]c2ccc(Br)cc23)CC1 61922151 UWEGAAXTNHVDCA-UHFFFAOYSA-N 389.253 2.810 0 3 GFAF CC(C)Nc1nc(-c2ccc([C@@H]3CCC(=O)N3)cc2)cc2ncn(C)c(=O)c12 115624864 XBARPRNEDNKXCY-HNNXBMFYSA-N 377.448 2.767 0 1 GFAF COc1ccc([C@@H]2Sc3c(F)cccc3N(CCN(C)C)C(=O)[C@H]2O)cc1 27744024 MDGHORXBYLKKAZ-ROUUACIJSA-N 390.480 2.937 0 1 GFAF O=C1NCCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 26934890 YCEMNWOAMQPFIH-CQSZACIVSA-N 393.212 2.743 0 1 GFAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356742122 URGORGLYIPMNMS-CUDHKJQZSA-N 387.499 2.819 0 1 GFAF CC[C@@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(C(=O)O)(C3)C2)N1CCCC(F)(F)C1 36286343 BZGXRUGRHXHQKS-UCTXRZFMSA-N 384.467 2.892 0 1 GFAF CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 39115027 HZKKJPDVZGOOPU-PZJWPPBQSA-N 379.504 2.663 0 1 GFAF in-vivo Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCC(c4ccccn4)CC3)cc21 40979383 LKDOLMVCMFVBKP-UHFFFAOYSA-N 378.432 2.598 0 1 GFAF COc1ccc2c(c1OC)[C@@H]1OC(=O)CCc3cc4c(cc3[C@H]2N1C)OCO4 85996485 WJHNBJCKXAFTEW-FPOVZHCZSA-N 383.400 2.955 0 1 GFAF COc1ccc2c3c1O[C@H]1C(=O)[C@H](C(C)=O)C[C@H]4[C@H](C2)N(CC2CC2)CC[C@@]314 195059735 OHTVSMGBAJOEFI-OLZZFSTQSA-N 381.472 2.529 0 1 GFAF COc1ccc(-c2nc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cc1OC 621429326 GRGGBSIBJRGNSS-MRXNPFEDSA-N 382.416 2.692 0 1 GFAF CC(C)COc1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587970589 KXUSDBPEDAEORR-XYYAHUGASA-N 397.225 2.859 0 1 GFAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 586945876 CNTSHAOMPIYZNB-AWEZNQCLSA-N 375.425 2.826 0 1 GFAF CCOC(=O)C1=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(O)cc2O1 587454025 RBESMFLYWIKZAY-IVZQSRNASA-N 394.379 2.883 0 1 GFAF CC(=O)n1[nH]c(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1=O 587795593 RDUDWEOTPBYADU-QPFGOUBPSA-N 396.260 2.844 0 1 GFAF N=c1[nH]c2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc-2c(Cl)[nH]1 587043733 UNPLIHQVFMANGP-MRVPVSSYSA-N 381.248 2.679 0 1 GFAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)c(F)c2[nH]1 587204317 PHQUXGBJITZNOM-SNVBAGLBSA-N 385.237 2.543 0 1 GFAF CC(=O)c1ccc(OCc2cc(C(=O)N[C@@H](C)CCn3cccn3)no2)cc1 12585334 GHZJAXPNYISCFT-AWEZNQCLSA-N 382.420 2.861 0 3 GFAF COc1ccc(C(=O)c2nc(C(=O)O)cc3cc(OC)c(OC)cc23)cc1O 13470143 IQSBFNXCTOJXNY-UHFFFAOYSA-N 383.356 2.895 0 1 GFAF CCNC[C@H]1CCN(c2cc3c(c(C)c2F)c(=O)c(C(=O)O)cn3CC)C1 13649743 AOWOXYYUPIDXLF-CYBMUJFWSA-N 375.444 2.603 0 1 GFAF Cc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)CCn3cnnn3)c2)[nH]1 1857565726 BUQGASOBUGNCMC-UHFFFAOYSA-N 392.398 2.602 0 1 GFAF COc1cc2c(cc1OC)-c1c(C=O)c3ccc(OC)c(O)c3c(=O)n1CC2 1857643055 XYPGJQLLBHGNHA-UHFFFAOYSA-N 381.384 2.769 0 1 GFAF Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cc1Cl 1363560 CSMDXPUERWUBQV-CQSZACIVSA-N 396.896 2.959 0 3 GFAF CCCCN(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCC1)S2 3027388 BCPUZOWLQIKKEP-HXUWFJFHSA-N 390.553 2.614 0 1 GFAF O=C(C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)c1c[nH]c2ccccc12 3591520 DJEVFGYPIVOODX-UHFFFAOYSA-N 397.381 2.613 0 1 GFAF COCC(=O)N[C@@H]1[C@H](c2ccccc2)N(CCCc2ccccc2)CC[C@]1(C)O 2356289097 PLPVTHQDPLTIIS-VXNXHJTFSA-N 396.531 2.948 0 1 GFAF CN(CCc1ccccn1)CC[C@@H]1CN(C(=O)C2CCC2)CC[C@H]1CC(=O)O 2356483584 PPEKAGLZUHIZCC-RBUKOAKNSA-N 387.524 2.686 0 1 GFAF CC(C)(O)[C@@H]1CC[C@H]2[C@@H]1[C@H](O)C[C@H]1[C@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@H]4[C@H]3CC[C@H]12 2356611051 HQSCGCHTEXSADB-GLQFFOJJSA-N 392.580 2.965 0 1 GFAF COC(=O)[C@@H]1CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 15273524 MXHRBHXSJSGQKW-UPURRAAWSA-N 384.476 2.920 0 1 GFAF biogenic O=C(Nc1ccccc1N1CCNCC1)c1cc(-c2ccc3c(c2)OCO3)on1 84727514 BIXJAPFHJDNHHQ-UHFFFAOYSA-N 392.415 2.732 0 1 GFAF COc1cc(OC)cc(-c2nc(C(=O)NCc3ccc(C(N)=O)cc3)cs2)c1 82081816 FZFHZERYAFWGNA-UHFFFAOYSA-N 397.456 2.856 0 1 GFAF CSc1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1 98194873 APNWUSPACREXJG-INIZCTEOSA-N 392.510 2.502 0 1 GFAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@H]1CNC(C)=O 95894965 LLORUJGLHNUMBM-NJDAHSKKSA-N 385.508 2.638 0 1 GFAF CN(C(=O)[C@]12[C@H]3[C@@H]4[C@]5(C(=O)C67C8C9C6C6C7C8C96C)[C@H]3[C@@H]1[C@@H]5[C@@]42C)C(C)(C)C 299815255 MVEPNNJIZFXFLP-YTKWIJJZSA-N 375.512 2.698 0 1 GFAF O=C(c1cccn(Cc2ccccc2)c1=O)n1ncc2ccc(Cl)cc2c1=O 587655276 ZFLJMHMFLZYOLT-UHFFFAOYSA-N 391.814 2.948 0 1 GFAF COC1=CN(C)C(C(=O)O)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587755546 AUOQHFRXNKLESV-XLFHBGCDSA-N 397.244 2.719 0 1 GFAF COc1cc(N)c(I)cc1-c1nc2ccnc(OC)c2[nH]1 587179577 ZVEUATUUABUUNB-UHFFFAOYSA-N 396.188 2.829 0 1 GFAF C[C@@]1(O)OC(=O)C(c2ccc(Cl)cc2)=C1c1ccc(S(C)(=O)=O)cc1 13488596 SOCDFDQSDXQOHR-GOSISDBHSA-N 378.833 2.920 0 1 GFAF CCCn1c(=O)c2[nH]c(-c3ccc(O[C@@H](C)C(=O)O)cc3)cc2n(CCC)c1=O 13678964 PMNVTYJKRYGRPH-ZDUSSCGKSA-N 399.447 2.830 0 1 GFAF CN1C(=O)[C@@H]2C[C@H]3[C@@H]4Nc5ccc(Cl)cc5C(C)(C)[C@@H]4CN3[C@@H]2N(C)C1=O 169336413 LEEFVVZQTDQNSU-YRXRADQDSA-N 388.899 2.582 0 1 GFAF O=C1O[C@@H](CO)CN1c1ccc(-c2ccc3c(c2)NC(=O)C2(CC2)O3)c(F)c1 1857634086 ATXAJTOKFYZZJL-CYBMUJFWSA-N 384.363 2.674 0 1 GFAF O=C(Cn1ncc2c3ccccc3nc-2c1O)N1CCC(N2CCCCC2)CC1 103536047 TZERXDGUCGEQKA-UHFFFAOYSA-N 393.491 2.719 0 1 GFAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@]1(O)Cc1ccccc1C2)c1ccc(Cl)s1 101140341 LRKSZTJQEVWHDS-JCURWCKSSA-N 383.922 2.988 0 1 GFAF CCOC(=O)N1CC[C@@H]2c3c(nc(-c4ccc(OC)cc4)[nH]c3=O)S[C@H]2C1 28524496 WJLYNZTYNQMVLS-KBPBESRZSA-N 387.461 2.866 0 1 GFAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)COc1ccccc1 28766714 LYXKJZCRLQWIIN-WNAWPJITSA-N 388.460 2.750 0 1 GFAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCc1cc(C)no1 29340425 WBMWOBIZAUXEHQ-UHFFFAOYSA-N 380.876 2.869 0 1 GFAF COCCCn1ccc2ccc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21 216031629 DNCHEXVLVFYYGR-HRAATJIYSA-N 385.508 2.718 0 1 GFAF O=C(/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1)NCC[C@@H]1CCCNC1 84689528 GKDGNKRGOJPYMM-HNNXBMFYSA-N 391.475 2.727 0 1 GFAF CC[C@@H]1C[C@@H]2N3CC[C@]4(O)C(=Nc5ccc(OC)cc54)[C@]2(C(=O)OC)C[C@@H]1C3 238774003 CKWXDLJHOHJWOX-VAEUBINJSA-N 384.476 2.652 0 1 GFAF COC(=O)c1cc(Cl)c2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2c1 586931400 BRBKNJSJSOUHPH-UHFFFAOYSA-N 383.813 2.513 0 1 GFAF O=C(O)Cc1c(CC(=O)O)c(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O 587926168 LRFAURCOQZJOTN-UHFFFAOYSA-N 383.356 2.515 0 1 GFAF O=C(CCc1nc2ccc(CCO)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587023403 ANQNATWCEGZXTC-UHFFFAOYSA-N 394.460 2.583 0 1 GFAF CC(=O)[C@@H]1C(=O)OC(C)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587830461 FHIQTDFARZQEGK-PHGJCAOCSA-N 382.229 2.984 0 1 GFAF COc1cc2c3c(c1)O[C@]1(C=NN(CCC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587436265 PBCFSADEJNGIEJ-BTYIYWSLSA-N 378.384 2.619 0 1 GFAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(F)c3[nH]2)c1 587231768 QGZOIPZULARYQI-UHFFFAOYSA-N 384.411 2.650 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(N)(=O)=O)cc2)N1 587840880 NOXMEJUHMPYDAJ-JDNHERCYSA-N 399.285 2.859 0 1 GFAF NS(=O)(=O)c1ccc(-c2ccc([C@H]3NCCc4c(C(=O)O)cccc43)o2)cc1 963125768 ULOMHXMKRAJSMC-IBGZPJMESA-N 398.440 2.527 0 1 GFAF Cc1n[nH]c(C)c1-c1nc(-c2nc(C3(c4ccccc4)CC3)n(C)n2)cnc1N 1772573931 RYEDWDSERPNXBB-UHFFFAOYSA-N 386.463 2.941 0 1 GFAF CCOc1cccc(C(=O)[C@H]2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(C)o2)c1 169687191 WGHTZYCMNVJQDY-ZWKOTPCHSA-N 385.416 2.585 0 1 GFAF Cn1cc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@@H]3C2)c2ccccc21 2356305982 XNBWKVGPFSFXQK-IBGZPJMESA-N 375.476 2.695 0 1 GFAF COCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC(C)(C)O2 2487763 NMSIYKGEEBHGJH-FUHWJXTLSA-N 376.497 2.824 0 1 GFAF CCS(=O)(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 20289805 DEVUKPIITHAFLP-VQIMIIECSA-N 393.578 2.939 0 1 GFAF CSc1ccc(CN2[C@]3(CC(O)=NC3=O)c3ccccc3S2(=O)=O)cc1 27523927 WTIRGYHDDYEHPH-GOSISDBHSA-N 388.470 2.695 0 1 GFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NC(=O)c2cc(C)oc2C(F)(F)F)cc1 2356747989 LOMFLLWORWOMHY-QCEMKRCNSA-N 399.365 2.623 0 1 GFAF COc1c2c(cc3oc(COC(=O)CC(C)C)cc(=O)c13)O[C@@H](C(C)(C)O)C2 2356753321 NHUJMCLEPMGPOW-QGZVFWFLSA-N 390.432 2.965 0 1 GFAF O=c1cc(N2CCOCC2)[nH]c(Cc2nc3ccccc3n2-c2ccccc2)n1 68249665 JHVHZYMEYYOABD-UHFFFAOYSA-N 387.443 2.536 0 1 GFAF COc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](O)C2 3197628 XTGUWFUENAJQSX-LIRRHRJNSA-N 376.405 2.767 0 1 GFAF biogenic CC(=O)N1CCC(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)CC1 35815027 QIINXSZLVDRYHI-UHFFFAOYSA-N 378.432 2.719 0 1 GFAF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(CCc2ccccc2)CC[C@]314 138254859 BXKJGGVENHTVBF-JFDOVZFRSA-N 375.468 2.811 0 1 GFAF C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(CC3CCCCC3)c(=O)n21 82211057 BAZXFCHDCVTLAV-AWEZNQCLSA-N 384.480 2.895 0 1 GFAF COc1ccccc1CNc1nc(N2CCN(c3ncccn3)CC2)ncc1C 82203846 ZVIFWBVFDARPKW-UHFFFAOYSA-N 391.479 2.522 0 1 GFAF CC(=O)O[C@H]1C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]2(CC[C@@]3(C=COC3)O2)[C@@]1(C)O 238783663 STWXHEKCQIJYNQ-BJYRRAHNSA-N 392.492 2.916 0 1 GFAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(C)C2=O)cc1 141090380 GJXQKSQWERLUKB-UHFFFAOYSA-N 383.400 2.630 0 1 GFAF CC(=O)S[C@H](C(=O)c1ccc(Cl)cc1)[C@H](C)C(=O)N1CCC[C@H]1C(=O)O 143587784 DOZOYSPQHWWQPB-FSBGKCOPSA-N 397.880 2.883 0 1 GFAF Cc1cc(N)nc(CCc2cccc([C@@H](CN)Cc3cc(C)cc(N)n3)n2)c1 98208580 HDTLSUGSWFASAI-MRXNPFEDSA-N 376.508 2.723 0 1 GFAF in-vitro Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cnnc(O)c3[nH]2)cc1 586947841 AKDKABSEADDYRF-UHFFFAOYSA-N 381.417 2.835 0 1 GFAF CCOC(=O)Cn1nc(C)c([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1C 963577010 CCQBRLJKMAQJDL-QKVFXAPYSA-N 387.480 2.704 0 1 GFAF CNC(=O)c1cccc(Nc2ncnc(N3CCc4cc(OC)ccc4C3)n2)c1 1772592135 BVURATOIRWDWCP-UHFFFAOYSA-N 390.447 2.546 0 1 GFAF N=C(N)c1ccc(CNC(=O)C2=CCC[C@@H]2C(=O)N2CCc3ccccc32)cc1 13493946 CFYCIRYGCWTVNU-IBGZPJMESA-N 388.471 2.513 0 1 GFAF CC(C)C1(C(C)C)NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 1857571980 KZEOYGAMGCGRBF-UHFFFAOYSA-N 376.476 2.508 0 1 GFAF COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(O)c(O)c2)cc(OC)c1OC 14646702 CKKVZMACENBCGR-CABCVRRESA-N 388.416 2.698 0 1 GFAF biogenic O=C(NCC(=O)N(CCO)Cc1ccccc1)c1cc2cc(Cl)ccc2[nH]1 28119252 WEIHGSZUJVSYKY-UHFFFAOYSA-N 385.851 2.572 0 1 GFAF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(S(N)(=O)=O)CC2 40894793 ITRRXDRKBBXWKJ-KRWDZBQOSA-N 382.869 2.508 0 1 GFAF COc1cc(-c2ccc(-c3ccnc(N4CCOCC4)n3)o2)cc(OC)c1O 45253157 HCRGRNXZXJGHHO-UHFFFAOYSA-N 383.404 2.963 0 1 GFAF O=c1c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c(=O)n1CC1CC1 45366926 BTRZVCRDJQWYSQ-UHFFFAOYSA-N 382.445 2.590 0 1 GFAF O=C([C@@H]1C[C@@H](Oc2ccc(Cl)cc2)CN1)N1CCCN(C2CCC2)CC1 72181492 OQKSKCQEXCCVNW-MOPGFXCFSA-N 377.916 2.536 0 1 GFAF C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211463 SNCWFYGAIIQODC-ZDUSSCGKSA-N 396.422 2.502 0 1 GFAF O=C(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cccnc1 95662076 SWHKUAAZNARFDV-PKTZIBPZSA-N 399.494 2.937 0 1 GFAF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H](C(=O)O)[C@@]2(Cl)C(=O)O 169301081 CBODUWBNIBXAQZ-XNFNUYLZSA-N 386.787 2.986 0 1 GFAF CCC(=O)NCCN1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204995547 YBWKRNZJXVKUQC-UHFFFAOYSA-N 392.503 2.936 0 1 GFAF Cc1ccc(N[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2c2ccccc2)cc1 225876028 FKLXITNLZHSNFA-VQTJNVASSA-N 396.516 2.997 0 1 GFAF CC(C)(SCC(=O)O)c1nc2cc(I)cnc2[nH]1 586960688 YROWBZOWHWUWNQ-UHFFFAOYSA-N 377.207 2.615 0 1 GFAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4nc(Cl)c[nH]c-4n3)cc12 587037606 KOHCUXBXXRDXFD-SSDOTTSWSA-N 375.845 2.706 0 1 GFAF CCOC(=O)[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346437 MMCSEUKPEIMPTH-JLMWRMLUSA-N 399.418 2.802 0 1 GFAF NS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587608465 QVAVPJAOLFCXHP-YLJYHZDGSA-N 397.408 2.743 0 1 GFAF COCCc1noc(-c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nc2)n1 587653453 WMVUTQGZCVMKPW-UHFFFAOYSA-N 383.795 2.673 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(NN)cc1 587868796 SXBPWIKMAIKOMY-UHFFFAOYSA-N 377.326 2.947 0 1 GFAF COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1F 1857573749 MUYMSLBOQQIYEO-IBGZPJMESA-N 392.333 2.762 0 1 GFAF COc1cc(C)c(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 1857775148 YCLQOUREVYZOFQ-UHFFFAOYSA-N 394.435 2.589 0 1 GFAF C[C@]1(O)CCN(C(=O)C2CC2)[C@H](c2cccs2)[C@H]1NC(=O)C1CCCC1 2356289194 RCMSFDIDABRCBE-HLIPFELVSA-N 376.522 2.858 0 1 GFAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccsc1 2356737881 YGYJZDJSMUWKQG-CAMMJAKZSA-N 392.569 2.691 0 1 GFAF Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CN1CCCC1=O 15063416 DRQVXJYSFBISMW-QGZVFWFLSA-N 380.492 2.933 0 3 GFAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(Cc3cccnc3)CCN21 2356303602 ZMMNFAWLJXRRED-OAQYLSRUSA-N 393.535 2.572 0 1 GFAF C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)[C@@H]1C 4675835 PHTKJTQURPUOOM-ZHALLVOQSA-N 399.601 2.760 0 3 GFAF Cc1ccccc1-c1nc(C[S@](=O)CC(=O)NCc2ccccn2)c(C)o1 4924738 GAOLHYLDRQIVHW-HHHXNRCGSA-N 383.473 2.919 0 3 GFAF COC(=O)c1cccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c1 29471884 SQSVEGVXDOBARH-UHFFFAOYSA-N 379.342 2.746 0 1 GFAF C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1O 26646308 XSEATCRLUQXUFA-AOOOYVTPSA-N 393.390 2.601 0 1 GFAF CN(C)CCN1CCN(c2cc(-c3cccc(Cl)c3)nc3ccnn23)CC1 61897283 UEHKPDCZINDEQE-UHFFFAOYSA-N 384.915 2.733 0 3 GFAF O=C1O[C@@H](O)c2c1c(-c1ccc3c(c1)OCO3)c1c3c(ccc1c2O)OCO3 28117653 QREDVBUOBUCABU-HXUWFJFHSA-N 380.308 2.831 0 1 GFAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@H]2[C@H]1C 2356843129 NCEMRNJIGFOWAD-RNBYGORQSA-N 393.572 2.756 0 1 GFAF O=C1c2cc3c(cc2OCN1CCc1ccc(F)cc1)C(=O)N1CCC[C@@H]1O3 72173239 ANSPIMPVDUJTNZ-IBGZPJMESA-N 382.391 2.815 0 1 GFAF CN(C)CCC(=O)Nc1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12 84615296 RISGDPZHROSWOU-UHFFFAOYSA-N 381.461 2.795 0 1 GFAF Cc1ccccc1N1CCC(Oc2nc(-c3ccncn3)cc(=O)n2C)CC1 146538011 WAMMSADPFDYKCF-UHFFFAOYSA-N 377.448 2.594 0 1 GFAF COC(=O)[C@@H](NCC(=O)c1cc(Br)c(Br)[nH]1)C(C)C 96909833 YJESAUWGYVUYQS-JTQLQIEISA-N 396.079 2.510 0 1 GFAF CC(=O)c1cc(-c2nn(C(C)C)cc2-c2ccnc(NC[C@H](C)O)n2)cnc1N 95560654 UYPMLHKHNHVANG-LBPRGKRZSA-N 395.467 2.561 0 1 GFAF Cc1ccc2c(ccc3nc([C@](C)(N)c4ccc(S(=O)(=O)O)cc4)[nH]c32)n1 586959569 RPOLMJAJCHOSIR-LJQANCHMSA-N 382.445 2.888 0 1 GFAF CCn1cc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517860 WIXZFDMBTIQBGY-QFIPXVFZSA-N 396.443 2.775 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(CO)c1ccccc12 587586815 JWSWGKWUZWEVEB-PGRDOPGGSA-N 389.363 2.546 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN2CCN(C)CC2)N1 587766250 MSTLBWZOJIJFQP-ACJLOTCBSA-N 384.337 2.975 0 1 GFAF Cc1c(O)ccc2c1[C@]1(CCCCN(C(=O)OC(C)(C)C)C1)N[C@H](C(=O)O)C2 963552241 PICMEKXCGOOJQM-YCRPNKLZSA-N 390.480 2.916 0 1 GFAF O=C1CC2(CCOCC2)C[C@]2(C1)N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962964214 JRKXAPNZEUICFT-KUHUBIRLSA-N 399.821 2.962 0 1 GFAF O=C([C@@H]1CCCO1)N1CCN(C[C@H](NCc2ccccc2)c2ccccc2)CC1 198327688 MUXRVMAFBSHERF-GOTSBHOMSA-N 393.531 2.841 0 1 GFAF Nc1ccc(CNC(=S)Nc2ccc(C(=O)Nc3ccccc3N)cc2)cn1 1772633399 XJBRQLIURMJOLH-UHFFFAOYSA-N 392.488 2.985 0 1 GFAF COc1cc(C(=O)NCc2cccc(C(=O)NC3CC3)c2)ccc1-c1cn[nH]c1 1772599328 OVQFXLFWQAYHOI-UHFFFAOYSA-N 390.443 2.908 0 1 GFAF COCCNc1ccnc(NC(=O)c2csc(-c3nncn3C(C)C)n2)c1 1772576697 OPCYURAZSZUASX-UHFFFAOYSA-N 387.469 2.688 0 1 GFAF CN(C(=O)c1cc(Cc2ccccc2)on1)[C@H]1COc2ccccc2NC1=O 1772573924 RRKCMOVROKRSEM-SFHVURJKSA-N 377.400 2.737 0 1 GFAF O[C@@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC[C@@H]1F 205262766 GXVPBDZWUHCKCZ-HNAYVOBHSA-N 390.422 2.991 0 1 GFAF C=C1CCC=C(COC(C)=O)C[C@@H](OC(C)=O)[C@H](C(C)C)[C@H](OC(C)=O)C1=O 253668313 XFOYHMKDRKVKPJ-DYXWJJEUSA-N 394.464 2.921 0 1 GFAF COC(=O)N1c2ccccc2[C@@]23CCN4C(=O)C=C[C@@]45CC[C@@]12[C@@H](C5)C(=O)C3 2356418729 UKWWZPHRSRXCPF-JNHSIYEJSA-N 378.428 2.563 0 1 GFAF C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)n1)C(C)(C)O 3947630 ZQJQDDLGWSLWNG-ZDUSSCGKSA-N 397.454 2.888 0 1 GFAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(F)(F)F 27868648 FELHEBZPEPKHML-OAHLLOKOSA-N 388.367 2.739 0 1 GFAF Brc1cnn2c(NCc3cccnc3)cc([C@H]3CCCNC3)nc12 28958964 XETHRXRKOYUSND-ZDUSSCGKSA-N 387.285 2.966 0 1 GFAF COc1c(-c2cc(C)nn2-c2ccc(S(N)(=O)=O)cc2)c(O)cc2occc12 103257045 GETIWNVFROKEKU-UHFFFAOYSA-N 399.428 2.956 0 1 GFAF O=C(NCc1ccc(F)cc1)C1=CC2=N[C@H](C3CC3)C[C@H](C(F)(F)F)N2N1 104038682 QEKWOVMJHIIPQN-DZGCQCFKSA-N 382.361 2.658 0 3 GFAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc(CN3CCN(C)CC3)c1)C2 28339395 UNRGUOAZKUZHRW-QFIPXVFZSA-N 396.487 2.638 0 1 GFAF COc1ccc2c(c1O)N(C(C)=O)[C@@H]1[C@H]3CO[C@H](C)[C@H]4CCC[C@]21[C@@H](N)C[C@H]43 2356586685 KJVGBOUBESFLFR-XBHKOPPNSA-N 386.492 2.556 0 1 GFAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2(C(F)(F)F)CC2)cc1F 216240223 DSWZKXHCUFIPRD-UHFFFAOYSA-N 389.754 2.890 0 1 GFAF O=C(O)c1cn(C2CC2)c2c(c1=O)C=C(F)C1=NN=C(c3ccc(F)cc3)CN12 1911576690 ASRIITGBHKKHQK-UHFFFAOYSA-N 396.353 2.967 0 1 GFAF CCCC[C@@H](O)C1=C[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@]3(O)C1 195296017 WBVBPFKXFKIIPB-JVFOSQBJSA-N 385.504 2.567 0 1 GFAF CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccccc2)c1=O 45355174 JWRMFLBWDBNHOG-UHFFFAOYSA-N 380.473 2.617 0 1 GFAF COC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82081000 RVQTWDCMYLZDAG-HNNXBMFYSA-N 394.383 2.584 0 1 GFAF CN[C@@H](C)C(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)N[C@@H]1CCCc2ccccc21 45245226 IDROMEXQJBMJKF-VBNZEHGJSA-N 398.532 2.913 0 1 GFAF COCc1cccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1 223526704 JXTYHDNAKDVXCQ-UHFFFAOYSA-N 388.512 2.504 0 1 GFAF CN(CC(=O)NCc1ccccc1N)C(=O)c1csc(-c2ccccc2)n1 82073656 GDVNCSULDZRZNO-UHFFFAOYSA-N 380.473 2.781 0 1 GFAF Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCC1)CC3 82196220 LDEZOFNAXMDLBX-UHFFFAOYSA-N 382.489 2.599 0 1 GFAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(OC)cc3)ncn2)c1 199531444 XRJNUQHGIRWPFP-UHFFFAOYSA-N 385.449 2.881 0 1 GFAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1cc2cc(OC)ccc2nc1-3 96934888 IWXBIHYFOOMIJD-RTWAWAEBSA-N 382.391 2.857 0 1 GFAF O=c1cc(-c2ccccc2)c2cc(CCc3cc(O)c(=O)[nH]n3)c(O)cc2o1 98208376 JQQXLUHIJYPVLR-UHFFFAOYSA-N 376.368 2.740 0 1 GFAF in-vitro Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2 95558977 GUUZUGFVBBTFNU-UHFFFAOYSA-N 386.473 2.854 0 1 GFAF O=C(NCc1ccccc1)[C@@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 95571416 FKFQCKLVHPHRKZ-QFIPXVFZSA-N 387.439 2.860 0 3 GFAF O=C1C(=O)N(c2ccc3c(c2)OCCO3)CCN1Cc1ccc(F)cc1Cl 95565188 GZLSLIYZUOCWEM-UHFFFAOYSA-N 390.798 2.626 0 1 GFAF C[S@@](=O)c1cccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)c1 299840350 VDBLETSPPGYFNZ-HHHXNRCGSA-N 376.441 2.900 0 1 GFAF CC1=C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)OCC(=O)OC(C)(C)C 299832647 KATYGPKDIWWZCL-JZAMFZCUSA-N 380.481 2.842 0 1 GFAF Cc1c(Br)cnn1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587651321 QMKFGSNEHRKZEF-UHFFFAOYSA-N 381.617 2.658 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(I)cnn1C)O2 587386677 LIBJLQDGCVXQHO-OAHLLOKOSA-N 397.216 2.796 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1c(I)ncn1C)[C@@H](C2)C3=O 587428977 RQWHZEBOZAEWAK-XPTSAGLGSA-N 396.184 2.522 0 1 GFAF O=[S@](CCCc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1 586957749 BECBMNGHINJQOE-JOCHJYFZSA-N 381.255 2.561 0 1 GFAF CSc1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 586941905 PDZIJBJTARLXPW-UHFFFAOYSA-N 391.474 2.535 0 1 GFAF N=c1[nH]cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)nc-2[nH]1 587153999 IRTCWIGXYPBMET-UHFFFAOYSA-N 378.367 2.541 0 1 GFAF N[C@@H](N=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193576 MMWRCQAUCSCYMF-FQEVSTJZSA-N 381.436 2.806 0 1 GFAF COc1cnc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)nc1 963180623 NOLIMWRLXDRYNB-STQMWFEESA-N 387.745 2.846 0 1 GFAF Cn1cccc1[C@]1(C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963152366 UPOMCZZEHYJHGS-KZULUSFZSA-N 377.466 2.992 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@@H]3CCOC3)c2c(CO)n1)c1ccccc1 1772620033 XKZAKTJDWCWOQE-TZMCWYRMSA-N 397.435 2.501 0 1 GFAF COc1cc(/C=C/C(=O)NCC(=O)c2c[nH]c3ccc(O)cc23)cc(OC)c1O 200368836 QAOPXDWEBPYEBK-ZZXKWVIFSA-N 396.399 2.609 0 1 GFAF CCCS(=O)(=O)c1nnc(COc2cc(C)c3c(C)cc(=O)oc3c2)o1 1857769851 BJUPKPMIJBIOMA-UHFFFAOYSA-N 378.406 2.556 0 1 GFAF COc1cc(C=C(C2=NC(=O)CS2)c2nc3cccnc3n2C)ccc1O 4030190 LCTIAQQHHFNEOI-UHFFFAOYSA-N 380.429 2.895 0 1 GFAF CC[C@@H](C(=O)OC)c1cc(=O)n2c(c1C(=O)OC)-c1nc3ccccc3cc1C2 27421159 CFBYBQGEALOGRN-CQSZACIVSA-N 392.411 2.878 0 1 GFAF O=C(N[C@@H]1C(=O)N(c2ccccc2F)C[C@@H]1C(=O)O)c1ccc2ccccc2c1 28253165 PTRUXWJSDOHQKH-LPHOPBHVSA-N 392.386 2.825 0 1 GFAF C/C1=C\[C@@H](O)C(C)(C)CCC[C@@](C)(O)[C@H](O)C[C@H]1OC(=O)c1ccc(O)cc1 89464645 PTXVSFQAEBBMCK-SHTZNERTSA-N 392.492 2.937 0 1 GFAF CC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C1CCCC1 95895240 PDWWKLBSTQAXPL-RJGXRXQPSA-N 379.504 2.956 0 1 GFAF CCCC[C@@H](O)C1=C[C@@H]2Oc3c(OC)ccc4c3[C@]23CCN(C)[C@@H](C4)[C@]3(O)C1 169295451 WBVBPFKXFKIIPB-VTOCGDMJSA-N 385.504 2.567 0 1 GFAF O=C(NCC(F)F)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 169704221 OCDHRWHIOLGDFC-CQSZACIVSA-N 390.369 2.600 0 1 GFAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)c(=O)n(C)n2)nc1 209443646 CTZGHYQSAMNIBE-CVEARBPZSA-N 377.448 2.740 0 1 GFAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCc5[nH]ncc5C4)ncc23)ccn1 261166219 RYEHQXVMGDUWSW-CQSZACIVSA-N 388.435 2.730 0 1 GFAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Br)nc2[nH]1 586950808 DASYXSBOVHRYOB-UHFFFAOYSA-N 388.272 2.524 0 1 GFAF COC(=O)c1ccnc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc12 587014047 HPLDSMCHXCMDFU-UHFFFAOYSA-N 389.437 2.893 0 1 GFAF CC1=C(c2ccc3nc(-c4cnc(-c5cnn(C)c5)s4)[nH]c3c2)NNC(=O)C1 587020844 BRICVNNWXQIHKI-UHFFFAOYSA-N 391.460 2.842 0 1 GFAF O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3CN[C@@H](C(=O)O)[C@@H]3C2)[C@@H]1c1ccc(F)cc1 587346762 NCMZUMXGPUMOQW-FOJFTXRASA-N 397.402 2.712 0 1 GFAF COc1cc([C@]2(C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC 587399391 KPENVXLNQKVTLC-FQEVSTJZSA-N 387.388 2.548 0 1 GFAF C=CN1CC[C@@H]([C@]2(c3cnccn3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475233 NJADLKYEGOHHKA-ZHRRBRCNSA-N 393.443 2.987 0 1 GFAF CCN(CC)c1ccc(-c2nn(C(=O)CN(C)C)c(=O)c3ccccc23)c(O)c1 587667581 PIEHCGICXXECFM-UHFFFAOYSA-N 394.475 2.817 0 1 GFAF Cc1c(F)ccc2c1[C@@H]([C@H]1CCN(C(=O)CNC(=O)OC(C)(C)C)C1)NCC2 962378579 SVXHBTINJJEAKN-HNAYVOBHSA-N 391.487 2.694 0 1 GFAF CC(C)([C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21)N1C(=O)c2ccccc2C1=O 962894178 HQKYOEXGUZHRGB-IRXDYDNUSA-N 382.391 2.541 0 1 GFAF CCCCN1C(=O)[C@]2(NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962930851 MSFUSXNERULRDO-QHCPKHFHSA-N 377.488 2.924 0 1 GFAF CCOC(=O)CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 1772637412 UFDBQUNMPUSYRP-UHFFFAOYSA-N 394.396 2.951 0 1 GFAF C[C@H](O)c1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)cc1 1911576050 FSNBHIJYWMXLPZ-ZDUSSCGKSA-N 389.463 2.694 0 1 GFAF C[C@@H]1O[C@H](OCCCCCCCCCCC[C@H](O)CC(=O)O)[C@@H](O)C[C@H]1O 2356345353 OEUPNEHVNNGMKN-JNIAIEOXSA-N 390.517 2.596 0 1 GFAF Cc1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)no1 12459794 IOAZXNPBYHZAPG-HNNXBMFYSA-N 375.856 2.734 0 3 GFAF CC(=O)O[C@@H]1C=CC[C@H](C(C)=CC=C[C@H](C)O)OC(=O)C[C@H](O)CC[C@H]1C 2356413012 KCPFGCOVIHILBY-QQXMDYFESA-N 380.481 2.840 0 1 GFAF C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 3045963 BQNRGKURXRLXES-FUHWJXTLSA-N 385.574 2.514 0 3 GFAF CC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2C(=O)NC(C)C 100083566 CGDVQHLNPBSTCW-MUJYYYPQSA-N 380.286 2.566 0 1 GFAF CN1CC[C@@H](N(C)CCC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 77303697 BRQUHCNACAZWJT-QGZVFWFLSA-N 379.932 2.736 0 1 GFAF COCCN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1 40412150 DRSVRQWWPXZVHQ-UHFFFAOYSA-N 396.426 2.801 0 1 GFAF C/C=C1/CN2[C@@H]3C[C@H]1C(C(=O)OC)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12 238734570 XMYAJPDPDDIQNV-DDJIMKAOSA-N 380.444 2.748 0 1 GFAF CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C(C)=O)nc4)cc3SC[C@@H]12 299856777 CAWQYZNBYNXEJV-ROUUACIJSA-N 397.456 2.887 0 1 GFAF Cc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1C 587186392 VGOQXXMKLHEXON-UHFFFAOYSA-N 396.188 2.727 0 1 GFAF CC(=O)CN1C=C[C@]2(NCCc3ccc(C(=O)N(C)C)cc32)c2ccccc21 962923625 ITZLHYHNZDIQMN-QHCPKHFHSA-N 375.472 2.700 0 1 GFAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@]2(CC[C@]3(CO[C@H](O)C3)O2)[C@H](C)[C@H]1O 169310284 XUFKRKJXYWRSRT-JBDXSVLISA-N 396.524 2.788 0 1 GFAF O=C(Nc1ccc(C(=O)N2CC3(CCCO3)C2)cc1)N1Cc2ccncc2C1 165783858 RBWJYGNVJJQEDZ-UHFFFAOYSA-N 378.432 2.634 0 1 GFAF Cc1cc(Cl)ccc1-n1nc(COc2ccc(F)c(C(N)=O)c2F)oc1=O 1857560576 RHUVOUBHRFVZPE-UHFFFAOYSA-N 395.749 2.743 0 1 GFAF CS(=O)(=O)NC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1 1857583812 ISPIJRUITFPISF-UHFFFAOYSA-N 384.244 2.998 0 1 GFAF C[C@H](CCc1ccccc1)NC(=O)CCS(=O)(=O)c1cccc2nonc12 6948200 NWUPHTBMDCXOOY-CQSZACIVSA-N 387.461 2.524 0 1 GFAF CC(C)(CN1CCCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O 58582176 MCEBFAPNLMTKDG-UHFFFAOYSA-N 380.492 2.861 0 1 GFAF CCCN(C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12)[C@@H](C)CC 28892029 ZTNQARXYUILYHE-WMZOPIPTSA-N 378.538 2.990 0 1 GFAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CC[C@H](O)C1 26399623 PIGUGTOVAHBMHD-QHOCJJNXSA-N 382.504 2.543 0 1 GFAF CCOC(=O)C=Cc1cc(C=CC(=O)OCC)c(NC(C)=O)cc1NC(C)=O 2356321603 DWUAQEPBWCLJHY-UHFFFAOYSA-N 388.420 2.756 0 1 GFAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccccc2F)n1 2356758974 WZGGVPPZVPMQCH-CUDHKJQZSA-N 387.499 2.603 0 1 GFAF CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccccc1 72113210 JILWQKIRZCTRHN-WJMWBRGCSA-N 377.396 2.987 0 1 GFAF Cn1cc(-c2cnc(N)c(C(=O)NCc3c(F)ccc(Cl)c3F)c2)cn1 84709719 UFPXXTJUQGOMCT-UHFFFAOYSA-N 377.782 2.926 0 1 GFAF C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccc(O)cc1 199214983 XHQCTPYIYNBDDW-NRFANRHFSA-N 377.448 2.507 0 3 GFAF C[C@H]1CCCCN1c1nccnc1C1CN(C(=O)c2nc3ccccc3[nH]2)C1 145546878 GNHVNNMCOXIBID-AWEZNQCLSA-N 376.464 2.971 0 1 GFAF COc1ccc(OC[C@H](O)CN2CCC(N3Cc4ccccc4C3=O)CC2)cc1 473144613 BOXIFJWEKQNIOS-LJQANCHMSA-N 396.487 2.555 0 1 GFAF Nc1ccc(C(=O)C[C@@]2(O)c3ccccc3-n3c2nc2ccccc2c3=O)cc1 473083169 MXTWOQJMKUUFJC-HSZRJFAPSA-N 383.407 2.790 0 1 GFAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C(=O)O)[C@@H]3C(=O)O 586990532 LJZFIVCVPFACSK-BMIGLBTASA-N 375.336 2.577 0 1 GFAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 587199065 YITOOWDMXFHWIE-UHFFFAOYSA-N 392.444 2.873 0 1 GFAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963228886 OMZFYHZODBMLBK-ODLKPZKQSA-N 383.448 2.668 0 1 GFAF COCOCC[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CF)NCCc2c(C)ccnc21 963078050 WMBCOHSTNAFCGT-OXQOHEQNSA-N 397.491 2.604 0 1 GFAF COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)Cc2nonc2C)cc1 11662364 ZVNBDZKLVZEEBQ-SFHVURJKSA-N 395.463 2.945 0 3 GFAF OCCNc1nc(Nc2ccccc2OC(F)(F)F)nc(N2CCCC2)n1 12509004 DHTBCMKUVOXAGA-UHFFFAOYSA-N 384.362 2.518 0 3 GFAF Cc1cc(=O)n(C(C)C)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12 13641502 MCTQZILVMGKIKD-UHFFFAOYSA-N 378.480 2.834 0 1 GFAF CNc1nc(Nc2cc(C)c(-n3nnnc3C)cc2OC)ncc1C(F)(F)F 169704364 WIAUPCMEIMYKEL-UHFFFAOYSA-N 394.361 2.882 0 1 GFAF CCCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1 205246312 XKPHITFYRRNWMQ-UHFFFAOYSA-N 388.479 2.703 0 1 GFAF CCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccc(F)cc3)nn2)nc1C 1857556033 KTNIHAFWUURNBZ-UHFFFAOYSA-N 389.412 2.665 0 1 GFAF CCCCNC(=O)n1nc(-c2ccc(N)cc2)c2cc3c(cc2c1=O)OCO3 13487444 YXIZAJBTCOKIBB-UHFFFAOYSA-N 380.404 2.732 0 1 GFAF CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CC5)c4n3)cc2)CC1 13835451 REDXWYHSSILFOH-UHFFFAOYSA-N 376.464 2.622 0 1 GFAF O=C(Cc1cccs1)N[C@@H]1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 25199370 LZNGPUYDVMAURF-CZUORRHYSA-N 375.494 2.535 0 1 GFAF biogenic C[C@@]12C[C@H]3Cc4nc5cc(Cl)ccc5c(N)c4[C@@H](C1)[C@H]3N2S(C)(=O)=O 58565957 GIBJSDQKBFLJLP-CYRWYEDOSA-N 377.897 2.923 0 1 GFAF CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@@H]1N=C(c2ccccc2)O[C@@H]1c1ccccc1 72113064 JILWQKIRZCTRHN-KCLUMXDGSA-N 377.396 2.987 0 1 GFAF C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)NC(C)C)N(C(=O)C3CCC3)[C@H]2CO)cc1 95894907 KWZBXTRLWPNDOY-ABZWCGQKSA-N 399.535 2.883 0 1 GFAF COC(=O)C1=C2CC[C@]34CC[C@@H]5CN6C[C@@H](C)[C@H]7CC[C@]5(C)[C@](C1)([C@]76O)[C@]23O4 142867659 BJFLVMROQKHALJ-UQAUQSQVSA-N 385.504 2.628 0 1 GFAF Nc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n1 144693851 PXYCKQLKOIHKCS-MRXNPFEDSA-N 379.420 2.846 0 1 GFAF COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3cc(O)[n+](C)c(c13)C2=O 238771221 KXECXJVXBSGURE-UHFFFAOYSA-O 382.392 2.616 0 1 GFAF O=S(=O)(O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587087195 MURUZNOJIMRWKN-UHFFFAOYSA-N 388.012 2.679 0 1 GFAF O=S(=O)(Nc1ccccc1-c1nc2c(O)ncnc2[nH]1)c1ccc(F)cc1 587171122 ZGDNDCZSQCQTMN-UHFFFAOYSA-N 385.380 2.665 0 1 GFAF CCc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 587185972 QUIWKJIANKLVFZ-UHFFFAOYSA-N 396.188 2.673 0 1 GFAF COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441209 FKHFFIFPVLQKPN-IVZQSRNASA-N 398.411 2.918 0 1 GFAF COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C 587446808 GAYAMQLPPPGKSF-KTDSALEZSA-N 384.428 2.907 0 1 GFAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@H](F)C(=O)OCC)CC2=O 587464105 INQCAYSLDGEATI-APWZRJJASA-N 382.384 2.513 0 1 GFAF COc1cccc([C@@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807748 MATKNIZDJXWZGQ-XTZNXHDOSA-N 396.256 2.685 0 1 GFAF COC(=O)[C@@H]1OCC(C)(C)[C@]12NC1(CC1)Cc1ccc(Br)cc12 961327727 UKLCLVVCHOTEBA-KBXCAEBGSA-N 380.282 2.921 0 1 GFAF C[C@]1([C@H]2C(=O)c3cccc4c3N(CCC4)C2=O)NCCc2c(C(=O)O)cccc21 963125461 VANQIUWSTFWQSC-MBSDFSHPSA-N 390.439 2.538 0 1 GFAF COc1cc(N)c([C@@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(OC)c1 963219234 DGWNMCKAXHAGPN-AVRDEDQJSA-N 393.443 2.697 0 1 GFAF COc1ccc(-c2nnn(CC(=O)Nc3cc(C)nn3C3CCCCC3)n2)cc1 1857533834 OAHBELSQDGUQDO-UHFFFAOYSA-N 395.467 2.998 0 1 GFAF CCn1c(=O)cc(C2CC2)c2cc(-n3c(=O)nc(O)n3-c3ccccc3)ccc21 1857576477 FKVZIPAUFYAPDD-UHFFFAOYSA-N 388.427 2.941 0 1 GFAF N=c1ncc2cc(-c3c(Cl)cccc3Cl)c(N3C[C@H]4[C@H](N)[C@H]4C3)nc2[nH]1 1857579314 PLMWPEOFSCNRTJ-HBYGRHMLSA-N 387.274 2.804 0 1 GFAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C@@H](N)C=C4)C3)CC[C@H]1[C@](N)(CCO)C2 2356873803 YIZYHUILVYNDNY-BUQMKQRFSA-N 389.584 2.939 0 1 GFAF CN(C)S(=O)(=O)N1CCc2ccc(NC(=O)c3ccccc3Cl)cc2C1 12725694 PAKRCFJOLWJSIH-UHFFFAOYSA-N 393.896 2.757 0 3 GFAF C[C@@]1(C(=O)NCc2ccccc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61926417 BHGPBLGLANEFKT-QHCPKHFHSA-N 387.439 2.858 0 3 GFAF Cc1nnc(N2CCN(C(=O)NC(C)C)CC2)c2nn(-c3ccccc3)c(C)c12 6915900 IVUROTKSMQNDKS-UHFFFAOYSA-N 393.495 2.672 0 1 GFAF CCCC[C@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC 13864513 LNGARFTYFGQDHD-MRXNPFEDSA-N 383.485 2.763 0 1 GFAF CCNCC1(C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27423022 XCMSBTPBSCLKOX-UHFFFAOYSA-N 391.418 2.749 0 1 GFAF Cc1csc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 49035002 SJDBLIZTGQTKNC-IBGZPJMESA-N 396.516 2.893 0 1 GFAF COCCNc1nc(CN2CCCC[C@@H]2C(=O)OC)nc2ccc(Cl)cc12 55099124 VYIUPNWHEADZKP-MRXNPFEDSA-N 392.887 2.869 0 1 GFAF C[C@H]1C[C@@H]([C@@H]2CC[C@H]3[C@H]([C@@H]4[C@H](C)O[C@@H]5[C@H](C)C(=O)O[C@@H]54)CCCCN23)OC1=O 70454851 NSVYJHREGGWCHW-HTHWTJBFSA-N 391.508 2.536 0 1 GFAF biogenic,in-vitro CN(Cc1cn(C[C@H](O)COC(=O)C2CCCCC2)nn1)CC1CCCCC1 73197197 CLMFHXGDTKDLID-FQEVSTJZSA-N 392.544 2.775 0 1 GFAF COc1cc(C[C@H]2[C@H](Cc3ccc4c(c3)OCO4)CO[C@@H]2O)cc2c1OCO2 86001166 OESUUVYVASHNOY-WIEQDCTASA-N 386.400 2.519 0 1 GFAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 95793947 WLXKYRYHXSMASN-AZUAARDMSA-N 397.450 2.809 0 1 GFAF O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)Nc1ccc(-c2ccccc2)cc1 95887741 UTTUQCGEIXLGEI-CBPXPLCBSA-N 396.487 2.579 0 1 GFAF COc1ccccc1CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CC3)C[C@@H]21 95893291 VLIBVXHFXFJLET-TUNNFDKTSA-N 378.472 2.781 0 1 GFAF O=C(c1ccc(OCCF)nc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 96273566 IVSNCPPNDXXHRP-NHCUHLMSSA-N 398.478 2.853 0 1 GFAF COC(=O)C1=C[C@@H]2C3=C(NCCCN)c4cc(Cl)ccc4N(C)C3=N[C@H]2C=C1 103186508 YAZIZQJCEBXNHK-HOCLYGCPSA-N 398.894 2.505 0 1 GFAF CN(C)C1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144720668 ORSJZTVVMFUVAI-IBGZPJMESA-N 376.378 2.851 0 1 GFAF CCn1c(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)nc2ccccc21 147165843 HNSNQBPXQBNWAY-UHFFFAOYSA-N 388.431 2.792 0 1 GFAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(Cl)cn2)n1 150185658 IUFNMQYUMOYLRL-QGZVFWFLSA-N 383.839 2.834 0 1 GFAF CCOC(=O)[C@@H]1C(C(F)(F)F)=Nc2ncnn2[C@H]1c1cc(OC)ccc1OC 169690641 UDGNMZFZZALZLC-STQMWFEESA-N 398.341 2.712 0 1 GFAF Cc1cncc(C(=O)N[C@]23CCC[C@](NC(=O)c4cccc(F)c4)(CC2)C3)n1 169710852 JJSGQCLDNBSOPP-LEWJYISDSA-N 382.439 2.929 0 1 GFAF CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2ccccc2C(=O)NC)cc1 473108234 LIVCXRSDQOQURR-UHFFFAOYSA-N 393.491 2.880 0 1 GFAF O=C(CSCc1nc2c(O)ncnc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114709 XJJZWSOUMXCTLY-UHFFFAOYSA-N 383.355 2.949 0 1 GFAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 587201741 BXPCXZMQQSRSGU-AWEZNQCLSA-N 383.360 2.734 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3[nH]cc(C(=O)O)c(=O)c3c1)O2 587394548 HFPQAHNUEGBCED-OAQYLSRUSA-N 378.384 2.998 0 1 GFAF Nc1c(O)cccc1[C@@]1(C[C@@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587507923 DGRNNGJROLTAPJ-OPAMFIHVSA-N 396.443 2.516 0 1 GFAF CN1CCN(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587592682 IOEFRXSELHVQIJ-DENIHFKCSA-N 382.460 2.750 0 1 GFAF CC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963510152 OVTVLNRLIQEABU-FZMZJTMJSA-N 381.297 2.672 0 1 GFAF CC(C)(C)[C@@H]1c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963700796 GBRXTEVHIYLMQL-UFYCRDLUSA-N 396.487 2.887 0 1 GFAF CN1CCC[C@@H]1c1cccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 1772620762 DEUZGMJOCHUTND-DHIUTWEWSA-N 393.531 2.602 0 1 GFAF O=C1c2ccccc2C(=O)N1CCN[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 1772629105 LGJDXKGPQXTEED-SFHVURJKSA-N 399.441 2.815 0 1 GFAF COC(=O)Cc1ccc(NC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)cc1 1857575393 CGKGJQACJAQINK-YRNVUSSQSA-N 383.400 2.988 0 1 GFAF NNCCC[C@H](N)CNC(=O)C(CCc1ccccc1)CCc1ccccc1 1857606442 QCGRLDFYTIYARJ-QFIPXVFZSA-N 382.552 2.555 0 1 GFAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(Cc3ccccn3)CCN21 2356592763 JSKZMIYYOQMCIG-OAQYLSRUSA-N 393.535 2.572 0 1 GFAF Cc1cc(C)n([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NCc3ccc(Cl)c(Cl)c3)[C@@H]2O)n1 2356755906 CKHMMHGQRPANNG-FPSMNIFISA-N 398.290 2.622 0 1 GFAF O=C(Nc1cccnc1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 205207605 AWOWVVDVOTZTHV-UHFFFAOYSA-N 397.822 2.839 0 3 GFAF CN[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CO)CC(C)C 1692685 UHVSQRROPNCAHP-RBBKRZOGSA-N 384.520 2.919 0 1 GFAF O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NC[C@@H]1CCCO1 3063307 MPPQEMLEOIQCNA-AWEZNQCLSA-N 386.879 2.953 0 3 GFAF Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)cc1 4984990 WDMQRCDQEFLFDP-LJQANCHMSA-N 377.444 2.975 0 3 GFAF Cc1cc(=O)n2nc(N3CCC(C(=O)Nc4c(C)cccc4C)CC3)sc2n1 6807164 KDXVEQHHPXFWRO-UHFFFAOYSA-N 397.504 2.931 0 1 GFAF C[C@]12C[C@@H](NC(=O)N1c1cccc(C(=O)Nc3nc[nH]n3)c1)c1ccccc1O2 101617505 FYOMRAZYCXZZDD-QRWLVFNGSA-N 390.403 2.827 0 1 GFAF COCC(=O)N[C@@H]1[C@@H](c2ccccc2)N(CCCc2ccccc2)CC[C@@]1(C)O 2356289098 PLPVTHQDPLTIIS-WXFUMESZSA-N 396.531 2.948 0 1 GFAF COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@H]4C(C)=O)[C@@H](C2)N(C)CC[C@]315 103109803 KRWAWNXEYPCCLG-NQHMEXMFSA-N 383.488 2.729 0 1 GFAF Nc1nc(N)c2cc(CNC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2n1 25968707 ZCGHSWKMSXXABB-UHFFFAOYSA-N 376.247 2.960 0 1 GFAF CC(C)OC(=O)[C@H](C)NC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 72123350 JHMKFFLQDQYMOY-VIFPVBQESA-N 398.250 2.992 0 1 GFAF CC[C@@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(=O)O)(C3)C2)N1CCCC(F)(F)C1 137967860 BZGXRUGRHXHQKS-QJPAMCOCSA-N 384.467 2.892 0 1 GFAF CN1C(=N)N[C@@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)OCO3)C1=O 45245459 XEGBNTCEGJZIPQ-QFIPXVFZSA-N 386.411 2.717 0 1 GFAF O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25232552 PAZFIMAKGFMTMU-KGLIPLIRSA-N 378.457 2.626 0 1 GFAF biogenic COc1ccc(CN2C(=O)CSC[C@@]2(C)C(=O)NCc2ccccc2)cc1 95604576 BYWSXDYHKCVYRX-NRFANRHFSA-N 384.501 2.846 0 3 GFAF N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cncnc3)c2=O)c1 25411686 UBKAMDZHJLRGBY-MOPGFXCFSA-N 383.455 2.796 0 1 GFAF biogenic CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CC1 95895604 AARISULFZWERSM-BHIFYINESA-N 396.462 2.694 0 1 GFAF CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@@H](c1ccccc1)[C@H](OC(C)=O)C2=O 95554281 RVCPJJPKXPNUJX-LEWJYISDSA-N 398.367 2.785 0 1 GFAF COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(F)c(N)c2)c(OC)c1 96908649 WZSNLLBHWYKUPM-VOTSOKGWSA-N 382.413 2.846 0 1 GFAF Cc1nc(O)nc(S)c1C(=O)NC1[C@@H]2CCCC[C@@H]2N[C@H]2CCCC[C@@H]12 254136640 ABTZKNNKLUKWHH-MQYQWHSLSA-N 376.526 2.599 0 1 GFAF COc1ccc(-c2ccc3c(c2)SC[C@H]2[C@H](CNC(C)=O)OC(=O)N32)cn1 299870117 VWMGDZFFTBYATM-HOTGVXAUSA-N 385.445 2.693 0 1 GFAF COCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1 653873014 VVJXFSSMCAGOPV-KRWDZBQOSA-N 381.436 2.945 0 1 GFAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(CS(N)(=O)=O)cc4)nc3c2)cc1N 586930513 QVLRCGOSYVGRAY-UHFFFAOYSA-N 393.472 2.850 0 1 GFAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1csc(=N)[nH]1)CC2=O 587492188 BHOCIQCWQLCNDE-GOSISDBHSA-N 376.434 2.638 0 1 GFAF COc1cc2c3c(c1)O[C@H](c1cnc4cnc(Br)cn14)[C@@H](C2)C3=O 587417746 PSORMGJZHPJPLG-BTDLBPIBSA-N 386.205 2.989 0 1 GFAF CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587649834 CKEQGJHRPBUOEN-UHFFFAOYSA-N 396.465 2.773 0 1 GFAF C[C@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)c1ccc(NS(C)(=O)=O)c(F)c1 113489092 ASNQVMHBDVDGAL-NSHDSACASA-N 396.488 2.638 0 1 GFAF COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)C2CC2)C3)cc1CO 1772638799 LWNFKDOREGSWSW-UHFFFAOYSA-N 383.444 2.994 0 1 GFAF CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2C)C1=O 5797916 VTNGLMQBTUROSU-OXTHUFEASA-N 387.480 2.547 0 1 GFAF O=C(O)CCCCCCCCc1cn(CN2C(=O)c3ccccc3C2=O)nn1 15935259 KLIKRNNSQMTCNR-UHFFFAOYSA-N 384.436 2.890 0 3 GFAF NCC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 200373736 ABPCWONNNXXDCH-GOSISDBHSA-N 375.400 2.796 0 1 GFAF Cn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1ccc(O)cc1 10491797 IKELOIJZGAWBFW-UHFFFAOYSA-N 384.417 2.617 0 1 GFAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)cc(-c2ccccc2)c1 13807596 JXLHDKZZPKZBDM-SFHVURJKSA-N 376.416 2.978 0 1 GFAF N[C@@H](CO)C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 28827007 DZODXKMLRLHQBB-ZWKOTPCHSA-N 390.376 2.606 0 1 GFAF CCC(=O)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(=O)CC)[C@@H]23)OCO5 40410245 FHZQSULZQZRVBO-GUGJDKNPSA-N 399.443 2.670 0 1 GFAF COC(=O)[C@H](C(=O)OC/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1 64633843 IOZRSGUDLCETGJ-AHKGRUIUSA-N 388.441 2.567 0 1 GFAF in-vitro O=S1(=O)N(CC[C@@H]2CNCCO2)c2c(F)cccc2N1c1ccccc1F 72120619 MZTLLFJYLUUPPP-CYBMUJFWSA-N 395.431 2.546 0 1 GFAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCN(C)C)C3)co2)cc1 82069605 JTQURRUGLKFCBO-QGZVFWFLSA-N 385.464 2.607 0 1 GFAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C(C)(C)O)nc12 140956878 ISAAPUBECZHBGQ-UHFFFAOYSA-N 395.442 2.750 0 1 GFAF COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)cc1 169697327 PWWBERADPKIEDQ-UHFFFAOYSA-N 375.436 2.719 0 1 GFAF COC(=O)c1ccc([C@H](O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1 473155989 SBXGYTFHVHPQTC-HXUWFJFHSA-N 397.452 2.869 0 1 GFAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 586925807 KAJHGPPTNRHVGL-UHFFFAOYSA-N 390.392 2.619 0 1 GFAF CCOC(=O)c1[nH]cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591047 UGVMRLNNMNMUFL-AUUYWEPGSA-N 380.356 2.995 0 1 GFAF CCn1ncc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2N2CCOCC2)c1C 587650884 GRCBYAQZUHEKPI-UHFFFAOYSA-N 388.493 2.600 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(N)(=O)=O)cc2)N1 587843086 YKMCCFYKICEPKL-FVMDXXJSSA-N 399.285 2.859 0 1 GFAF Cc1cnc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cn1 963150696 RXUIMTSZFADNCI-QWHCGFSZSA-N 376.438 2.577 0 1 GFAF C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1nsc2ccccc12 1857561590 OORVHTBPNPKNTD-AWEZNQCLSA-N 393.468 2.852 0 1 GFAF COc1ccccc1C(=O)N1C[C@H](F)[C@H](OCc2nc3ccccc3n2C)C1 2356299094 WMMQFKDYNVRYCH-HNAYVOBHSA-N 383.423 2.961 0 1 GFAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H]2[C@H](CC[C@]2(O)C(C)C)[C@@H](C)C=C(CO)C1 2356415513 NLMJLXOEAUQIAO-ZCHQJCHRSA-N 380.525 2.987 0 1 GFAF CC(=O)c1ccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCCC2)cc1 2356859924 TZRSGXQWHYFBMK-SBHAEUEKSA-N 384.524 2.817 0 1 GFAF O=C(Nc1cccc(F)c1)NC1(C(=O)N2CCN3CCC[C@@H]3C2)CCCCC1 4981932 CDISWVAETGXUAI-GOSISDBHSA-N 388.487 2.957 0 3 GFAF CC[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)C(=O)N2)c1cccs1 6817301 PWEGFSWBJWARFZ-JQWIXIFHSA-N 393.490 2.704 0 3 GFAF CC(=O)c1ccc(N2C(=O)[C@@H]3CN(C(=O)Nc4ccccc4)CCN3C2=O)cc1 8295861 MSFABBVQCOABKS-SFHVURJKSA-N 392.415 2.574 0 1 GFAF biogenic CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(OC)cc2)=N1 27901357 CTPOLKCZOFPIBR-NVXWUHKLSA-N 390.395 2.652 0 1 GFAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NCCO)CC[C@H]4[C@H]3CC[C@@H]12 34801355 RYYSYRHPOPBMEU-NQKDLXDASA-N 376.541 2.575 0 1 GFAF CN(Cc1nc2cccc(C(=O)NCCCN)c2[nH]1)[C@H]1CCCc2cccnc21 45298624 FWLUMBYTIIJUCR-SFHVURJKSA-N 392.507 2.546 0 1 GFAF CN(CCc1ccccc1)Cc1cn(C[C@H](O)COCc2ccccc2)nn1 82153733 IHILLVCPJGLYCS-QFIPXVFZSA-N 380.492 2.530 0 1 GFAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCOc1ccccc1 82199890 WKHPUJNCZMOUTC-GGDAMLPASA-N 388.508 2.934 0 1 GFAF COc1ccc(-c2ccc([C@H]3C[C@@H]3NCC(=O)N3CCN(C)CC3)cc2)cc1 96172295 POFWVGANSQWTST-YADHBBJMSA-N 379.504 2.582 0 1 GFAF CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@@H]1C(=O)N(C)C(=O)[C@]12Cl 105502756 HJLALHCILCKSMC-DEPWHIHDSA-N 381.815 2.815 0 1 GFAF O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1CN1C(=O)c2ccccc2C1=O 224796708 LRPSJAPNXHWPGP-FHLIZLRMSA-N 398.459 2.555 0 1 GFAF O=C(c1ccnnc1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 299822170 MVAJUPUHFWLNRX-OAQYLSRUSA-N 390.830 2.943 0 1 GFAF N[C@H](CCc1ccc(CO)cc1)[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 299836148 MRXHFZNHXQEPNB-OALUTQOASA-N 391.404 2.610 0 1 GFAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c[nH]c(=N)[nH]c-3n1)N2 587030445 FHGLPEKJNAAQFK-LLIKBPFYSA-N 387.494 2.844 0 1 GFAF CN(Cc1nc2cncc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169270 AFSYTIMISXDTCJ-UHFFFAOYSA-N 399.245 2.680 0 1 GFAF N=c1nc2c(c[nH]1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578385 WQTLAVNOUCXFPB-DYESRHJHSA-N 375.384 2.788 0 1 GFAF Cn1cc(-c2cccc(Br)c2-n2c(O)cc(CC(=O)O)c2O)cn1 587937001 ZPJLUXUBHFUXIX-UHFFFAOYSA-N 392.209 2.679 0 1 GFAF COc1cc([C@H]2NCCc3c2c(C(C)C)nn3C)c(Cl)cc1OCC(=O)O 962912658 AIVXLZWSIKDCTF-LJQANCHMSA-N 393.871 2.904 0 1 GFAF COC(=O)c1n[nH]c(-n2cccc2[C@H]2c3c(F)cccc3C[C@@H]3CCCN32)n1 963101281 JTAYGNCIVBVQSI-GUYCJALGSA-N 381.411 2.631 0 1 GFAF Cc1c(O)ccc2c1[C@](C)(CC(=O)N[C@@H]1CCc3ccccc31)N[C@H](C(=O)O)C2 963548368 FIUYIRMDFCKSJA-STSQHVNTSA-N 394.471 2.709 0 1 GFAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccnnc3)c2)CC1 1772592376 OKEVQKOUXKTKQH-UHFFFAOYSA-N 395.507 2.856 0 1 GFAF Cc1cc(F)cc2c(O)nc(-c3ccc(C(=O)N4CCN(C)CC4)nc3)cc12 1772636157 UUJUREMRXOHERG-UHFFFAOYSA-N 380.423 2.838 0 1 GFAF CNC(=O)c1ccc2c(c1)CN(C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)C2 1911576240 FAUKBVJZKWAKEP-QGZVFWFLSA-N 392.286 2.765 0 1 GFAF CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccc(F)cc2)nn1 2356300657 OFNIOSJUZRLBFG-DUXKGJEZSA-N 399.514 2.787 0 1 GFAF O=C(O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1Cc1nc2cnccc2[nH]1 2356352510 VCPVZQKFBFFPAM-DLBZAZTESA-N 392.459 2.683 0 1 GFAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@]4(COC(C)=O)C(=O)OC 2356613572 QBHALCZZZWCCLV-GNRVTEMESA-N 394.471 2.787 0 1 GFAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O 6937458 DHXIUTOVMQVAMU-HZPDHXFCSA-N 395.507 2.647 0 1 GFAF CC(C)(C)c1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 28132935 OYDYYKTVDAGKPW-CGTJXYLNSA-N 384.432 2.595 0 1 GFAF CC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 5415406 SAYWOXRQVRVECT-HOTGVXAUSA-N 399.447 2.598 0 1 GFAF biogenic O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCC(Oc2ccccc2)CC1 40423159 HJBSESAYYXFMSA-UHFFFAOYSA-N 386.517 2.607 0 1 GFAF C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 238787769 YTKUUOVYXFLJGW-IFFCUEBNSA-N 378.465 2.897 0 1 GFAF COc1cccc(CN2[C@H](CO)[C@@H]3c4ccccc4N(C(=O)C4CC4)C[C@@H]32)c1 95894411 QKWKDIFTTSAZPL-BHDDXSALSA-N 378.472 2.781 0 1 GFAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 586930553 LSDSGQGZTCJYGY-KRWDZBQOSA-N 387.465 2.984 0 1 GFAF CCOC(=O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590270 SCFBTDNIADZADD-BEFAXECRSA-N 380.356 2.995 0 1 GFAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C)cc(F)c3[nH]2)c1 587231764 QANNHKASIVJXQR-UHFFFAOYSA-N 398.438 2.958 0 1 GFAF COc1cc2c3c(c1)O[C@](c1ccc(C(F)(F)F)cc1)(C(O)O)[C@@H](C2)C3=O 587420677 GPCSJEIUQIKWDI-UGSOOPFHSA-N 380.318 2.668 0 1 GFAF N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 15958252 BNPFRVJBHBPBCJ-LJQANCHMSA-N 391.471 2.683 0 1 GFAF biogenic Cc1ccc([C@@H](Nc2c(Nc3ccc[nH]c3=O)c(=O)c2=O)[C@@H]2CCCS2)o1 207395262 XETXTFIIXKTWPQ-UONOGXRCSA-N 385.445 2.665 0 1 GFAF CN1CCN(c2nccc3c2nc(-c2ccncc2)n3Cc2ccncc2)CC1 1857635305 DPTYFTIKTWQXBY-UHFFFAOYSA-N 385.475 2.688 0 1 GFAF CCN(CC)C(=O)Cn1c(-c2ccc(OC)c(OC)c2)nc2ccccc2c1=O 3018191 MBHHDGVQAIRTIL-UHFFFAOYSA-N 395.459 2.949 0 1 GFAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCC(C)(C)CO 4154305 UOBMMUOQEFNPBT-IEBWSBKVSA-N 386.448 2.905 0 1 GFAF CN1CCN(C(=O)CCCN2C(=O)c3ccccc3Sc3ncccc32)CC1 20512264 WTXQAIXBZUGDNF-UHFFFAOYSA-N 396.516 2.747 0 1 GFAF O=C1C=C2C[C@H](NCCc3c[nH]c4ccccc34)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 23352574 IWVPJLXKLFDSTF-QXUYBEEESA-N 377.488 2.921 0 1 GFAF CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 20355055 BYXBLUXTCZCXHL-GDBMZVCRSA-N 375.494 2.550 0 1 GFAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCC3CCCCC3)C[C@H](O)[C@H]2CO)n1 2356497301 JXBFJFLNIDUJBR-HAGHYFMRSA-N 375.557 2.844 0 1 GFAF C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C(=O)C(Br)=C[C@]35O)[C@@H]1CCC2=O 26286124 DLKVIAAYKCABCC-VKDWFEGMSA-N 381.266 2.522 0 1 GFAF COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2F)cc1 25709255 XTNUWCVIXMHRTM-SFHVURJKSA-N 392.452 2.935 0 1 GFAF C[C@@H]1C(=O)[C@@]23[C@@H]4C[C@H]5[C@]6(CCC[C@@]5(C)CO)CO[C@H](C[C@H]1[C@H]2OC(C)(C)O4)[C@@H]63 504623694 SPKBKHBTOCOHGF-LTXGTCIOSA-N 390.520 2.935 0 1 GFAF biogenic C[C@]12C[C@@H]3Cc4nc5cc(Cl)ccc5c(N)c4[C@@H](C1)[C@@H]3N2S(C)(=O)=O 36287154 GIBJSDQKBFLJLP-YYWYSJOQSA-N 377.897 2.923 0 1 GFAF CCOc1ccc(C(=O)NCCNC(=O)c2nn(-c3ccccc3)cc2C)cc1 49067396 BKQOJGQIHOPOAJ-UHFFFAOYSA-N 392.459 2.739 0 1 GFAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ncc[nH]c-2n1 587108346 JALWAMXEPJLGSG-NSHDSACASA-N 397.382 2.849 0 1 GFAF COc1ccc([C@@H]2Cc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 13450534 XBMWQRZMZDCXNK-RBBKRZOGSA-N 396.487 2.861 0 1 GFAF O=C(c1ccccc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 13782324 IAIMCUOEZFUZNY-UHFFFAOYSA-N 375.476 2.909 0 1 GFAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O 15943215 DMNBRBLWJWCGRV-HOTGVXAUSA-N 395.507 2.599 0 3 GFAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 769907 ZUXCDYLMILWGDG-MJGOQNOKSA-N 385.464 2.572 0 1 GFAF O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=O)C(=O)N(c2ccc(Cl)cc2)C1=O 1617453 PPJUJHOGDGQABC-ZDUSSCGKSA-N 377.183 2.691 0 1 GFAF COc1ccc(Br)cc1CNc1nc2nc(C)c(C)c(O)n2n1 100695412 WCCYUHORXWBNIQ-UHFFFAOYSA-N 378.230 2.830 0 1 GFAF O=C(O)c1ccccc1C(=O)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356289811 ABBHFUUTMDHUEN-CQSZACIVSA-N 384.363 2.895 0 1 GFAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@H](OC)[C@@]2(C)[C@H]1C 2356611184 NPOXQTDQWIYLML-SRDVZCPSSA-N 376.449 2.818 0 1 GFAF CN(CCSc1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 27181036 CIIXCWMTRDNACA-KRWDZBQOSA-N 384.501 2.992 0 1 GFAF C[C@H]1CN[C@H](C)CN1C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 64479713 FJOZYALHMAXCFN-BDAKNGLRSA-N 388.682 2.999 0 1 GFAF O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccccc1 72170883 FVCDUUDMBWUHSW-LJQANCHMSA-N 387.480 2.710 0 1 GFAF CNC(=O)N1CCC[C@@H]([C@H](C)Nc2nccc(-n3cnc4ccccc43)n2)C1 45320832 GUANBVMXZMYPLN-LSDHHAIUSA-N 379.468 2.667 0 1 GFAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CCCC[C@@H]1O 222400682 XPMXMSKJKVFHSA-APWZRJJASA-N 391.475 2.935 0 1 GFAF CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](C)CN2 82212026 FPYOPBIQFPLAQR-LLVKDONJSA-N 398.385 2.917 0 1 GFAF CCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1 45290729 JCHVSBJSIWAJIF-UHFFFAOYSA-N 393.432 2.997 0 1 GFAF O=C(Nc1ncc(S(=O)(=O)Cc2ccccc2F)s1)c1ccccn1 198913415 JOJWEJYXHBCEJT-UHFFFAOYSA-N 377.422 2.903 0 1 GFAF COCc1cn(C2=NCC(=O)N3CCc4c(OC(C)C)cccc4C3=C2)cn1 149225966 VXQMOZQQXGGBOS-UHFFFAOYSA-N 380.448 2.503 0 1 GFAF CC[C@H](CNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1ccccc1 618013979 GOECOLXFQMXWTH-ONFYXGJMSA-N 380.492 2.504 0 1 GFAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC(C)(C)O2 299885474 VOHRLHXXIJIXNU-LZLYRXPVSA-N 376.497 2.558 0 1 GFAF O=c1oc2ccccc2c(=O)n1-c1ccc(I)cc1F 299822539 RIINPPPETYOGBU-UHFFFAOYSA-N 383.116 2.688 0 1 GFAF COCC(=O)Nc1nc2cc(-c3cncc(F)c3)cc(-c3ncccn3)c2[nH]1 299829833 IBEIVALDWRHDSF-UHFFFAOYSA-N 378.367 2.806 0 1 GFAF O=C1N[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)Nc2ccccc21 587593398 JJHJISFAASTFQC-DZFGPLHGSA-N 388.379 2.904 0 1 GFAF CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426505 CWLAAQDSVBZTHF-ZHRRBRCNSA-N 398.386 3.000 0 1 GFAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc[nH]c(=N)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240285 RXUVEPNWVMKORF-YZIJFISFSA-N 387.484 2.925 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)C2CCOCC2)N1 587752604 DVBWRCWUKZZWHQ-QFYYESIMSA-N 385.277 2.706 0 1 GFAF COC(=O)CCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587755899 BKPNBLUYCBBYOQ-DYZYQPBXSA-N 396.260 2.971 0 1 GFAF COC(=O)c1cccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587127599 YYBCWBCSKQILER-UHFFFAOYSA-N 385.323 2.705 0 1 GFAF CCOC(=O)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587759089 KFAFMNDPVNDIAT-QGHHPUGFSA-N 396.260 2.971 0 1 GFAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1OCC(=O)NC(C)C 587221720 IZSGSPHFLUCLFD-UHFFFAOYSA-N 397.431 2.913 0 1 GFAF COC(=O)c1cccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1OC 963232580 OPSFCCXYKWZNDJ-RBUKOAKNSA-N 392.411 2.718 0 1 GFAF COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ncc[nH]2)CC1 11935873 SJCGBADGOHLVAZ-UHFFFAOYSA-N 380.452 2.704 0 3 GFAF COc1cc(/C=C/C(=O)NCCc2n[nH]c3ccccc23)cc(OC)c1OC 169348275 LCQRGRQVGOFNQK-CMDGGOBGSA-N 381.432 2.961 0 1 GFAF COc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O 1857536854 GLDGONWLOZOLJE-MRXNPFEDSA-N 383.416 2.861 0 1 GFAF C#CCN(Cc1ccc(C)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 140408008 QUGSCTIHJADWHO-JOCHJYFZSA-N 396.441 2.888 0 1 GFAF Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c2ccccc2n1 4057574 QBQHUVDMGOWVFY-YKLJGAPNSA-N 375.428 2.679 0 1 GFAF CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 58581467 DVIFVYZZPLRXHC-UHFFFAOYSA-N 378.480 2.510 0 1 GFAF O=C(COCc1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1 66122973 GUOCKTYMCJDPRB-UHFFFAOYSA-N 379.382 2.966 0 1 GFAF CCN(C(C)=O)c1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 25967411 YNNJXLYOYFRJBE-UHFFFAOYSA-N 391.475 2.898 0 1 GFAF NCCNCCCCNCC1CCN(C(=O)Cc2cccc3ccccc23)CC1 38167548 KWVXYIBQDQZSNC-UHFFFAOYSA-N 396.579 2.539 0 1 GFAF COc1cc2c3c(c1OCCCO)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72114564 CBJYQNJYXYDYHH-INIZCTEOSA-N 383.444 2.937 0 1 GFAF O=C(NC[C@H]1CC[C@H]2[C@H](CN2Cc2cccc(Cl)c2)O1)C1CCOCC1 95795555 ADMZPPQSXSBQCZ-QYZOEREBSA-N 378.900 2.615 0 1 GFAF C[C@H]1/C(=C/C(=O)N(C)CCO)CC[C@@H]2[C@H]1[C@@H](O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 238739312 TVMAIDIIHRPKGC-AMFKXAKHSA-N 393.568 2.594 0 1 GFAF N=c1[nH]ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 587064316 PQQCJSOXPAALDG-UHFFFAOYSA-N 381.823 2.932 0 1 GFAF COc1cccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599866 IJBJAIHBIBULMS-XMSQKQJNSA-N 394.379 2.569 0 1 GFAF CCOC(=O)c1[nH]c(O)nc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587788881 AMONDIZAWIBCQW-JMCQJSRRSA-N 398.232 2.817 0 1 GFAF COC(=O)c1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 586925088 FTYOXWKXLKAESV-UHFFFAOYSA-N 386.429 2.569 0 1 GFAF COC(=O)c1cc(Br)c2nc(-c3c(N)cncc3OC)[nH]c2c1 587252807 NNVIVMFNZKICRK-UHFFFAOYSA-N 377.198 2.765 0 1 GFAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(=N)N)cc2[nH]1 587183084 VFEKBCNORKHAEV-QMMMGPOBSA-N 394.220 2.566 0 1 GFAF CCOC(=O)Nc1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C 14974262 VKXFKGIWFNFVMK-UHFFFAOYSA-N 398.423 2.949 0 1 GFAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@H]3C[C@@H]4C[C@]3(CC[C@@]4(O)CO)[C@@]2(C)CC[C@H]1O 17129201 SSEWIUPYEWEJEH-DIBPGVCKSA-N 380.525 2.657 0 1 GFAF CN(C)CCOc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1 201717500 CQLFRGIYOHYSJV-UHFFFAOYSA-N 375.436 2.895 0 1 GFAF CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccccc1C 6350011 LVDJXZWWKPMJMR-UHFFFAOYSA-N 384.509 2.927 0 1 GFAF CCOC(=O)[C@@H](C(=S)Nc1ccccc1)c1nn2c(=O)cc(C)nc2s1 17259397 GVVIGULNRXKJEI-ZDUSSCGKSA-N 388.474 2.546 0 1 GFAF CN1c2ccccc2C(=O)[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O 17837819 UYZIILPQNFXDNO-HNNXBMFYSA-N 398.362 2.675 0 1 GFAF COc1cc(OC)c([C@@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc1OC 27518127 MDXPXKWMISRSKP-FQEVSTJZSA-N 385.420 2.842 0 1 GFAF Nc1nccc(-c2cc3cc4c(=O)cc[nH]c4n3c(NCc3ccccc3)n2)n1 28568495 FMNYESFNZXIFDL-UHFFFAOYSA-N 383.415 2.827 0 1 GFAF CC(C)c1cc(CNCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)on1 73275097 USQNPVLXAIUWBA-UHFFFAOYSA-N 390.915 2.999 0 1 GFAF O=C(/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1)NCCC1CCNCC1 84689527 RMKJKBCWXWSHSS-UHFFFAOYSA-N 391.475 2.727 0 1 GFAF O[C@H]1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)C1 96168696 HVILSGRVBCTAOP-KRWDZBQOSA-N 391.475 2.644 0 1 GFAF COc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3cccc(F)c3)c2c1 114344859 BFLHCYRERXMTKZ-QGZVFWFLSA-N 383.427 2.591 0 1 GFAF CS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)ccn12 222522893 ZKUVXTDMDZFHMH-UHFFFAOYSA-N 376.482 2.696 0 1 GFAF CC[C@H]1CN2CC[C@]3(Nc4ccccc4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 238734907 ZGFZEUQTWZGDLW-DQPDWTAKSA-N 384.476 2.857 0 1 GFAF CCO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 261097084 FORAGEDAUSZGSN-IRXDYDNUSA-N 398.442 2.605 0 1 GFAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C3=CNCN=C3)c2cn1)c1ccc(F)cc1 261186732 XREJKBNMPDHTLN-LLVKDONJSA-N 379.399 2.952 0 1 GFAF Cc1ccc2c(c1)[C@@]1(C(=O)N2)C2=C(COC2=O)Nc2[nH]nc(-c3ccccc3)c21 299867664 QNGKDHGVGBGCDZ-JOCHJYFZSA-N 384.395 2.860 0 1 GFAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Br)c(F)c3[nH]2)c1 587260092 NLKWFCYWERFKCJ-NSHDSACASA-N 377.217 2.806 0 1 GFAF COc1cc2c3c(c1)O[C@](CN1C(=O)CCC1=O)(c1ccccc1F)[C@@H](C2)C3=O 587426462 OAJKSLXYLXXQNT-OYHNWAKOSA-N 395.386 2.626 0 1 GFAF C[C@@]1(c2cn(Cc3ccccc3)nn2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229779 QAATYNRATZGMND-NFBKMPQASA-N 399.454 2.737 0 1 GFAF C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCC3)c2cn1)c1ccc(F)cc1 1772589269 CRHMJFNDNMUKGC-PIGZYNQJSA-N 384.415 2.551 0 1 GFAF NC[C@H]1CCNc2c(C(N)=O)c(-c3ccc(OCc4ccccc4)cc3)nn21 1772648167 QGPPKEHMIBCXNG-MRXNPFEDSA-N 377.448 2.543 0 1 GFAF Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)C2)cnn1-c1nc(O)c2sccc2n1 1857618349 QBNSKJSOLRLIFT-SECBINFHSA-N 397.382 2.915 0 1 GFAF Cc1ccc2nc(C[C@@H]3CN(S(=O)(=O)C(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 2356305965 WNRZZCICWXKXES-LSDHHAIUSA-N 393.509 2.565 0 1 GFAF CC(=C[C@H](O)CC(C)=CCCCC(=O)CO)CC[C@H](O)[C@]1(C)CCC(=O)O1 2356746470 YKUZFPGHZVFVLY-DYXWJJEUSA-N 382.497 2.599 0 1 GFAF CC1CCN(c2ccc3c(c2)S(=O)(=O)c2cc(C(=O)O)ccc2C3=O)CC1 61921102 JYXAMUXPSIOXKM-UHFFFAOYSA-N 385.441 2.998 0 3 GFAF Cn1c(C(=O)O[C@H](C(=O)NC[C@H]2CCCO2)c2cccnc2)cc2sccc21 4924030 WEKVSVGTEWJQEU-KDOFPFPSSA-N 399.472 2.828 0 3 GFAF COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)C(C)(C)C)C1)N2 28529363 KLUVDKRQHGIFCK-NRFANRHFSA-N 398.463 2.822 0 1 GFAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356620653 ALNTVPYKQVRMDS-PWRODBHTSA-N 399.535 2.915 0 1 GFAF COc1ccc([C@@H]2N=C(N)N=C(NCCCOc3ccc(Cl)cc3)N2)cc1 71282325 LQOYCOHJTSOTFW-QGZVFWFLSA-N 387.871 2.680 0 1 GFAF O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(-c2ccccn2)cc1 217122861 XUYADUJNHAMDAK-QFIPXVFZSA-N 387.483 2.898 0 1 GFAF O=C(C[C@H](O)C(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1 71329349 UMVPUMMSCIDRSJ-NSHDSACASA-N 375.372 2.817 0 1 GFAF Cc1cccc(C)c1NC(=O)[C@@H](c1ccncc1)N1CCN(CCN(C)C)CC1 199245557 RLUAXZNXIOLWCU-JOCHJYFZSA-N 395.551 2.557 0 3 GFAF CC(C)NC(=O)N1CC[C@H]2[C@@H]1c1cc(Br)ccc1N(C)[C@H]2CO 95878602 ROLSNKBZZJBICT-UHOFOFEASA-N 382.302 2.741 0 1 GFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCNCC4)c(F)c1)[C@@H](C2)C3=O 587425587 FKQQUZLHTDUWDK-AOMKIAJQSA-N 382.435 2.907 0 1 GFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(N)=O)(c1ccc(Br)cc1)O2 587373333 UEUURONOUCZZAZ-KRWDZBQOSA-N 375.222 2.686 0 1 GFAF COc1cc2c3c(c1)O[C@](C)(c1cn(CC(N)=O)c4ccccc14)[C@@H](C2)C3=O 587430369 HEAYGVUIXITLQP-NYHFZMIOSA-N 376.412 2.798 0 1 GFAF Cc1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1C 587179844 AMSMGZFKPLSTCL-UHFFFAOYSA-N 396.188 2.883 0 1 GFAF CCCS(=O)(=O)N1CCC(c2nc3ccc(CC(=O)OCC)cc3[nH]2)CC1 586951932 BXRPBJNSNCDDPQ-UHFFFAOYSA-N 393.509 2.588 0 1 GFAF CCOc1cc(-n2c(OC)cc(CC(=O)OC)c2OC)c(Cl)cc1C(=O)O 587942012 TUVXTIFHILZNEN-UHFFFAOYSA-N 397.811 2.960 0 1 GFAF CCOC(=O)CC[C@]1(c2ccc(OC)cc2OC)c2c(cnn2C)CCN1C 963956053 UMZRAFVFBOSCIF-NRFANRHFSA-N 387.480 2.512 0 1 GFAF Cc1cnc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)cn1 12373436 OXPWMYMPIJLDRS-MRXNPFEDSA-N 386.883 2.536 0 3 GFAF COc1ccc(SCc2noc(C(=O)NC[C@@H]3CCCO3)c2C(=O)O)cc1 13478165 SWZDQHPOSSNMOB-LBPRGKRZSA-N 392.433 2.583 0 3 GFAF CCC[C@@H]1Oc2ccc(-c3c(N)nc(N)nc3CC)cc2N(CCCOC)C1=O 14966281 JALXBSVUYLBHDF-KRWDZBQOSA-N 399.495 2.801 0 1 GFAF COc1cncc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-n2nccn2)c1 166602150 AFLPVDYCVMAMQP-KRWDZBQOSA-N 393.447 2.933 0 1 GFAF CC(C)c1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)cc1 1857557304 PGJRCIWQZMIYIZ-RLZMAHOWSA-N 384.472 2.585 0 1 GFAF CCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1ccccc1)CC2 1857615285 APZKPWZKSRVOPA-UHFFFAOYSA-N 375.472 2.637 0 1 GFAF COc1ccc(OC[C@H](C)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 206982767 BKHZTSXNFSOLCO-KRWDZBQOSA-N 384.476 2.929 0 1 GFAF C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 5530038 QJPCKAJTLHDNCS-KQDSFGJDSA-N 390.520 2.719 0 1 GFAF COc1ccc(-c2cnnc(N3CCC[C@@H](C(=O)c4nccn4C)C3)n2)cc1F 12314732 DDBSZMAKQOHHRT-CQSZACIVSA-N 396.426 2.519 0 1 GFAF Cn1cc(C2=C(c3cn(C)c4ccc(C(=O)O)cc34)C(=O)NC2=O)c2ccccc21 13447765 YRACVNWIANQLSI-UHFFFAOYSA-N 399.406 2.935 0 1 GFAF COc1cc2nc3c(c(N)c2cc1OC)CC[C@@H](CNC(=O)c1ccco1)C3 27550453 SGZPGIWGYCHZFH-GFCCVEGCSA-N 381.432 2.962 0 1 GFAF COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccn3)n2)cn1 35425432 OSIHIEKCYUXTSY-KRWDZBQOSA-N 381.436 2.889 0 1 GFAF biogenic C[C@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95662533 FKVAGPIVUGMOCL-GUYCJALGSA-N 377.485 2.534 0 1 GFAF O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccc(F)c1 95894040 RXRQVEZQDJTXHR-SLFFLAALSA-N 380.419 2.551 0 1 GFAF O=S(=O)(C1CC1)N(c1ccncc1Nc1ccccc1)S(=O)(=O)C1CC1 103266637 YPUKGRYHGPSOGX-UHFFFAOYSA-N 393.490 2.616 0 1 GFAF CC(=O)Nc1cc(-n2cncn2)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)c1 145727843 SNLLYXLGKDBMCU-UHFFFAOYSA-N 398.430 2.965 0 1 GFAF C[C@@H](Oc1cc(I)cc2ncccc12)[C@H]1CNC(=O)C1 146186563 MJNRJLOLBGQEAR-NXEZZACHSA-N 382.201 2.743 0 1 GFAF CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@H](N3CCC[C@@H]3C)C2)cc1 261089830 DHUOTSJELWOUBC-ORYQWCPZSA-N 384.524 2.699 0 1 GFAF CCOC(=O)Cc1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 586953332 SFCKBADUPNIUSL-UHFFFAOYSA-N 393.509 2.667 0 1 GFAF COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(Cl)c1O 587046152 LHESCNGGIBYHFW-UHFFFAOYSA-N 381.841 2.848 0 1 GFAF CC(=O)O[C@H](C[C@]1(C)[C@H](C)CC=C2[C@@H]1CCCC2(C)C)[C@@]1(O)COC(=O)[C@H]1O 2356570642 QCPWZRPDZHMSDZ-HZJQHHOASA-N 394.508 2.756 0 1 GFAF O=C(c1nnc2n1CCN(Cc1ccc(Cl)c(F)c1)C2)N1CCCCC1 205221588 OAXNWKQCMWFPHD-UHFFFAOYSA-N 377.851 2.713 0 3 GFAF C[C@@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 3591368 PNJPCIYMKXINDN-CQSZACIVSA-N 393.418 2.863 0 1 GFAF COc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1cccnc1 4127584 UUMOMJJBWIADAQ-JSJNYSNDSA-N 377.444 2.783 0 1 GFAF CCN(CC)C[C@@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 19365441 CNAPNWNCRWDJDE-MSOLQXFVSA-N 386.540 2.947 0 1 GFAF CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N21 26960767 BMEMIDCWPDBZLO-LNLFQRSKSA-N 383.492 2.932 0 1 GFAF CN1CCN(CCOc2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 28130918 XMBIRQZODISMFK-UHFFFAOYSA-N 399.516 2.505 0 1 GFAF CN(C)P1(N(C)C)=NP(N(C)C)(N(C)C)=NP(N2CC2)(N2CC2)=N1 28762821 XVPFFQVWQMBEBL-UHFFFAOYSA-N 395.373 2.716 0 1 GFAF COc1cccc(CN2[C@@H]3CN(C(=O)C4CC4)c4ccccc4[C@@H]3[C@@H]2CO)c1 95894410 QKWKDIFTTSAZPL-FSSWDIPSSA-N 378.472 2.781 0 1 GFAF CC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)C1CC1 95895047 JPCTYBULYRPUFB-FKBYEOEOSA-N 378.472 2.555 0 1 GFAF CN(C(=O)N[C@H]1CC[C@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 101143004 UKTYHCYZFWBGRW-HDICACEKSA-N 393.553 2.778 0 1 GFAF Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nn(C)c2=O)c(C)n1 218501167 YLUIXFKMHUSCIE-MSOLQXFVSA-N 391.475 2.982 0 1 GFAF NC1=N[C@@](c2cc[n+]([O-])cc2)(c2cccc(-c3cncnc3)c2)c2cccc(F)c21 299854259 WWDAOWSUJIRCSX-QHCPKHFHSA-N 397.413 2.927 0 1 GFAF CN(C)S(=O)(=O)c1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587035806 UADSYABKCYAWMT-CYBMUJFWSA-N 377.491 2.731 0 1 GFAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069910 MHKSOQOQTMKTBR-CYBMUJFWSA-N 392.912 2.752 0 1 GFAF CC(=O)OCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587579200 CLRWCLWSBUOOHN-GHTZIAJQSA-N 394.383 2.855 0 1 GFAF COC1=CN(C)C(C(=O)O)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587761420 UFYQWEREPTUIMZ-VVVCHXIZSA-N 397.244 2.719 0 1 GFAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nnnn3c2)N1 587792431 HOQXBTGZCJOIJC-XXFAHNHDSA-N 376.233 2.824 0 1 GFAF C=CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 621485673 FFRIMZJDTZJTIX-UHFFFAOYSA-N 378.372 2.709 0 1 GFAF COc1c(C)cc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)c(C)c1C 653905773 VQAVSMCVDDOTTK-QGZVFWFLSA-N 377.510 2.918 0 1 GFAF Cc1c(O)ccc2c1[C@@H](c1ccccc1N1CCO[C@H](C)C1)N[C@H](C(=O)O)C2 963490637 LJSHHTLUVIGZAB-GQNMWPQZSA-N 382.460 2.614 0 1 GFAF CCOC(=O)[C@]1(c2cnc3ccccn23)N[C@H](C)Cc2c(OC)ccc(OC)c21 963639493 VIBQFQPCBGYLNZ-JLCFBVMHSA-N 395.459 2.692 0 1 GFAF N=c1nc(-c2ccc(-n3cnnn3)cc2)cc(-c2ccc(Br)cc2)[nH]1 1857550266 GWPZOCHXIOAMNA-UHFFFAOYSA-N 394.236 2.961 0 1 GFAF COc1ccc(-n2cc(COc3ccc(/C=C/C(=O)O)cc3OC)nn2)cc1 1911576746 HUFFCCVXIBZSJE-ONNFQVAWSA-N 381.388 2.961 0 1 GFAF N[C@@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3CCCC[C@H]12 1911582438 KOGGTXFYSVISQZ-IAGOWNOFSA-N 385.439 2.806 0 1 GFAF CCOc1cc2c(cc1O)CCN1C=c3c(OCC)c(OCC)ccc3=C[C]21 2356836611 YTDPALJMFGBIJQ-UHFFFAOYSA-N 380.464 2.559 0 1 GFAF C[C@H](NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1)c1ccccc1 3045959 LELLYPYQJLNWHJ-KRWDZBQOSA-N 393.553 2.697 0 3 GFAF CCOC(=O)C1(C[C@H]2CCCCO2)CCN(S(=O)(=O)c2ccccc2)CC1 11759767 KPQWVSNOZMHKEV-QGZVFWFLSA-N 395.521 2.980 0 3 GFAF Cc1ccc([C@@H]2CC(=O)C[C@H](c3ccc(C)cc3)C23C(=O)NC(=O)NC3=O)cc1 1860519 RBIQWIHZDUHBLC-KDURUIRLSA-N 390.439 2.886 0 1 GFAF COc1cc(O)cc([C@H]2OC[C@H](C(=O)c3ccc(OC)c(OC)c3)[C@@H]2CO)c1 29125609 KTIPQHCMSXAIBC-XGHQBKJUSA-N 388.416 2.597 0 1 GFAF biogenic,in-vitro Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2 58581985 JAWGTZDKZCZPKP-UHFFFAOYSA-N 380.492 2.780 0 1 GFAF CCCCN(CCCC)Cc1cn(C[C@H](O)COC(=O)c2ccccc2)nn1 73197306 WXOMIAOHFRJWHR-FQEVSTJZSA-N 388.512 2.898 0 1 GFAF CNC[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C 95661515 VMUIUYUBOUUZSN-JLHGSKIFSA-N 382.504 2.931 0 1 GFAF CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)CCCC(=O)O)c3ccccc23)S1 169319794 WSCZWFKCUPORQB-GTNSWQLSSA-N 387.461 2.857 0 1 GFAF CC1=NC(C(=O)O)=C(C(=O)O)[C@H](c2ccccc2Cl)[C@@H]1C(=O)OC(C)C 169717752 KJBHUDXNQBUFOA-CHWSQXEVSA-N 379.796 2.889 0 1 GFAF O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(-c2cccnc2)c1 217119358 HXOLKDWHFJHQCU-HSZRJFAPSA-N 387.483 2.898 0 1 GFAF CCN1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CC1 221104581 ACOCSXHBOGOIMV-UHFFFAOYSA-N 388.479 2.562 0 1 GFAF COc1ccccc1COC(=O)Cc1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 377814356 URIDXTYDYRBATN-UHFFFAOYSA-N 399.814 2.678 0 1 GFAF COc1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cc1OC 586942005 ZGZVJKOAUOLCGC-HJWRWDBZSA-N 387.461 2.979 0 1 GFAF O=S(=O)(NCc1nc2cc(F)cc(F)c2[nH]1)c1ccc(F)c(F)c1F 587134341 OEMKZAOZIAYBJW-UHFFFAOYSA-N 377.294 2.737 0 1 GFAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 587203789 UIMQCKINDNNCOP-CQSZACIVSA-N 383.360 2.703 0 1 GFAF O=C(O)[C@@H]1NC[C@@H]2C[C@]3(C[C@@H]21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587346766 NCMZUMXGPUMOQW-UGBODIRBSA-N 397.402 2.712 0 1 GFAF C[C@]1(n2cc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)cn2)CCS(=O)(=O)C1 963097829 NRYCYMIAHBFOKC-HOJAQTOUSA-N 389.496 2.666 0 1 GFAF CN1CCc2cnn(C)c2[C@@]12C(=O)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1 963955271 OVLSFTAPJMLKND-VXKWHMMOSA-N 391.427 2.531 0 1 GFAF CCCc1occ([C@H]2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC(C)=O 2356284253 UEZDCNZHCFKKLD-GOSISDBHSA-N 388.372 2.795 0 1 GFAF CC1(C)OC[C@](CO)([C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@@H]3CC[C@@H](O)[C@]4(C)CO)C2)O1 2356408832 QQACSPRYRQAXGF-VGYLXGSLSA-N 380.525 2.633 0 1 GFAF OC[C@H]1[C@H](Cc2ccnc(-c3cccnc3)n2)[C@H](NCC2CCCCC2)C[C@H]1O 2356462209 JXUBJTNCLGIIGI-FNAHDJPLSA-N 396.535 2.609 0 1 GFAF COc1ccc(N2C(=O)c3ccccc3N/C2=C\C2=c3ccccc3=NC2=O)cc1 12467689 FEZPPYVSLICCRL-HYARGMPZSA-N 395.418 2.620 0 3 GFAF CCN1C(SCC(=O)Nc2cc(C)on2)=NN/C1=C1\C=Nc2ccccc21 103918299 LIKBHINWHPCSDS-LGMDPLHJSA-N 382.449 2.936 0 3 GFAF CN1C(=N)N[C@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)CCO3)C1=O 38215319 VACMQJOAIDVTHB-HSZRJFAPSA-N 384.439 2.923 0 1 GFAF COc1ccc(CCNC(=O)c2c(C)n(O)c3cc(C)c(C)cc3[n+]2=O)cc1 49069988 KIGKTWFMMWYOFG-UHFFFAOYSA-O 382.440 2.699 0 1 GFAF CC[C@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 82140900 PKHZZPQCBZZQHS-ZFWWWQNUSA-N 399.470 2.513 0 1 GFAF COc1ccc(-c2csc(NCC(=O)NC[C@@H]3CCCO3)n2)c(OC)c1 82193653 VXLJRTZRRFXGKW-ZDUSSCGKSA-N 377.466 2.534 0 1 GFAF CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc21 95581801 VFYUYYULAFJWBR-XFFZJAGNSA-N 379.821 2.630 0 1 GFAF O=C(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 95794434 CYPXXYZANQUULC-IRLDBZIGSA-N 390.483 2.668 0 1 GFAF CCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cn[nH]c1 96270044 YZTLHDUNASRPOV-UHFFFAOYSA-N 383.433 2.666 0 1 GFAF COC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 147610765 VJUBLIXVVNAHIX-CALCHBBNSA-N 389.496 2.842 0 1 GFAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587040304 MWTYWZJPQMYPRO-ZDUSSCGKSA-N 383.495 2.949 0 1 GFAF O=C(N[C@H](Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)O)OCc1ccccc1 587202685 KMGGSSUUAGKVAZ-OAHLLOKOSA-N 375.331 2.763 0 1 GFAF NC(=O)c1cccc(C[C@H](N)c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587260499 ZJSGHFAYRLEOPQ-JTQLQIEISA-N 394.660 2.715 0 1 GFAF COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 587517695 SFMGIMUUEAVDSL-QFIPXVFZSA-N 396.443 2.600 0 1 GFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C(O)O 587570078 KAEJFOANUOLKHY-UWJYYQICSA-N 382.343 2.699 0 1 GFAF O=C([C@H]1CCc2nncn2C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661573 QRVGZRMXMLFWPX-AWEZNQCLSA-N 389.390 2.697 0 1 GFAF O=C(C[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21)c1nccs1 962911078 YHOGMZWANVDGKR-ZUZCIYMTSA-N 388.342 2.912 0 1 GFAF COc1ccc(-n2cc([C@]3(C)NCCc4ccc(C(=O)N(C)C)cc43)cn2)cc1 962922647 FQIOCHFBENLDFQ-QHCPKHFHSA-N 390.487 2.992 0 1 GFAF COc1ccc(Cl)c2c1CCN[C@]21c2cccnc2S[C@]12CCOC2=O 963270666 QLHVCLNPMHFVOQ-RBUKOAKNSA-N 388.876 2.924 0 1 GFAF O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CCC[C@H](CO)C1 1772587070 JRLVGAQOIOCAIX-ZDUSSCGKSA-N 375.432 2.951 0 1 GFAF N=c1[nH]c(C(=O)Nc2cc(-c3cnn([C@@H]4CCCNC4)c3)ccc2Cl)co1 1857535195 NGNDVPWJZBCPIC-CYBMUJFWSA-N 386.843 2.781 0 1 GFAF NCc1cc(Oc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)ncn1 1857542660 JMUJIKUAVXHCCZ-UHFFFAOYSA-N 389.459 2.690 0 1 GFAF C[C@@H]1N[C@H](CC[C@H](O)CCCC2(CC[C@H](O)CC(=O)O)CCCC2)CC[C@H]1O 2356445121 VQRDMKWFWNHFIY-MFKWGIFDSA-N 399.572 2.975 0 1 GFAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC(=O)[C@H](C)[C@@]21CC[C@](C)(CCO)O1 2356481080 CBDKPIJNECSIQI-JVVWVHRUSA-N 396.524 2.632 0 1 GFAF COC(=O)[C@H](Cc1ccc(OC)c(OC)c1)NC(=O)C=Cc1ccc(OC)cc1 2356625254 FXMITKCQEXIIPZ-SFHVURJKSA-N 399.443 2.626 0 1 GFAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C@@H](N)C=C4)C3)CC[C@H]1[C@@](N)(CCO)C2 2356873805 YIZYHUILVYNDNY-LGHPZOBBSA-N 389.584 2.939 0 1 GFAF Cc1nc2ccc(S(=O)(=O)NCC(=O)NCc3ccccc3C)cc2s1 201452183 UEQJNUYQLGDCOP-UHFFFAOYSA-N 389.502 2.508 0 3 GFAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(Cl)cc1 2356298094 UDEYGQNMOXDLQC-BQFCYCMXSA-N 399.988 2.671 0 1 GFAF CNc1nc(C)c2cc(C(=O)Nc3ccccn3)c(=O)n(C3CCCC3)c2n1 116016120 SPZLNUYSXWJTDI-UHFFFAOYSA-N 378.436 2.904 0 1 GFAF CC(=O)O[C@H](C[C@]1(C)[C@H](C)CC=C2[C@@H]1CCCC2(C)C)[C@@]1(O)COC(=O)[C@@H]1O 2356570643 QCPWZRPDZHMSDZ-UGUNWLOPSA-N 394.508 2.756 0 1 GFAF Cc1ccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1 117365331 BIQGCSULLOYSIK-UHFFFAOYSA-N 377.488 2.962 0 1 GFAF COc1cc2c(cc1OC)[C@H](c1cc3c(cc1O)OCO3)[C@@H](C)[C@](C)(O)C2=O 2356655893 OZRMWBSRSFROHU-JUYVAMCWSA-N 386.400 2.853 0 1 GFAF Oc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@H](c3c(O)cc(O)cc3O)[C@@H]2O)cc1 14648793 WXKJGQBCHMDAPE-ACRUOGEOSA-N 398.367 2.547 0 1 GFAF biogenic COc1cc2c(c3oc(C)cc(=O)c13)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 15263888 HIHYKIOZPNTJQD-MOPGFXCFSA-N 390.388 2.817 0 1 GFAF biogenic CC[C@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccccc2)n1 82133457 JEENYEVTQOJDHE-HNNXBMFYSA-N 381.480 2.658 0 1 GFAF CC(C)COc1cccc(/C=C2\SC(=O)NC2=O)c1N1CCC[C@@H](N)C1 84669889 FBEUTZRQCSCWQM-SLVCOGOPSA-N 375.494 2.973 0 1 GFAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccccn3)cc21 95560463 WFQYNLUPNZYOHZ-OAHLLOKOSA-N 382.416 2.911 0 1 GFAF CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1OC 95794435 KCKOBOCEMLFEQB-DENIHFKCSA-N 380.488 2.647 0 1 GFAF O=S(=O)(NCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(F)c(F)c1F 587134300 LTLOUTLKRPOOBH-UHFFFAOYSA-N 394.737 2.646 0 1 GFAF COc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809598 RCPDMLJKLZZMGA-MLCYQJTMSA-N 396.256 2.685 0 1 GFAF Cc1ccnc2c1CCN[C@]2(C)c1cccc(Br)c1S(C)(=O)=O 963065317 CZOJZUXODBPLPF-QGZVFWFLSA-N 395.322 2.965 0 1 GFAF CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)CNC2CCCCC2)c1 1772570827 KZJKTDHDRFRRBI-SFHVURJKSA-N 393.484 2.763 0 1 GFAF CC1=C(C(=O)N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)OCCO1 12463449 KUZGJCZVAJNODG-INIZCTEOSA-N 375.375 2.922 0 3 GFAF COc1cc2c(cc1OC)CN1[C@@H](C(=O)O)Cc3cc4c(cc3[C@H]1C2)OCO4 1857568440 VIZBTLYHJHIQTH-HZPDHXFCSA-N 383.400 2.541 0 1 GFAF CCOC(=O)C[C@@H]1CCc2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc2C1=O 3982107 OHMTXUSDWJYTHD-INIZCTEOSA-N 393.443 2.921 0 1 GFAF CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccccc1C(F)(F)F 8619043 WBXRTEAXFKELMT-UHFFFAOYSA-N 396.365 2.898 0 1 GFAF COc1ccccc1OC[C@H](O)CN1CCC(NC(=O)Nc2ccccc2)CC1 27984192 RBICHOPENORJGW-LJQANCHMSA-N 399.491 2.721 0 1 GFAF Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2CCCCOCC(=O)O)cc1 28228523 HPRUBGKGKZLTLW-BBWFWOEESA-N 387.473 2.662 0 1 GFAF O=C(CSc1nc2c(c(=O)[nH]1)[C@H]1CCCC[C@H]1S2)NCc1ccco1 45356812 XJRPOETWODPJGX-NWDGAFQWSA-N 377.491 2.903 0 1 GFAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(C)c3)c2)n1 71788633 GEOLYTBVQMMIAY-GOSISDBHSA-N 379.464 2.984 0 1 GFAF Cc1cccc(Nc2nc(N[C@@H]3CCC(F)(F)C[C@@H]3N)ncc2C(N)=O)c1 72139704 PXDLCDJCBFEYEN-UONOGXRCSA-N 376.411 2.555 0 1 GFAF COC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)N(C)C)CCCC1 73196464 RMGAZHPEQFUQOS-UHFFFAOYSA-N 378.494 2.588 0 1 GFAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCOc1ccccc1 82199893 WKHPUJNCZMOUTC-XVWYUNOYSA-N 388.508 2.934 0 1 GFAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C(C)C)N2 82206510 XUYGJIQWLLQLGO-QGZVFWFLSA-N 385.512 2.752 0 1 GFAF CCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cccc(-c2nnn[nH]2)c1 84655401 QCQLPXPTQFNNST-UHFFFAOYSA-N 379.420 2.971 0 1 GFAF c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCC2(C1)OCCO2 103298408 JCEJVDIGZOTIPS-UHFFFAOYSA-N 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386.496 2.595 0 1 GFAF CC(C)CCCCCCCCC=CC[C@H](OS(=O)(=O)O)[C@H](O)[C@H](N)CO 2356440414 AMKJRXWVNVNVKO-FGTMMUONSA-N 395.562 2.578 0 1 GFAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@H](C)[C@@]23C[C@@H](COC)C(C(=O)O)=C3C1 2356862237 UXZZATXVUFODKU-DZFIUHNSSA-N 375.513 2.706 0 1 GFAF COc1ccc2c(O)c(Cc3c(O)c4ccc(OC)cc4oc3=O)c(=O)oc2c1 6424491 SLXBPCDYEKFISP-UHFFFAOYSA-N 396.351 2.919 0 1 GFAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3c(F)cc(F)cc3nc2-1 26389888 MQCSQJFJJLSWSB-OAQYLSRUSA-N 398.365 2.748 0 1 GFAF CC1=C(C(=O)O)[C@H](c2ccc(OCCn3ccc4cccnc43)cc2)NC(=O)N1 28706702 ARNSDDHVNJIHDL-SFHVURJKSA-N 392.415 2.828 0 1 GFAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccn(C)c3c2)c1 114078372 MHLALIQKGDASOX-UHFFFAOYSA-N 388.475 2.947 0 1 GFAF COC[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1 117868816 LHJVYPGFMRAXGK-OAHLLOKOSA-N 397.504 2.755 0 1 GFAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(OC[C@@H]2CCCO2)n1)C(=O)OC 150186511 HYMPXNQTRBUGCF-HNNXBMFYSA-N 390.480 2.978 0 1 GFAF 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376.347 2.739 0 1 GFAF Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)NCc3ccccc3N)co2)cc1 82070471 WHCASSAMTMGOFO-CQSZACIVSA-N 378.432 2.667 0 1 GFAF CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCc2ccccc2C1 95570565 IKMZHCPEAGYFNM-SFHVURJKSA-N 377.448 2.943 0 3 GFAF Cc1cc(O)c2c(=O)c(OS(=O)(=O)O)c(-c3ccc(C)c(O)c3)oc2c1 238766643 HATGBNIMPWNQFS-UHFFFAOYSA-N 378.358 2.670 0 1 GFAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCC3)nc12 95586149 JGSSBMLRVYBMEM-UHFFFAOYSA-N 377.466 2.765 0 1 GFAF CCN1CCN(CCCn2nc(-c3ccc(OC)c(OC)c3)[nH]c2=S)CC1 96934120 BNLKXVNOXJTJJK-UHFFFAOYSA-N 391.541 2.652 0 1 GFAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@@]23O)ccc1O 257452425 JDOYVXXEQQTICM-LYARXQMPSA-N 388.416 2.608 0 1 GFAF endogenous,in-man NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1 473147537 FRYYMRSAZOXGSS-UHFFFAOYSA-N 381.409 2.930 0 1 GFAF CN1CCN(c2ccc(-c3cnc(N)c(-c4ccc(C(=O)O)cc4)n3)cc2)CC1 299819240 BFNGMSVLFMWNFD-UHFFFAOYSA-N 389.459 2.843 0 1 GFAF CCOCCOCc1nc2c(I)cnc(Cl)c2[nH]1 587779189 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2.898 0 1 GFAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)cc1OC 11773603 DUMAMNSFLZSVHE-INIZCTEOSA-N 383.448 2.846 0 3 GFAF COc1ccnc(C[S@](=O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1OC 13452087 MXZZKWGZKMQUPZ-HHHXNRCGSA-N 397.359 2.604 0 1 GFAF O=C(C1CC1)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1 1857591977 PDDZHEQPUNCIBB-UHFFFAOYSA-N 379.439 2.984 0 1 GFAF CC(C)c1cccc(C(C)C)c1OC(=O)C[C@H](NC(=S)[C@H](C)N)C(=O)O 1857745598 NLBNWGKWTYLTLO-WFASDCNBSA-N 380.510 2.946 0 1 GFAF CC[C@H](C(=O)N1CCN(C)CC1)n1nc(C)c2sc3ccccc3c2c1=O 20467010 DBXZSGYIMJCRHV-OAHLLOKOSA-N 384.505 2.645 0 1 GFAF Cc1cnc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nc1-c1cnn(C)c1 23153657 CXVNPSYBPUCIPQ-UHFFFAOYSA-N 389.463 2.670 0 1 GFAF C[C@@]12CCC[C@@](C)(C(=O)OCCO)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@H](O)[C@H]3CO 40391147 KRPRPRXYIZGBBS-FDSZRRAQSA-N 394.552 2.904 0 1 GFAF Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1 63540041 KHGPYYFCIAISBU-UHFFFAOYSA-N 388.229 2.559 0 1 GFAF COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N(C)CCO)n2)cc1 82065830 UUGFWJCAQDBQIU-UHFFFAOYSA-N 399.426 2.852 0 1 GFAF OCc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1CO 95862954 RSVADWBQBHUWNS-UHFFFAOYSA-N 376.210 2.826 0 1 GFAF CC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2C(=O)NC(C)C 100085684 CGDVQHLNPBSTCW-ZSHCYNCHSA-N 380.286 2.566 0 1 GFAF Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NC2CCOCC2)cn1 143261364 RBJYKFLLCXRSGC-UHFFFAOYSA-N 394.431 2.928 0 1 GFAF NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)s1 148622897 GHHIWTKGUAFFNW-UHFFFAOYSA-N 387.291 2.503 0 1 GFAF Cc1c(OC[C@H]2C[C@@H]2c2ccccn2)nc2ccnn2c1NCc1cnn(C)c1 148636549 QPOODTYGBPAMRF-SJORKVTESA-N 389.463 2.961 0 1 GFAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 218835116 UFMPQBXIACFWKA-SSDOTTSWSA-N 394.382 2.739 0 1 GFAF COc1cc2c(Nc3ccc(F)cc3)ncnc2cc1OC[C@@H]1CNCCO1 299825998 NZGWREUDYLPGPL-HNNXBMFYSA-N 384.411 2.888 0 1 GFAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(F)cnc4[nH]3)cccc12 586941016 BLWRZEQIMDXNHL-UHFFFAOYSA-N 399.451 2.795 0 1 GFAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587232255 VBHPXZGWXSRJLS-MNOVXSKESA-N 381.379 2.921 0 1 GFAF COc1cc2c3c(c1)O[C@@](c1ccncc1)([C@@H]1CCCN(C)C1=O)[C@@H](C2)C3=O 587445394 WIHBWLQAUSEPNN-JLHGSKIFSA-N 378.428 2.602 0 1 GFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C(O)O)N1 587731334 LJTDCUNMCYFJBG-XLFHBGCDSA-N 384.220 2.816 0 1 GFAF COC1=CN(C)C(C(=O)O)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587761422 UFYQWEREPTUIMZ-XYZCENFISA-N 397.244 2.719 0 1 GFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2c1cnn2C 587870092 VXUWANBGJBGUDE-UHFFFAOYSA-N 375.314 2.638 0 1 GFAF Nn1c(S)nnc1Cn1c(=O)cc(-c2ccccc2)c2cccc(Cl)c21 1857554916 TWXCXOPGTMOCMO-UHFFFAOYSA-N 383.864 2.964 0 1 GFAF Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)N3CCOCC3)cc2)n1 1911584764 ONWUZLTWJSDCTN-UHFFFAOYSA-N 395.419 2.595 0 1 GFAF Cc1ccc(CCNC(=O)C2=CCN(S(=O)(=O)c3ccccc3)CC2)cc1 5107917 JPIKBECULZSTNG-UHFFFAOYSA-N 384.501 2.675 0 3 GFAF COc1cccc(CN2C[C@H](C(=O)N(C)Cc3nc(C)cs3)CCC2=O)c1 12709495 KUKSWXMQNLOAQC-MRXNPFEDSA-N 387.505 2.857 0 3 GFAF